Daily Papers

The rapid advancement of scientific progress requires innovative tools that can accelerate discovery. While recent AI methods, particularly large language models (LLMs), have shown promise in tasks such as hypothesis generation and experimental design, they fall short in replicating the collaborative nature of real-world scientific practices, where diverse teams of experts work together to tackle complex problems. To address the limitation, we propose an LLM-based multi-agent system, i.e., Virtual Scientists (VirSci), designed to mimic the teamwork inherent in scientific research. VirSci organizes a team of agents to collaboratively generate, evaluate, and refine research ideas. Through comprehensive experiments, we demonstrate that this multi-agent approach outperforms the state-of-the-art method in producing novel and impactful scientific ideas, showing potential in aligning with key insights in the Science of Science field. Our findings suggest that integrating collaborative agents can lead to more innovative scientific outputs, offering a robust system for autonomous scientific discovery.

Scientific knowledge is growing rapidly, making it challenging to track progress and high-level conceptual links across broad disciplines. While existing tools like citation networks and search engines make it easy to access a few related papers, they fundamentally lack the flexible abstraction needed to represent the density of activity in various scientific subfields. We motivate SCIENCE HIERARCHOGRAPHY, the goal of organizing scientific literature into a high-quality hierarchical structure that allows for the categorization of scientific work across varying levels of abstraction, from very broad fields to very specific studies. Such a representation can provide insights into which fields are well-explored and which are under-explored. To achieve the goals of SCIENCE HIERARCHOGRAPHY, we develop a range of algorithms. Our primary approach combines fast embedding-based clustering with LLM-based prompting to balance the computational efficiency of embedding methods with the semantic precision offered by LLM prompting. We demonstrate that this approach offers the best trade-off between quality and speed compared to methods that heavily rely on LLM prompting, such as iterative tree construction with LLMs. To better reflect the interdisciplinary and multifaceted nature of research papers, our hierarchy captures multiple dimensions of categorization beyond simple topic labels. We evaluate the utility of our framework by assessing how effectively an LLM-based agent can locate target papers using the hierarchy. Results show that this structured approach enhances interpretability, supports trend discovery, and offers an alternative pathway for exploring scientific literature beyond traditional search methods. Code, data and demo: https://github.com/JHU-CLSP/science-hierarchography{https://github.com/JHU-CLSP/science-hierarchography}

Generating novel and creative scientific hypotheses is a cornerstone in achieving Artificial General Intelligence. Large language and reasoning models have the potential to aid in the systematic creation, selection, and validation of scientifically informed hypotheses. However, current foundation models often struggle to produce scientific ideas that are both novel and feasible. One reason is the lack of a dedicated dataset that frames Scientific Hypothesis Generation (SHG) as a Natural Language Generation (NLG) task. In this paper, we introduce HypoGen, the first dataset of approximately 5500 structured problem-hypothesis pairs extracted from top-tier computer science conferences structured with a Bit-Flip-Spark schema, where the Bit is the conventional assumption, the Spark is the key insight or conceptual leap, and the Flip is the resulting counterproposal. HypoGen uniquely integrates an explicit Chain-of-Reasoning component that reflects the intellectual process from Bit to Flip. We demonstrate that framing hypothesis generation as conditional language modelling, with the model fine-tuned on Bit-Flip-Spark and the Chain-of-Reasoning (and where, at inference, we only provide the Bit), leads to improvements in the overall quality of the hypotheses. Our evaluation employs automated metrics and LLM judge rankings for overall quality assessment. We show that by fine-tuning on our HypoGen dataset we improve the novelty, feasibility, and overall quality of the generated hypotheses. The HypoGen dataset is publicly available at huggingface.co/datasets/UniverseTBD/hypogen-dr1.

The emergent phenomena of large foundation models have revolutionized natural language processing. However, evaluating these models presents significant challenges due to their size, capabilities, and deployment across diverse applications. Existing literature often focuses on individual aspects, such as benchmark performance or specific tasks, but fails to provide a cohesive process that integrates the nuances of diverse use cases with broader ethical and operational considerations. This work focuses on three key aspects: (1) Formalizing the Evaluation Process by providing a structured framework tailored to specific use-case contexts, (2) Offering Actionable Tools and Frameworks such as checklists and templates to ensure thorough, reproducible, and practical evaluations, and (3) Surveying Recent Work with a targeted review of advancements in LLM evaluation, emphasizing real-world applications.

The emergence of large language models (LLMs) has resulted in the production of LLM-generated texts that is highly sophisticated and almost indistinguishable from texts written by humans. However, this has also sparked concerns about the potential misuse of such texts, such as spreading misinformation and causing disruptions in the education system. Although many detection approaches have been proposed, a comprehensive understanding of the achievements and challenges is still lacking. This survey aims to provide an overview of existing LLM-generated text detection techniques and enhance the control and regulation of language generation models. Furthermore, we emphasize crucial considerations for future research, including the development of comprehensive evaluation metrics and the threat posed by open-source LLMs, to drive progress in the area of LLM-generated text detection.

Language models (LMs) have become ubiquitous in both NLP research and in commercial product offerings. As their commercial importance has surged, the most powerful models have become closed off, gated behind proprietary interfaces, with important details of their training data, architectures, and development undisclosed. Given the importance of these details in scientifically studying these models, including their biases and potential risks, we believe it is essential for the research community to have access to powerful, truly open LMs. To this end, this technical report details the first release of OLMo, a state-of-the-art, truly Open Language Model and its framework to build and study the science of language modeling. Unlike most prior efforts that have only released model weights and inference code, we release OLMo and the whole framework, including training data and training and evaluation code. We hope this release will empower and strengthen the open research community and inspire a new wave of innovation.

As machine learning systems become ubiquitous, there has been a surge of interest in interpretable machine learning: systems that provide explanation for their outputs. These explanations are often used to qualitatively assess other criteria such as safety or non-discrimination. However, despite the interest in interpretability, there is very little consensus on what interpretable machine learning is and how it should be measured. In this position paper, we first define interpretability and describe when interpretability is needed (and when it is not). Next, we suggest a taxonomy for rigorous evaluation and expose open questions towards a more rigorous science of interpretable machine learning.

This paper calls on the research community not only to investigate how human biases are inherited by large language models (LLMs) but also to explore how these biases in LLMs can be leveraged to make society's "unwritten code" - such as implicit stereotypes and heuristics - visible and accessible for critique. We introduce a conceptual framework through a case study in science: uncovering hidden rules in peer review - the factors that reviewers care about but rarely state explicitly due to normative scientific expectations. The idea of the framework is to push LLMs to speak out their heuristics through generating self-consistent hypotheses - why one paper appeared stronger in reviewer scoring - among paired papers submitted to 45 computer science conferences, while iteratively searching deeper hypotheses from remaining pairs where existing hypotheses cannot explain. We observed that LLMs' normative priors about the internal characteristics of good science extracted from their self-talk, e.g. theoretical rigor, were systematically updated toward posteriors that emphasize storytelling about external connections, such as how the work is positioned and connected within and across literatures. This shift reveals the primacy of scientific myths about intrinsic properties driving scientific excellence rather than extrinsic contextualization and storytelling that influence conceptions of relevance and significance. Human reviewers tend to explicitly reward aspects that moderately align with LLMs' normative priors (correlation = 0.49) but avoid articulating contextualization and storytelling posteriors in their review comments (correlation = -0.14), despite giving implicit reward to them with positive scores. We discuss the broad applicability of the framework, leveraging LLMs as diagnostic tools to surface the tacit codes underlying human society, enabling more precisely targeted responsible AI.

Science and Engineering fairs offer K-12 students opportunities to engage with authentic STEM practices. Particularly, students are given the chance to experience authentic and open inquiry processes, by defining which themes, questions and approaches will guide their scientific endeavors. In this study, we analyzed data from over 5,000 projects presented at a nationwide science fair in Brazil over the past 20 years using topic modeling to identify the main topics that have driven students' inquiry and design. Our analysis identified a broad range of topics being explored, with significant variations over time, region, and school setting. We argue those results and proposed methodology can not only support further research in the context of science fairs, but also inform instruction and design of contexts-specific resources to support students in open inquiry experiences in different settings.

Whether current or near-term AI systems could be conscious is a topic of scientific interest and increasing public concern. This report argues for, and exemplifies, a rigorous and empirically grounded approach to AI consciousness: assessing existing AI systems in detail, in light of our best-supported neuroscientific theories of consciousness. We survey several prominent scientific theories of consciousness, including recurrent processing theory, global workspace theory, higher-order theories, predictive processing, and attention schema theory. From these theories we derive "indicator properties" of consciousness, elucidated in computational terms that allow us to assess AI systems for these properties. We use these indicator properties to assess several recent AI systems, and we discuss how future systems might implement them. Our analysis suggests that no current AI systems are conscious, but also suggests that there are no obvious technical barriers to building AI systems which satisfy these indicators.

The research described in this paper concerns automatic cyberbullying detection in social media. There are two goals to achieve: building a gold standard cyberbullying detection dataset and measuring the performance of the Samurai cyberbullying detection system. The Formspring dataset provided in a Kaggle competition was re-annotated as a part of the research. The annotation procedure is described in detail and, unlike many other recent data annotation initiatives, does not use Mechanical Turk for finding people willing to perform the annotation. The new annotation compared to the old one seems to be more coherent since all tested cyberbullying detection system performed better on the former. The performance of the Samurai system is compared with 5 commercial systems and one well-known machine learning algorithm, used for classifying textual content, namely Fasttext. It turns out that Samurai scores the best in all measures (accuracy, precision and recall), while Fasttext is the second-best performing algorithm.

This paper explores the use of large language models (LLMs) as research tools in the history, philosophy, and sociology of science (HPSS). LLMs are remarkably effective at processing unstructured text and inferring meaning from context, offering new affordances that challenge long-standing divides between computational and interpretive methods. This raises both opportunities and challenges for HPSS, which emphasizes interpretive methodologies and understands meaning as context-dependent, ambiguous, and historically situated. We argue that HPSS is uniquely positioned not only to benefit from LLMs' capabilities but also to interrogate their epistemic assumptions and infrastructural implications. To this end, we first offer a concise primer on LLM architectures and training paradigms tailored to non-technical readers. We frame LLMs not as neutral tools but as epistemic infrastructures that encode assumptions about meaning, context, and similarity, conditioned by their training data, architecture, and patterns of use. We then examine how computational techniques enhanced by LLMs, such as structuring data, detecting patterns, and modeling dynamic processes, can be applied to support interpretive research in HPSS. Our analysis compares full-context and generative models, outlines strategies for domain and task adaptation (e.g., continued pretraining, fine-tuning, and retrieval-augmented generation), and evaluates their respective strengths and limitations for interpretive inquiry in HPSS. We conclude with four lessons for integrating LLMs into HPSS: (1) model selection involves interpretive trade-offs; (2) LLM literacy is foundational; (3) HPSS must define its own benchmarks and corpora; and (4) LLMs should enhance, not replace, interpretive methods.

This paper explores the potential of contextualized word embeddings (CWEs) as a new tool in the history, philosophy, and sociology of science (HPSS) for studying contextual and evolving meanings of scientific concepts. Using the term "Planck" as a test case, I evaluate five BERT-based models with varying degrees of domain-specific pretraining, including my custom model Astro-HEP-BERT, trained on the Astro-HEP Corpus, a dataset containing 21.84 million paragraphs from 600,000 articles in astrophysics and high-energy physics. For this analysis, I compiled two labeled datasets: (1) the Astro-HEP-Planck Corpus, consisting of 2,900 labeled occurrences of "Planck" sampled from 1,500 paragraphs in the Astro-HEP Corpus, and (2) a physics-related Wikipedia dataset comprising 1,186 labeled occurrences of "Planck" across 885 paragraphs. Results demonstrate that the domain-adapted models outperform the general-purpose ones in disambiguating the target term, predicting its known meanings, and generating high-quality sense clusters, as measured by a novel purity indicator I developed. Additionally, this approach reveals semantic shifts in the target term over three decades in the unlabeled Astro-HEP Corpus, highlighting the emergence of the Planck space mission as a dominant sense. The study underscores the importance of domain-specific pretraining for analyzing scientific language and demonstrates the cost-effectiveness of adapting pretrained models for HPSS research. By offering a scalable and transferable method for modeling the meanings of scientific concepts, CWEs open up new avenues for investigating the socio-historical dynamics of scientific discourses.

When answering a question, humans utilize the information available across different modalities to synthesize a consistent and complete chain of thought (CoT). This process is normally a black box in the case of deep learning models like large-scale language models. Recently, science question benchmarks have been used to diagnose the multi-hop reasoning ability and interpretability of an AI system. However, existing datasets fail to provide annotations for the answers, or are restricted to the textual-only modality, small scales, and limited domain diversity. To this end, we present Science Question Answering (ScienceQA), a new benchmark that consists of ~21k multimodal multiple choice questions with a diverse set of science topics and annotations of their answers with corresponding lectures and explanations. We further design language models to learn to generate lectures and explanations as the chain of thought (CoT) to mimic the multi-hop reasoning process when answering ScienceQA questions. ScienceQA demonstrates the utility of CoT in language models, as CoT improves the question answering performance by 1.20% in few-shot GPT-3 and 3.99% in fine-tuned UnifiedQA. We also explore the upper bound for models to leverage explanations by feeding those in the input; we observe that it improves the few-shot performance of GPT-3 by 18.96%. Our analysis further shows that language models, similar to humans, benefit from explanations to learn from fewer data and achieve the same performance with just 40% of the data. The data and code are available at https://scienceqa.github.io.

Machine learning is the science of credit assignment: finding patterns in observations that predict the consequences of actions and help to improve future performance. Credit assignment is also required for human understanding of how the world works, not only for individuals navigating daily life, but also for academic professionals like historians who interpret the present in light of past events. Here I focus on the history of modern artificial intelligence (AI) which is dominated by artificial neural networks (NNs) and deep learning, both conceptually closer to the old field of cybernetics than to what's been called AI since 1956 (e.g., expert systems and logic programming). A modern history of AI will emphasize breakthroughs outside of the focus of traditional AI text books, in particular, mathematical foundations of today's NNs such as the chain rule (1676), the first NNs (linear regression, circa 1800), and the first working deep learners (1965-). From the perspective of 2022, I provide a timeline of the -- in hindsight -- most important relevant events in the history of NNs, deep learning, AI, computer science, and mathematics in general, crediting those who laid foundations of the field. The text contains numerous hyperlinks to relevant overview sites from my AI Blog. It supplements my previous deep learning survey (2015) which provides hundreds of additional references. Finally, to round it off, I'll put things in a broader historic context spanning the time since the Big Bang until when the universe will be many times older than it is now.

In the development of science, accurate and reproducible documentation of the experimental process is crucial. Automatic recognition of the actions in experiments from videos would help experimenters by complementing the recording of experiments. Towards this goal, we propose FineBio, a new fine-grained video dataset of people performing biological experiments. The dataset consists of multi-view videos of 32 participants performing mock biological experiments with a total duration of 14.5 hours. One experiment forms a hierarchical structure, where a protocol consists of several steps, each further decomposed into a set of atomic operations. The uniqueness of biological experiments is that while they require strict adherence to steps described in each protocol, there is freedom in the order of atomic operations. We provide hierarchical annotation on protocols, steps, atomic operations, object locations, and their manipulation states, providing new challenges for structured activity understanding and hand-object interaction recognition. To find out challenges on activity understanding in biological experiments, we introduce baseline models and results on four different tasks, including (i) step segmentation, (ii) atomic operation detection (iii) object detection, and (iv) manipulated/affected object detection. Dataset and code are available from https://github.com/aistairc/FineBio.

There is a strong correlation between linguistics and artificial intelligence (AI), best manifested by deep learning language models. This study provides a thorough scientometric analysis of this correlation, synthesizing the intellectual production during 51 years, from 1974 to 2024. It involves 5750 Web of Science-indexed articles published in 2124 journals, which are written by 20835 authors belonging to 13773 research centers in 794 countries. Two powerful software, viz., CiteSpace and VOSviewer, were used to generate mapping visualizations of the intellectual landscape, trending issues and (re)emerging hotspots. The results indicate that in the 1980s and 1990s, linguistics and AI research was not robust, characterized by unstable publication over time. It has, however, witnessed a remarkable increase of publication since then, reaching 1478 articles in 2023, and 546 articles in January-March timespan in 2024, involving emerging issues and hotspots, addressing new horizons, new topics, and launching new applications and powerful deep learning language models including ChatGPT.

Deep learning foundation models are revolutionizing many facets of science by leveraging vast amounts of data to learn general-purpose representations that can be adapted to tackle diverse downstream tasks. Foundation models hold the promise to also transform our ability to model our planet and its subsystems by exploiting the vast expanse of Earth system data. Here we introduce Aurora, a large-scale foundation model of the atmosphere trained on over a million hours of diverse weather and climate data. Aurora leverages the strengths of the foundation modelling approach to produce operational forecasts for a wide variety of atmospheric prediction problems, including those with limited training data, heterogeneous variables, and extreme events. In under a minute, Aurora produces 5-day global air pollution predictions and 10-day high-resolution weather forecasts that outperform state-of-the-art classical simulation tools and the best specialized deep learning models. Taken together, these results indicate that foundation models can transform environmental forecasting.

Building extraction is an essential component of study in the science of remote sensing, and applications for building extraction heavily rely on semantic segmentation of high-resolution remote sensing imagery. Semantic information extraction gap constraints in the present deep learning based approaches, however can result in inadequate segmentation outcomes. To address this issue and extract buildings with high accuracy, various efficientNet backbone based U-Net++ has been proposed in this study. The designed network, based on U-Net, can improve the sensitivity of the model by deep supervision, voluminous redesigned skip-connections and hence reducing the influence of irrelevant feature areas in the background. Various effecientNet backbone based encoders have been employed when training the network to enhance the capacity of the model to extract more relevant feature. According on the experimental findings, the suggested model significantly outperforms previous cutting-edge approaches. Among the 5 efficientNet variation Unet++ based on efficientb4 achieved the best result by scoring mean accuracy of 92.23%, mean iou of 88.32%, and mean precision of 93.2% on publicly available Massachusetts building dataset and thus showing the promises of the model for automatic building extraction from high resolution satellite images.

Building on developments in machine learning and prior work in the science of judicial prediction, we construct a model designed to predict the behavior of the Supreme Court of the United States in a generalized, out-of-sample context. To do so, we develop a time evolving random forest classifier which leverages some unique feature engineering to predict more than 240,000 justice votes and 28,000 cases outcomes over nearly two centuries (1816-2015). Using only data available prior to decision, our model outperforms null (baseline) models at both the justice and case level under both parametric and non-parametric tests. Over nearly two centuries, we achieve 70.2% accuracy at the case outcome level and 71.9% at the justice vote level. More recently, over the past century, we outperform an in-sample optimized null model by nearly 5%. Our performance is consistent with, and improves on the general level of prediction demonstrated by prior work; however, our model is distinctive because it can be applied out-of-sample to the entire past and future of the Court, not a single term. Our results represent an important advance for the science of quantitative legal prediction and portend a range of other potential applications.

Safety and responsibility evaluations of advanced AI models are a critical but developing field of research and practice. In the development of Google DeepMind's advanced AI models, we innovated on and applied a broad set of approaches to safety evaluation. In this report, we summarise and share elements of our evolving approach as well as lessons learned for a broad audience. Key lessons learned include: First, theoretical underpinnings and frameworks are invaluable to organise the breadth of risk domains, modalities, forms, metrics, and goals. Second, theory and practice of safety evaluation development each benefit from collaboration to clarify goals, methods and challenges, and facilitate the transfer of insights between different stakeholders and disciplines. Third, similar key methods, lessons, and institutions apply across the range of concerns in responsibility and safety - including established and emerging harms. For this reason it is important that a wide range of actors working on safety evaluation and safety research communities work together to develop, refine and implement novel evaluation approaches and best practices, rather than operating in silos. The report concludes with outlining the clear need to rapidly advance the science of evaluations, to integrate new evaluations into the development and governance of AI, to establish scientifically-grounded norms and standards, and to promote a robust evaluation ecosystem.

Formulas involving fundamental mathematical constants had a great impact on various fields of science and mathematics, for example aiding in proofs of irrationality of constants. However, the discovery of such formulas has historically remained scarce, often perceived as an act of mathematical genius by great mathematicians such as Ramanujan, Euler, and Gauss. Recent efforts to automate the discovery of formulas for mathematical constants, such as the Ramanujan Machine project, relied on exhaustive search. Despite several successful discoveries, exhaustive search remains limited by the space of options that can be covered and by the need for vast amounts of computational resources. Here we propose a fundamentally different method to search for conjectures on mathematical constants: through analysis of integer sequences. We introduce the Enumerated Signed-continued-fraction Massey Approve (ESMA) algorithm, which builds on the Berlekamp-Massey algorithm to identify patterns in integer sequences that represent mathematical constants. The ESMA algorithm found various known formulas for e, e^2, tan(1), and ratios of values of Bessel functions. The algorithm further discovered a large number of new conjectures for these constants, some providing simpler representations and some providing faster numerical convergence than the corresponding simple continued fractions. Along with the algorithm, we present mathematical tools for manipulating continued fractions. These connections enable us to characterize what space of constants can be found by ESMA and quantify its algorithmic advantage in certain scenarios. Altogether, this work continues in the development of augmenting mathematical intuition by computer algorithms, to help reveal mathematical structures and accelerate mathematical research.

We introduce an effective strategy to generate an annotated synthetic dataset of microbiological images of Petri dishes that can be used to train deep learning models in a fully supervised fashion. The developed generator employs traditional computer vision algorithms together with a neural style transfer method for data augmentation. We show that the method is able to synthesize a dataset of realistic looking images that can be used to train a neural network model capable of localising, segmenting, and classifying five different microbial species. Our method requires significantly fewer resources to obtain a useful dataset than collecting and labeling a whole large set of real images with annotations. We show that starting with only 100 real images, we can generate data to train a detector that achieves comparable results (detection mAP = 0.416, and counting MAE = 4.49) to the same detector but trained on a real, several dozen times bigger dataset (mAP = 0.520, MAE = 4.31), containing over 7k images. We prove the usefulness of the method in microbe detection and segmentation, but we expect that it is general and flexible and can also be applicable in other domains of science and industry to detect various objects.

Large language models (LLMs) offer promise in generating educational content, providing instructor feedback, and reducing teacher workload on assessments. While prior studies have focused on studying LLM-powered learning analytics, limited research has examined how effective LLMs are in a bilingual context. In this paper, we study the effectiveness of multilingual large language models (MLLMs) across monolingual (English-only, Spanish-only) and bilingual (Spanglish) student writing. We present a learning analytics use case that details LLM performance in assessing acceptable and unacceptable explanations of Science and Social Science concepts. Our findings reveal a significant bias in the grading performance of pre-trained models for bilingual writing compared to English-only and Spanish-only writing. Following this, we fine-tune open-source MLLMs including Llama 3.1 and Mistral NeMo using synthetic datasets generated in English, Spanish, and Spanglish. Our experiments indicate that the models perform significantly better for all three languages after fine-tuning with bilingual data. This study highlights the potential of enhancing MLLM effectiveness to support authentic language practices amongst bilingual learners. It also aims to illustrate the value of incorporating non-English languages into the design and implementation of language models in education.

A comprehensive bibliographic review with R statistical methods of the COVID pandemic in PubMed literature and Web of Science Core Collection, supported with Google Scholar search. In addition, a case study review of emerging new approaches in different regions, using medical literature, academic literature, news articles and other reliable data sources. Public responses of mistrust about privacy data misuse differ across countries, depending on the chosen public communication strategy.

Language models have become a critical technology to tackling a wide range of natural language processing tasks, yet many details about how the best-performing language models were developed are not reported. In particular, information about their pretraining corpora is seldom discussed: commercial language models rarely provide any information about their data; even open models rarely release datasets they are trained on, or an exact recipe to reproduce them. As a result, it is challenging to conduct certain threads of language modeling research, such as understanding how training data impacts model capabilities and shapes their limitations. To facilitate open research on language model pretraining, we release Dolma, a three trillion tokens English corpus, built from a diverse mixture of web content, scientific papers, code, public-domain books, social media, and encyclopedic materials. In addition, we open source our data curation toolkit to enable further experimentation and reproduction of our work. In this report, we document Dolma, including its design principles, details about its construction, and a summary of its contents. We interleave this report with analyses and experimental results from training language models on intermediate states of Dolma to share what we have learned about important data curation practices, including the role of content or quality filters, deduplication, and multi-source mixing. Dolma has been used to train OLMo, a state-of-the-art, open language model and framework designed to build and study the science of language modeling.

Scientific innovation is undergoing a paradigm shift driven by the rapid advancement of Large Language Models (LLMs). As science faces mounting challenges including information overload, disciplinary silos, and diminishing returns on conventional research methods, LLMs are emerging as powerful agents capable not only of enhancing scientific workflows but also of participating in and potentially leading the innovation process. Existing surveys mainly focus on different perspectives, phrases, and tasks in scientific research and discovery, while they have limitations in understanding the transformative potential and role differentiation of LLM. This survey proposes a comprehensive framework to categorize the evolving roles of LLMs in scientific innovation across three hierarchical levels: Evaluator, Collaborator, and Scientist. We distinguish between LLMs' contributions to structured scientific research processes and open-ended scientific discovery, thereby offering a unified taxonomy that clarifies capability boundaries, evaluation criteria, and human-AI interaction patterns at each level. Through an extensive analysis of current methodologies, benchmarks, systems, and evaluation metrics, this survey delivers an in-depth and systematic synthesis on LLM-driven scientific innovation. We present LLMs not only as tools for automating existing processes, but also as catalysts capable of reshaping the epistemological foundations of science itself. This survey offers conceptual clarity, practical guidance, and theoretical foundations for future research, while also highlighting open challenges and ethical considerations in the pursuit of increasingly autonomous AI-driven science. Resources related to this survey can be accessed on GitHub at: https://github.com/haoxuan-unt2024/llm4innovation.

I present Astro-HEP-BERT, a transformer-based language model specifically designed for generating contextualized word embeddings (CWEs) to study the meanings of concepts in astrophysics and high-energy physics. Built on a general pretrained BERT model, Astro-HEP-BERT underwent further training over three epochs using the Astro-HEP Corpus, a dataset I curated from 21.84 million paragraphs extracted from more than 600,000 scholarly articles on arXiv, all belonging to at least one of these two scientific domains. The project demonstrates both the effectiveness and feasibility of adapting a bidirectional transformer for applications in the history, philosophy, and sociology of science (HPSS). The entire training process was conducted using freely available code, pretrained weights, and text inputs, completed on a single MacBook Pro Laptop (M2/96GB). Preliminary evaluations indicate that Astro-HEP-BERT's CWEs perform comparably to domain-adapted BERT models trained from scratch on larger datasets for domain-specific word sense disambiguation and induction and related semantic change analyses. This suggests that retraining general language models for specific scientific domains can be a cost-effective and efficient strategy for HPSS researchers, enabling high performance without the need for extensive training from scratch.

In this article, we conduct data mining to discover the countries, universities and companies, produced or collaborated the most research on Covid-19 since the pandemic started. We present some interesting findings, but despite analysing all available records on COVID-19 from the Web of Science Core Collection, we failed to reach any significant conclusions on how the world responded to the COVID-19 pandemic. Therefore, we increased our analysis to include all available data records on pandemics and epidemics from 1900 to 2020. We discover some interesting results on countries, universities and companies, that produced collaborated most the most in research on pandemic and epidemics. Then we compared the results with the analysing on COVID-19 data records. This has created some interesting findings that are explained and graphically visualised in the article.

The science of fractography revolves around the correlation between topographic characteristics of the fracture surface and the mechanisms and external conditions leading to their creation. While being a topic of investigation for centuries, it has remained mostly qualitative to date. A quantitative analysis of fracture surfaces is of prime interest for both the scientific community and the industrial sector, bearing the potential for improved understanding on the mechanisms controlling the fracture process and at the same time assessing the reliability of computational models currently being used for material design. With new advances in the field of image analysis, and specifically with machine learning tools becoming more accessible and reliable, it is now feasible to automate the process of extracting meaningful information from fracture surface images. Here, we propose a method of identifying and quantifying the relative appearance of intergranular and transgranular fracture events from scanning electron microscope images. The newly proposed method is based on a convolutional neural network algorithm for semantic segmentation. The proposed method is extensively tested and evaluated against two ceramic material systems (Al_2O_3,MgAl_2O_4) and shows high prediction accuracy, despite being trained on only one material system (MgAl_2O_4). While here attention is focused on brittle fracture characteristics, the method can be easily extended to account for other fracture morphologies, such as dimples, fatigue striations, etc.

Large language models (LLMs) trained on huge corpora of text datasets demonstrate intriguing capabilities, achieving state-of-the-art performance on tasks they were not explicitly trained for. The precise nature of LLM capabilities is often mysterious, and different prompts can elicit different capabilities through in-context learning. We propose a framework that enables us to analyze in-context learning dynamics to understand latent concepts underlying LLMs' behavioral patterns. This provides a more nuanced understanding than success-or-failure evaluation benchmarks, but does not require observing internal activations as a mechanistic interpretation of circuits would. Inspired by the cognitive science of human randomness perception, we use random binary sequences as context and study dynamics of in-context learning by manipulating properties of context data, such as sequence length. In the latest GPT-3.5+ models, we find emergent abilities to generate seemingly random numbers and learn basic formal languages, with striking in-context learning dynamics where model outputs transition sharply from seemingly random behaviors to deterministic repetition.

Agency is a system's capacity to steer outcomes toward a goal, and is a central topic of study across biology, philosophy, cognitive science, and artificial intelligence. Determining if a system exhibits agency is a notoriously difficult question: Dennett (1989), for instance, highlights the puzzle of determining which principles can decide whether a rock, a thermostat, or a robot each possess agency. We here address this puzzle from the viewpoint of reinforcement learning by arguing that agency is fundamentally frame-dependent: Any measurement of a system's agency must be made relative to a reference frame. We support this claim by presenting a philosophical argument that each of the essential properties of agency proposed by Barandiaran et al. (2009) and Moreno (2018) are themselves frame-dependent. We conclude that any basic science of agency requires frame-dependence, and discuss the implications of this claim for reinforcement learning.

We survey a current, heated debate in the AI research community on whether large pre-trained language models can be said to "understand" language -- and the physical and social situations language encodes -- in any important sense. We describe arguments that have been made for and against such understanding, and key questions for the broader sciences of intelligence that have arisen in light of these arguments. We contend that a new science of intelligence can be developed that will provide insight into distinct modes of understanding, their strengths and limitations, and the challenge of integrating diverse forms of cognition.

Background: Human Emotion Recognition (HER) has been a popular field of study in the past years. Despite the great progresses made so far, relatively little attention has been paid to the use of HER in autism. People with autism are known to face problems with daily social communication and the prototypical interpretation of emotional responses, which are most frequently exerted via facial expressions. This poses significant practical challenges to the application of regular HER systems, which are normally developed for and by neurotypical people. Objective: This study reviews the literature on the use of HER systems in autism, particularly with respect to sensing technologies and machine learning methods, as to identify existing barriers and possible future directions. Methods: We conducted a systematic review of articles published between January 2011 and June 2023 according to the 2020 PRISMA guidelines. Manuscripts were identified through searching Web of Science and Scopus databases. Manuscripts were included when related to emotion recognition, used sensors and machine learning techniques, and involved children with autism, young, or adults. Results: The search yielded 346 articles. A total of 65 publications met the eligibility criteria and were included in the review. Conclusions: Studies predominantly used facial expression techniques as the emotion recognition method. Consequently, video cameras were the most widely used devices across studies, although a growing trend in the use of physiological sensors was observed lately. Happiness, sadness, anger, fear, disgust, and surprise were most frequently addressed. Classical supervised machine learning techniques were primarily used at the expense of unsupervised approaches or more recent deep learning models.

In recent years, ML researchers have wrestled with defining and improving machine learning (ML) benchmarks and datasets. In parallel, some have trained a critical lens on the ethics of dataset creation and ML research. In this position paper, we highlight the entanglement of ethics with seemingly ``technical'' or ``scientific'' decisions about the design of ML benchmarks. Our starting point is the existence of multiple overlooked structural similarities between human intelligence benchmarks and ML benchmarks. Both types of benchmarks set standards for describing, evaluating, and comparing performance on tasks relevant to intelligence -- standards that many scholars of human intelligence have long recognized as value-laden. We use perspectives from feminist philosophy of science on IQ benchmarks and thick concepts in social science to argue that values need to be considered and documented when creating ML benchmarks. It is neither possible nor desirable to avoid this choice by creating value-neutral benchmarks. Finally, we outline practical recommendations for ML benchmark research ethics and ethics review.

A central challenge to many fields of science and engineering involves minimizing non-convex error functions over continuous, high dimensional spaces. Gradient descent or quasi-Newton methods are almost ubiquitously used to perform such minimizations, and it is often thought that a main source of difficulty for the ability of these local methods to find the global minimum is the proliferation of local minima with much higher error than the global minimum. Here we argue, based on results from statistical physics, random matrix theory, and neural network theory, that a deeper and more profound difficulty originates from the proliferation of saddle points, not local minima, especially in high dimensional problems of practical interest. Such saddle points are surrounded by high error plateaus that can dramatically slow down learning, and give the illusory impression of the existence of a local minimum. Motivated by these arguments, we propose a new algorithm, the saddle-free Newton method, that can rapidly escape high dimensional saddle points, unlike gradient descent and quasi-Newton methods. We apply this algorithm to deep neural network training, and provide preliminary numerical evidence for its superior performance.

Graphs have often been used to answer questions about the interaction between real-world entities by taking advantage of their capacity to represent complex topologies. Complex networks are known to be graphs that capture such non-trivial topologies; they are able to represent human phenomena such as epidemic processes, the dynamics of populations, and the urbanization of cities. The investigation of complex networks has been extrapolated to many fields of science, with particular emphasis on computing techniques, including artificial intelligence. In such a case, the analysis of the interaction between entities of interest is transposed to the internal learning of algorithms, a paradigm whose investigation is able to expand the state of the art in Computer Science. By exploring this paradigm, this thesis puts together complex networks and machine learning techniques to improve the understanding of the human phenomena observed in pandemics, pendular migration, and street networks. Accordingly, we contribute with: (i) a new neural network architecture capable of modeling dynamic processes observed in spatial and temporal data with applications in epidemics propagation, weather forecasting, and patient monitoring in intensive care units; (ii) a machine-learning methodology for analyzing and predicting links in the scope of human mobility between all the cities of Brazil; and, (iii) techniques for identifying inconsistencies in the urban planning of cities while tracking the most influential vertices, with applications over Brazilian and worldwide cities. We obtained results sustained by sound evidence of advances to the state of the art in artificial intelligence, rigorous formalisms, and ample experimentation. Our findings rely upon real-world applications in a range of domains, demonstrating the applicability of our methodologies.

To understand the risks posed by a new AI system, we must understand what it can and cannot do. Building on prior work, we introduce a programme of new "dangerous capability" evaluations and pilot them on Gemini 1.0 models. Our evaluations cover four areas: (1) persuasion and deception; (2) cyber-security; (3) self-proliferation; and (4) self-reasoning. We do not find evidence of strong dangerous capabilities in the models we evaluated, but we flag early warning signs. Our goal is to help advance a rigorous science of dangerous capability evaluation, in preparation for future models.

Location Intelligence (LI), the science of transforming location-centric geospatial data into actionable knowledge, has become a cornerstone of modern spatial decision-making. The rapid evolution of Geospatial Representation Learning is fundamentally reshaping LI development through two successive technological revolutions: the deep learning breakthrough and the emerging large language model (LLM) paradigm. While deep neural networks (DNNs) have demonstrated remarkable success in automated feature extraction from structured geospatial data (e.g., satellite imagery, GPS trajectories), the recent integration of LLMs introduces transformative capabilities for cross-modal geospatial reasoning and unstructured geo-textual data processing. This survey presents a comprehensive review of geospatial representation learning across both technological eras, organizing them into a structured taxonomy based on the complete pipeline comprising: (1) data perspective, (2) methodological perspective and (3) application perspective. We also highlight current advancements, discuss existing limitations, and propose potential future research directions in the LLM era. This work offers a thorough exploration of the field and providing a roadmap for further innovation in LI. The summary of the up-to-date paper list can be found in https://github.com/CityMind-Lab/Awesome-Location-Intelligence and will undergo continuous updates.

Machine learning (ML) enabled classification models are becoming increasingly popular for tackling the sheer volume and speed of online misinformation and other content that could be identified as harmful. In building these models, data scientists need to take a stance on the legitimacy, authoritativeness and objectivity of the sources of ``truth" used for model training and testing. This has political, ethical and epistemic implications which are rarely addressed in technical papers. Despite (and due to) their reported high accuracy and performance, ML-driven moderation systems have the potential to shape online public debate and create downstream negative impacts such as undue censorship and the reinforcing of false beliefs. Using collaborative ethnography and theoretical insights from social studies of science and expertise, we offer a critical analysis of the process of building ML models for (mis)information classification: we identify a series of algorithmic contingencies--key moments during model development that could lead to different future outcomes, uncertainty and harmful effects as these tools are deployed by social media platforms. We conclude by offering a tentative path toward reflexive and responsible development of ML tools for moderating misinformation and other harmful content online.

In recent years, developing compact and efficient large language models (LLMs) has emerged as a thriving area of research. Traditional Supervised Fine-Tuning (SFT), which relies on singular ground truth labels, often fails to capture token-level dependencies and linguistic diversity. To address these limitations, we propose a logits-based fine-tuning framework that integrates the strengths of supervised learning and knowledge distillation. Our approach constructs enriched training targets by combining teacher logits with ground truth labels, preserving both correctness and linguistic diversity. This ensures more reliable and effective training. We constructed a large-scale 1.2M logits dataset and trained a series of science-focused models. Experimental results demonstrate that our method achieves significant improvements, with accuracy gains of 18% on Mawps and 22.7% on TabMWP. Across nine widely used mathematical benchmarks, our method consistently outperforms prior SFT models, achieving an average improvement of 7.28%. Codes are available at https://github.com/dvlab-research/Logits-Based-Finetuning.

Open-weight AI systems offer unique benefits, including enhanced transparency, open research, and decentralized access. However, they are vulnerable to tampering attacks which can efficiently elicit harmful behaviors by modifying weights or activations. Currently, there is not yet a robust science of open-weight model risk management. Existing safety fine-tuning methods and other post-training techniques have struggled to make LLMs resistant to more than a few dozen steps of adversarial fine-tuning. In this paper, we investigate whether filtering text about dual-use topics from training data can prevent unwanted capabilities and serve as a more tamper-resistant safeguard. We introduce a multi-stage pipeline for scalable data filtering and show that it offers a tractable and effective method for minimizing biothreat proxy knowledge in LLMs. We pretrain multiple 6.9B-parameter models from scratch and find that they exhibit substantial resistance to adversarial fine-tuning attacks on up to 10,000 steps and 300M tokens of biothreat-related text -- outperforming existing post-training baselines by over an order of magnitude -- with no observed degradation to unrelated capabilities. However, while filtered models lack internalized dangerous knowledge, we find that they can still leverage such information when it is provided in context (e.g., via search tool augmentation), demonstrating a need for a defense-in-depth approach. Overall, these findings help to establish pretraining data curation as a promising layer of defense for open-weight AI systems.

Reinforcement learning from human feedback (RLHF) has become an important technical and storytelling tool to deploy the latest machine learning systems. In this book, we hope to give a gentle introduction to the core methods for people with some level of quantitative background. The book starts with the origins of RLHF -- both in recent literature and in a convergence of disparate fields of science in economics, philosophy, and optimal control. We then set the stage with definitions, problem formulation, data collection, and other common math used in the literature. The core of the book details every optimization stage in using RLHF, from starting with instruction tuning to training a reward model and finally all of rejection sampling, reinforcement learning, and direct alignment algorithms. The book concludes with advanced topics -- understudied research questions in synthetic data and evaluation -- and open questions for the field.

In the era of big and ubiquitous data, professionals and students alike are finding themselves needing to perform a number of textual analysis tasks. Historically, the general lack of statistical expertise and programming skills has stopped many with humanities or social sciences backgrounds from performing and fully benefiting from such analyses. Thus, we introduce Coconut Libtool (www.coconut-libtool.com/), an open-source, web-based application that utilizes state-of-the-art natural language processing (NLP) technologies. Coconut Libtool analyzes text data from customized files and bibliographic databases such as Web of Science, Scopus, and Lens. Users can verify which functions can be performed with the data they have. Coconut Libtool deploys multiple algorithmic NLP techniques at the backend, including topic modeling (LDA, Biterm, and BERTopic algorithms), network graph visualization, keyword lemmatization, and sunburst visualization. Coconut Libtool is the people-first web application designed to be used by professionals, researchers, and students in the information sciences, digital humanities, and computational social sciences domains to promote transparency, reproducibility, accessibility, reciprocity, and responsibility in research practices.

Understanding the internal representations learned by neural networks is a cornerstone challenge in the science of machine learning. While there have been significant recent strides in some cases towards understanding how neural networks implement specific target functions, this paper explores a complementary question -- why do networks arrive at particular computational strategies? Our inquiry focuses on the algebraic learning tasks of modular addition, sparse parities, and finite group operations. Our primary theoretical findings analytically characterize the features learned by stylized neural networks for these algebraic tasks. Notably, our main technique demonstrates how the principle of margin maximization alone can be used to fully specify the features learned by the network. Specifically, we prove that the trained networks utilize Fourier features to perform modular addition and employ features corresponding to irreducible group-theoretic representations to perform compositions in general groups, aligning closely with the empirical observations of Nanda et al. and Chughtai et al. More generally, we hope our techniques can help to foster a deeper understanding of why neural networks adopt specific computational strategies.

Hierarchical Text Classification (HTC) is a natural language processing task with the objective to classify text documents into a set of classes from a structured class hierarchy. Many HTC approaches have been proposed which attempt to leverage the class hierarchy information in various ways to improve classification performance. Machine learning-based classification approaches require large amounts of training data and are most-commonly compared through three established benchmark datasets, which include the Web Of Science (WOS), Reuters Corpus Volume 1 Version 2 (RCV1-V2) and New York Times (NYT) datasets. However, apart from the RCV1-V2 dataset which is well-documented, these datasets are not accompanied with detailed description methodologies. In this paper, we introduce three new HTC benchmark datasets in the domain of research publications which comprise the titles and abstracts of papers from the Web of Science publication database. We first create two baseline datasets which use existing journal-and citation-based classification schemas. Due to the respective shortcomings of these two existing schemas, we propose an approach which combines their classifications to improve the reliability and robustness of the dataset. We evaluate the three created datasets with a clustering-based analysis and show that our proposed approach results in a higher quality dataset where documents that belong to the same class are semantically more similar compared to the other datasets. Finally, we provide the classification performance of four state-of-the-art HTC approaches on these three new datasets to provide baselines for future studies on machine learning-based techniques for scientific publication classification.

In a recent paper, Erasmus et al. (2021) defend the idea that the ambiguity of the term "explanation" in explainable AI (XAI) can be solved by adopting any of four different extant accounts of explanation in the philosophy of science: the Deductive Nomological, Inductive Statistical, Causal Mechanical, and New Mechanist models. In this chapter, I show that the authors' claim that these accounts can be applied to deep neural networks as they would to any natural phenomenon is mistaken. I also provide a more general argument as to why the notion of explainability as it is currently used in the XAI literature bears little resemblance to the traditional concept of scientific explanation. It would be more fruitful to use the label "understandable AI" to avoid the confusion that surrounds the goal and purposes of XAI. In the second half of the chapter, I argue for a pragmatic conception of understanding that is better suited to play the central role attributed to explanation in XAI. Following Kuorikoski & Ylikoski (2015), the conditions of satisfaction for understanding an ML system are fleshed out in terms of an agent's success in using the system, in drawing correct inferences from it.

To balance quality and cost, various domain areas of science and engineering run simulations at multiple levels of sophistication. Multi-fidelity active learning aims to learn a direct mapping from input parameters to simulation outputs at the highest fidelity by actively acquiring data from multiple fidelity levels. However, existing approaches based on Gaussian processes are hardly scalable to high-dimensional data. Deep learning-based methods often impose a hierarchical structure in hidden representations, which only supports passing information from low-fidelity to high-fidelity. These approaches can lead to the undesirable propagation of errors from low-fidelity representations to high-fidelity ones. We propose a novel framework called Disentangled Multi-fidelity Deep Bayesian Active Learning (D-MFDAL), which learns the surrogate models conditioned on the distribution of functions at multiple fidelities. On benchmark tasks of learning deep surrogates of partial differential equations including heat equation, Poisson's equation and fluid simulations, our approach significantly outperforms state-of-the-art in prediction accuracy and sample efficiency.

As a seemingly self-explanatory task, problem-solving has been a significant component of science and engineering. However, a general yet concrete formulation of problem-solving itself is missing. With the recent development of AI-based problem-solving agents, the demand for process-level verifiability is rapidly increasing yet underexplored. To fill these gaps, we present a principled formulation of problem-solving as a deterministic Markov decision process; a novel framework, FPS (Formal Problem-Solving), which utilizes existing FTP (formal theorem proving) environments to perform process-verified problem-solving; and D-FPS (Deductive FPS), decoupling solving and answer verification for better human-alignment. The expressiveness, soundness and completeness of the frameworks are proven. We construct three benchmarks on problem-solving: FormalMath500, a formalization of a subset of the MATH500 benchmark; MiniF2F-Solving and PutnamBench-Solving, adaptations of FTP benchmarks MiniF2F and PutnamBench. For faithful, interpretable, and human-aligned evaluation, we propose RPE (Restricted Propositional Equivalence), a symbolic approach to determine the correctness of answers by formal verification. We evaluate four prevalent FTP models and two prompting methods as baselines, solving at most 23.77% of FormalMath500, 27.47% of MiniF2F-Solving, and 0.31% of PutnamBench-Solving.

A Lie group is an old mathematical abstract object dating back to the XIX century, when mathematician Sophus Lie laid the foundations of the theory of continuous transformation groups. As it often happens, its usage has spread over diverse areas of science and technology many years later. In robotics, we are recently experiencing an important trend in its usage, at least in the fields of estimation, and particularly in motion estimation for navigation. Yet for a vast majority of roboticians, Lie groups are highly abstract constructions and therefore difficult to understand and to use. This may be due to the fact that most of the literature on Lie theory is written by and for mathematicians and physicists, who might be more used than us to the deep abstractions this theory deals with. In estimation for robotics it is often not necessary to exploit the full capacity of the theory, and therefore an effort of selection of materials is required. In this paper, we will walk through the most basic principles of the Lie theory, with the aim of conveying clear and useful ideas, and leave a significant corpus of the Lie theory behind. Even with this mutilation, the material included here has proven to be extremely useful in modern estimation algorithms for robotics, especially in the fields of SLAM, visual odometry, and the like. Alongside this micro Lie theory, we provide a chapter with a few application examples, and a vast reference of formulas for the major Lie groups used in robotics, including most jacobian matrices and the way to easily manipulate them. We also present a new C++ template-only library implementing all the functionality described here.

Couples' relationships affect the physical health and emotional well-being of partners. Automatically recognizing each partner's emotions could give a better understanding of their individual emotional well-being, enable interventions and provide clinical benefits. In the paper, we summarize and synthesize works that have focused on developing and evaluating systems to automatically recognize the emotions of each partner based on couples' interaction or conversation contexts. We identified 28 articles from IEEE, ACM, Web of Science, and Google Scholar that were published between 2010 and 2021. We detail the datasets, features, algorithms, evaluation, and results of each work as well as present main themes. We also discuss current challenges, research gaps and propose future research directions. In summary, most works have used audio data collected from the lab with annotations done by external experts and used supervised machine learning approaches for binary classification of positive and negative affect. Performance results leave room for improvement with significant research gaps such as no recognition using data from daily life. This survey will enable new researchers to get an overview of this field and eventually enable the development of emotion recognition systems to inform interventions to improve the emotional well-being of couples.

In this paper we address the challenge of extracting scientific references from patents. We approach the problem as a sequence labelling task and investigate the merits of BERT models to the extraction of these long sequences. References in patents to scientific literature are relevant to study the connection between science and industry. Most prior work only uses the front-page citations for this analysis, which are provided in the metadata of patent archives. In this paper we build on prior work using Conditional Random Fields (CRF) and Flair for reference extraction. We improve the quality of the training data and train three BERT-based models on the labelled data (BERT, bioBERT, sciBERT). We find that the improved training data leads to a large improvement in the quality of the trained models. In addition, the BERT models beat CRF and Flair, with recall scores around 97% obtained with cross validation. With the best model we label a large collection of 33 thousand patents, extract the citations, and match them to publications in the Web of Science database. We extract 50% more references than with the old training data and methods: 735 thousand references in total. With these patent-publication links, follow-up research will further analyze which types of scientific work lead to inventions.

Recent breakthroughs in large language models (LLMs) offer unprecedented natural language understanding and generation capabilities. However, existing surveys on LLMs in biomedicine often focus on specific applications or model architectures, lacking a comprehensive analysis that integrates the latest advancements across various biomedical domains. This review, based on an analysis of 484 publications sourced from databases including PubMed, Web of Science, and arXiv, provides an in-depth examination of the current landscape, applications, challenges, and prospects of LLMs in biomedicine, distinguishing itself by focusing on the practical implications of these models in real-world biomedical contexts. Firstly, we explore the capabilities of LLMs in zero-shot learning across a broad spectrum of biomedical tasks, including diagnostic assistance, drug discovery, and personalized medicine, among others, with insights drawn from 137 key studies. Then, we discuss adaptation strategies of LLMs, including fine-tuning methods for both uni-modal and multi-modal LLMs to enhance their performance in specialized biomedical contexts where zero-shot fails to achieve, such as medical question answering and efficient processing of biomedical literature. Finally, we discuss the challenges that LLMs face in the biomedicine domain including data privacy concerns, limited model interpretability, issues with dataset quality, and ethics due to the sensitive nature of biomedical data, the need for highly reliable model outputs, and the ethical implications of deploying AI in healthcare. To address these challenges, we also identify future research directions of LLM in biomedicine including federated learning methods to preserve data privacy and integrating explainable AI methodologies to enhance the transparency of LLMs.

The Apache Point Observatory Galactic Evolution Experiment (APOGEE), one of the programs in the Sloan Digital Sky Survey III (SDSS-III), has now completed its systematic, homogeneous spectroscopic survey sampling all major populations of the Milky Way. After a three year observing campaign on the Sloan 2.5-m Telescope, APOGEE has collected a half million high resolution (R~22,500), high S/N (>100), infrared (1.51-1.70 microns) spectra for 146,000 stars, with time series information via repeat visits to most of these stars. This paper describes the motivations for the survey and its overall design---hardware, field placement, target selection, operations---and gives an overview of these aspects as well as the data reduction, analysis and products. An index is also given to the complement of technical papers that describe various critical survey components in detail. Finally, we discuss the achieved survey performance and illustrate the variety of potential uses of the data products by way of a number of science demonstrations, which span from time series analysis of stellar spectral variations and radial velocity variations from stellar companions, to spatial maps of kinematics, metallicity and abundance patterns across the Galaxy and as a function of age, to new views of the interstellar medium, the chemistry of star clusters, and the discovery of rare stellar species. As part of SDSS-III Data Release 12, all of the APOGEE data products are now publicly available.

Modern climate projections lack adequate spatial and temporal resolution due to computational constraints. A consequence is inaccurate and imprecise predictions of critical processes such as storms. Hybrid methods that combine physics with machine learning (ML) have introduced a new generation of higher fidelity climate simulators that can sidestep Moore's Law by outsourcing compute-hungry, short, high-resolution simulations to ML emulators. However, this hybrid ML-physics simulation approach requires domain-specific treatment and has been inaccessible to ML experts because of lack of training data and relevant, easy-to-use workflows. We present ClimSim, the largest-ever dataset designed for hybrid ML-physics research. It comprises multi-scale climate simulations, developed by a consortium of climate scientists and ML researchers. It consists of 5.7 billion pairs of multivariate input and output vectors that isolate the influence of locally-nested, high-resolution, high-fidelity physics on a host climate simulator's macro-scale physical state. The dataset is global in coverage, spans multiple years at high sampling frequency, and is designed such that resulting emulators are compatible with downstream coupling into operational climate simulators. We implement a range of deterministic and stochastic regression baselines to highlight the ML challenges and their scoring. The data (https://huggingface.co/datasets/LEAP/ClimSim_high-res, https://huggingface.co/datasets/LEAP/ClimSim_low-res, and https://huggingface.co/datasets/LEAP/ClimSim_low-res_aqua-planet) and code (https://leap-stc.github.io/ClimSim) are released openly to support the development of hybrid ML-physics and high-fidelity climate simulations for the benefit of science and society.

The Ultraviolet Near-Infrared Optical Northern Survey (UNIONS) is a "collaboration of collaborations" that is using the Canada-France-Hawai'i Telescope, the Pan-STARRS telescopes, and the Subaru Observatory to obtain ugriz images of a core survey region of 6250 deg^2 of the northern sky. The 10sigma point source depth of the data, as measured within a 2-arcsecond diameter aperture, are [u,g,r,i,z] = [23.7, 24.5, 24.2, 23.8, 23.3]\ in AB magnitudes. UNIONS is addressing some of the most fundamental questions in astronomy, including the properties of dark matter, the growth of structure in the Universe from the very smallest galaxies to large-scale structure, and the assembly of the Milky Way. It is set to become the major ground-based legacy survey for the northern hemisphere for the next decade and provides an essential northern complement to the static-sky science of the Vera C. Rubin Observatory's Legacy Survey of Space and Time. UNIONS supports the core science mission of the {\it Euclid} space mission by providing the data necessary in the northern hemisphere for the calibration of the wavelength dependence of the {\it Euclid} point-spread function and derivation of photometric redshifts in the North Galactic Cap. This region contains the highest quality sky for {\it Euclid}, with low backgrounds from the zodiacal light, stellar density, extinction, and emission from Galactic cirrus. Here, we describe the UNIONS survey components, science goals, data products, and the current status of the overall program.

In the field of environmental science, it is crucial to have robust evaluation metrics for large language models to ensure their efficacy and accuracy. We propose EnviroExam, a comprehensive evaluation method designed to assess the knowledge of large language models in the field of environmental science. EnviroExam is based on the curricula of top international universities, covering undergraduate, master's, and doctoral courses, and includes 936 questions across 42 core courses. By conducting 0-shot and 5-shot tests on 31 open-source large language models, EnviroExam reveals the performance differences among these models in the domain of environmental science and provides detailed evaluation standards. The results show that 61.3% of the models passed the 5-shot tests, while 48.39% passed the 0-shot tests. By introducing the coefficient of variation as an indicator, we evaluate the performance of mainstream open-source large language models in environmental science from multiple perspectives, providing effective criteria for selecting and fine-tuning language models in this field. Future research will involve constructing more domain-specific test sets using specialized environmental science textbooks to further enhance the accuracy and specificity of the evaluation.

We present a catalog of 34 new candidate (13 high confidence) isolated, young stellar systems within the Virgo galaxy cluster identified through a citizen science search of public optical and ultraviolet imaging. "Blue blobs" are a class of blue, faint, isolated, extremely low stellar mass, and metal-rich star-forming clouds embedded in the hot intracluster medium of the Virgo cluster. Only six blue blobs were known previously and here we confirm an additional six of our candidates through velocity and metallicity measurements from follow-up optical spectroscopy on the Hobby-Eberly Telescope (HET). Our 13 high confidence candidates (including the six confirmed) have properties consistent with prior known blue blobs and are inconsistent with being low-mass galaxies. Most candidates are concentrated in relatively dense regions, roughly following filamentary structures within the cluster, but avoiding its center. Three of our candidates are likely the stellar counterparts of known 'optically dark' clouds of neutral hydrogen in the cluster, while a further four are widely separated extensions to previously known blue blobs. The properties of our new candidates are consistent with previous conclusions that blue blobs likely originated from ram pressure stripping events, however, their locations in velocity--projected cluster-centric radius phase-space imply that their parent galaxies are not on their first infall into the cluster. Through our ongoing follow-up program with HET we aim to confirm additional candidates, however, detailed understanding of the stellar populations and star formation histories of blue blobs will require JWST observations.

Public trust in science depends on honest and factual communication of scientific papers. However, recent studies have demonstrated a tendency of news media to misrepresent scientific papers by exaggerating their findings. Given this, we present a formalization of and study into the problem of exaggeration detection in science communication. While there are an abundance of scientific papers and popular media articles written about them, very rarely do the articles include a direct link to the original paper, making data collection challenging. We address this by curating a set of labeled press release/abstract pairs from existing expert annotated studies on exaggeration in press releases of scientific papers suitable for benchmarking the performance of machine learning models on the task. Using limited data from this and previous studies on exaggeration detection in science, we introduce MT-PET, a multi-task version of Pattern Exploiting Training (PET), which leverages knowledge from complementary cloze-style QA tasks to improve few-shot learning. We demonstrate that MT-PET outperforms PET and supervised learning both when data is limited, as well as when there is an abundance of data for the main task.

The realm of data science, once reserved for specialists, is undergoing a revolution with the rapid emergence of generative AI, particularly through tools like ChatGPT. This paper posits ChatGPT as a pivotal bridge, drastically lowering the steep learning curve traditionally associated with complex data analysis. By generating intuitive data narratives and offering real-time assistance, ChatGPT democratizes the field, enabling a wider audience to glean insights from intricate datasets. A notable illustration of this transformative potential is provided through the examination of a synthetically generated telematics dataset, wherein ChatGPT aids in distilling complex patterns and insights. However, the journey to democratization is not without its hurdles. The paper delves into challenges presented by such AI, from potential biases in analysis to ChatGPT's limited reasoning capabilities. While the promise of a democratized data science landscape beckons, it is imperative to approach this transition with caution, cognizance, and an ever-evolving understanding of the tool's capabilities and constraints.

DBLP is the largest open-access repository of scientific articles on computer science and provides metadata associated with publications, authors, and venues. We retrieved more than 6 million publications from DBLP and extracted pertinent metadata (e.g., abstracts, author affiliations, citations) from the publication texts to create the DBLP Discovery Dataset (D3). D3 can be used to identify trends in research activity, productivity, focus, bias, accessibility, and impact of computer science research. We present an initial analysis focused on the volume of computer science research (e.g., number of papers, authors, research activity), trends in topics of interest, and citation patterns. Our findings show that computer science is a growing research field (approx. 15% annually), with an active and collaborative researcher community. While papers in recent years present more bibliographical entries in comparison to previous decades, the average number of citations has been declining. Investigating papers' abstracts reveals that recent topic trends are clearly reflected in D3. Finally, we list further applications of D3 and pose supplemental research questions. The D3 dataset, our findings, and source code are publicly available for research purposes.

Assessing the reproducibility of social science papers is essential for promoting rigor in research processes, but manual assessment is costly. With recent advances in agentic AI systems (i.e., AI agents), we seek to evaluate their capability to automate this process. However, existing benchmarks for reproducing research papers (1) focus solely on reproducing results using provided code and data without assessing their consistency with the paper, (2) oversimplify real-world scenarios, and (3) lack necessary diversity in data formats and programming languages. To address these issues, we introduce REPRO-Bench, a collection of 112 task instances, each representing a social science paper with a publicly available reproduction report. The agents are tasked with assessing the reproducibility of the paper based on the original paper PDF and the corresponding reproduction package. REPRO-Bench features end-to-end evaluation tasks on the reproducibility of social science papers with complexity comparable to real-world assessments. We evaluate three representative AI agents on REPRO-Bench, with the best-performing agent achieving an accuracy of only 21.4%. Building on our empirical analysis, we develop REPRO-Agent, which improves the highest accuracy achieved by existing agents by 71%. We conclude that more advanced AI agents should be developed to automate real-world reproducibility assessment. REPRO-Bench is publicly available at https://github.com/uiuc-kang-lab/REPRO-Bench.

Large Language Models (LLMs) are reshaping many aspects of materials science and chemistry research, enabling advances in molecular property prediction, materials design, scientific automation, knowledge extraction, and more. Recent developments demonstrate that the latest class of models are able to integrate structured and unstructured data, assist in hypothesis generation, and streamline research workflows. To explore the frontier of LLM capabilities across the research lifecycle, we review applications of LLMs through 34 total projects developed during the second annual Large Language Model Hackathon for Applications in Materials Science and Chemistry, a global hybrid event. These projects spanned seven key research areas: (1) molecular and material property prediction, (2) molecular and material design, (3) automation and novel interfaces, (4) scientific communication and education, (5) research data management and automation, (6) hypothesis generation and evaluation, and (7) knowledge extraction and reasoning from the scientific literature. Collectively, these applications illustrate how LLMs serve as versatile predictive models, platforms for rapid prototyping of domain-specific tools, and much more. In particular, improvements in both open source and proprietary LLM performance through the addition of reasoning, additional training data, and new techniques have expanded effectiveness, particularly in low-data environments and interdisciplinary research. As LLMs continue to improve, their integration into scientific workflows presents both new opportunities and new challenges, requiring ongoing exploration, continued refinement, and further research to address reliability, interpretability, and reproducibility.

The increasing complexity of computer science research projects demands more effective tools for deploying code repositories. Large Language Models (LLMs), such as Anthropic Claude and Meta Llama, have demonstrated significant advancements across various fields of computer science research, including the automation of diverse software engineering tasks. To evaluate the effectiveness of LLMs in handling complex code development tasks of research projects, particularly for NLP/CV/AI/ML/DM topics, we introduce CSR-Bench, a benchmark for Computer Science Research projects. This benchmark assesses LLMs from various aspects including accuracy, efficiency, and deployment script quality, aiming to explore their potential in conducting computer science research autonomously. We also introduce a novel framework, CSR-Agents, that utilizes multiple LLM agents to automate the deployment of GitHub code repositories of computer science research projects. Specifically, by checking instructions from markdown files and interpreting repository structures, the model generates and iteratively improves bash commands that set up the experimental environments and deploy the code to conduct research tasks. Preliminary results from CSR-Bench indicate that LLM agents can significantly enhance the workflow of repository deployment, thereby boosting developer productivity and improving the management of developmental workflows.

In the domain of data science, the predictive tasks of classification, regression, and imputation of missing values are commonly encountered challenges associated with tabular data. This research endeavors to apply Large Language Models (LLMs) towards addressing these predictive tasks. Despite their proficiency in comprehending natural language, LLMs fall short in dealing with structured tabular data. This limitation stems from their lacking exposure to the intricacies of tabular data during their foundational training. Our research aims to mitigate this gap by compiling a comprehensive corpus of tables annotated with instructions and executing large-scale training of Llama-2 on this enriched dataset. Furthermore, we investigate the practical application of applying the trained model to zero-shot prediction, few-shot prediction, and in-context learning scenarios. Through extensive experiments, our methodology has shown significant improvements over existing benchmarks. These advancements highlight the efficacy of tailoring LLM training to solve table-related problems in data science, thereby establishing a new benchmark in the utilization of LLMs for enhancing tabular intelligence.

In the field of Computer Science, conference and workshop papers serve as important contributions, carrying substantial weight in research assessment processes, compared to other disciplines. However, a considerable number of these papers are not assigned a Digital Object Identifier (DOI), hence their citations are not reported in widely used citation datasets like OpenCitations and Crossref, raising limitations to citation analysis. While the Microsoft Academic Graph (MAG) previously addressed this issue by providing substantial coverage, its discontinuation has created a void in available data. BIP! NDR aims to alleviate this issue and enhance the research assessment processes within the field of Computer Science. To accomplish this, it leverages a workflow that identifies and retrieves Open Science papers lacking DOIs from the DBLP Corpus, and by performing text analysis, it extracts citation information directly from their full text. The current version of the dataset contains more than 510K citations made by approximately 60K open access Computer Science conference or workshop papers that, according to DBLP, do not have a DOI.

In computational social science (CSS), researchers analyze documents to explain social and political phenomena. In most scenarios, CSS researchers first obtain labels for documents and then explain labels using interpretable regression analyses in the second step. One increasingly common way to annotate documents cheaply at scale is through large language models (LLMs). However, like other scalable ways of producing annotations, such surrogate labels are often imperfect and biased. We present a new algorithm for using imperfect annotation surrogates for downstream statistical analyses while guaranteeing statistical properties -- like asymptotic unbiasedness and proper uncertainty quantification -- which are fundamental to CSS research. We show that direct use of surrogate labels in downstream statistical analyses leads to substantial bias and invalid confidence intervals, even with high surrogate accuracy of 80-90%. To address this, we build on debiased machine learning to propose the design-based supervised learning (DSL) estimator. DSL employs a doubly-robust procedure to combine surrogate labels with a smaller number of high-quality, gold-standard labels. Our approach guarantees valid inference for downstream statistical analyses, even when surrogates are arbitrarily biased and without requiring stringent assumptions, by controlling the probability of sampling documents for gold-standard labeling. Both our theoretical analysis and experimental results show that DSL provides valid statistical inference while achieving root mean squared errors comparable to existing alternatives that focus only on prediction without inferential guarantees.

Scientific reasoning is critical for developing AI scientists and supporting human researchers in advancing the frontiers of natural science discovery. However, the open-source community has primarily focused on mathematics and coding while neglecting the scientific domain, largely due to the absence of open, large-scale, high-quality, verifiable scientific reasoning datasets. To bridge this gap, we first present TextbookReasoning, an open dataset featuring truthful reference answers extracted from 12k university-level scientific textbooks, comprising 650k reasoning questions spanning 7 scientific disciplines. We further introduce MegaScience, a large-scale mixture of high-quality open-source datasets totaling 1.25 million instances, developed through systematic ablation studies that evaluate various data selection methodologies to identify the optimal subset for each publicly available scientific dataset. Meanwhile, we build a comprehensive evaluation system covering diverse subjects and question types across 15 benchmarks, incorporating comprehensive answer extraction strategies to ensure accurate evaluation metrics. Our experiments demonstrate that our datasets achieve superior performance and training efficiency with more concise response lengths compared to existing open-source scientific datasets. Furthermore, we train Llama3.1, Qwen2.5, and Qwen3 series base models on MegaScience, which significantly outperform the corresponding official instruct models in average performance. In addition, MegaScience exhibits greater effectiveness for larger and stronger models, suggesting a scaling benefit for scientific tuning. We release our data curation pipeline, evaluation system, datasets, and seven trained models to the community to advance scientific reasoning research.

Artificial intelligence is gradually demonstrating its immense potential, and increasing attention is being given to how AI can be harnessed to advance scientific research. In this vision paper, we present our perspectives on how AI can better assist scientific inquiry and explore corresponding technical approach. We have proposed and open-sourced a large model of our KALE-LM model series, Llama3-KALE-LM-Chem-8B, which has achieved outstanding performance in tasks related to the field of chemistry. We hope that our work serves as a strong starting point, helping to realize more intelligent AI and promoting the advancement of human science and technology, as well as societal development.

The rapid advances of large language models (LLMs), such as ChatGPT, are revolutionizing data science and statistics. These state-of-the-art tools can streamline complex processes. As a result, it reshapes the role of data scientists. We argue that LLMs are transforming the responsibilities of data scientists, shifting their focus from hands-on coding, data-wrangling and conducting standard analyses to assessing and managing analyses performed by these automated AIs. This evolution of roles is reminiscent of the transition from a software engineer to a product manager. We illustrate this transition with concrete data science case studies using LLMs in this paper. These developments necessitate a meaningful evolution in data science education. Pedagogy must now place greater emphasis on cultivating diverse skillsets among students, such as LLM-informed creativity, critical thinking, AI-guided programming. LLMs can also play a significant role in the classroom as interactive teaching and learning tools, contributing to personalized education. This paper discusses the opportunities, resources and open challenges for each of these directions. As with any transformative technology, integrating LLMs into education calls for careful consideration. While LLMs can perform repetitive tasks efficiently, it's crucial to remember that their role is to supplement human intelligence and creativity, not to replace it. Therefore, the new era of data science education should balance the benefits of LLMs while fostering complementary human expertise and innovations. In conclusion, the rise of LLMs heralds a transformative period for data science and its education. This paper seeks to shed light on the emerging trends, potential opportunities, and challenges accompanying this paradigm shift, hoping to spark further discourse and investigation into this exciting, uncharted territory.

Large language models (LLMs) have recently demonstrated a remarkable ability to generate code from natural language (NL) prompts. However, in the real world, NL is often too ambiguous to capture the true intent behind programming problems, requiring additional input-output (I/O) specifications. Unfortunately, LLMs can have difficulty aligning their outputs with both the NL prompt and the I/O specification. In this paper, we give a way to mitigate this issue in the context of data science programming, where tasks require explicit I/O specifications for clarity. Specifically, we propose GIFT4Code, a novel approach for the instruction fine-tuning of LLMs with respect to I/O specifications. Our method leverages synthetic data produced by the LLM itself and utilizes execution-derived feedback as a key learning signal. This feedback, in the form of program I/O specifications, is provided to the LLM to facilitate instruction fine-tuning. We evaluated our approach on two challenging data science benchmarks, Arcade and DS-1000. The results demonstrate a significant improvement in the LLM's ability to generate code that is not only executable but also accurately aligned with user specifications, substantially improving the quality of code generation for complex data science tasks.

The adoption of Large Language Models (LLMs) for code generation in data science offers substantial potential for enhancing tasks such as data manipulation, statistical analysis, and visualization. However, the effectiveness of these models in the data science domain remains underexplored. This paper presents a controlled experiment that empirically assesses the performance of four leading LLM-based AI assistants-Microsoft Copilot (GPT-4 Turbo), ChatGPT (o1-preview), Claude (3.5 Sonnet), and Perplexity Labs (Llama-3.1-70b-instruct)-on a diverse set of data science coding challenges sourced from the Stratacratch platform. Using the Goal-Question-Metric (GQM) approach, we evaluated each model's effectiveness across task types (Analytical, Algorithm, Visualization) and varying difficulty levels. Our findings reveal that all models exceeded a 50% baseline success rate, confirming their capability beyond random chance. Notably, only ChatGPT and Claude achieved success rates significantly above a 60% baseline, though none of the models reached a 70% threshold, indicating limitations in higher standards. ChatGPT demonstrated consistent performance across varying difficulty levels, while Claude's success rate fluctuated with task complexity. Hypothesis testing indicates that task type does not significantly impact success rate overall. For analytical tasks, efficiency analysis shows no significant differences in execution times, though ChatGPT tended to be slower and less predictable despite high success rates. This study provides a structured, empirical evaluation of LLMs in data science, delivering insights that support informed model selection tailored to specific task demands. Our findings establish a framework for future AI assessments, emphasizing the value of rigorous evaluation beyond basic accuracy measures.

Word embeddings are an essential instrument in many NLP tasks. Most available resources are trained on general language from Web corpora or Wikipedia dumps. However, word embeddings for domain-specific language are rare, in particular for the social science domain. Therefore, in this work, we describe the creation and evaluation of word embedding models based on 37,604 open-access social science research papers. In the evaluation, we compare domain-specific and general language models for (i) language coverage, (ii) diversity, and (iii) semantic relationships. We found that the created domain-specific model, even with a relatively small vocabulary size, covers a large part of social science concepts, their neighborhoods are diverse in comparison to more general models. Across all relation types, we found a more extensive coverage of semantic relationships.

The development of speech foundation models (SFMs) like Whisper and SeamlessM4T has significantly advanced the field of speech processing. However, their closed nature--with inaccessible training data and code--poses major reproducibility and fair evaluation challenges. While other domains have made substantial progress toward open science by developing fully transparent models trained on open-source (OS) code and data, similar efforts in speech remain limited. To fill this gap, we introduce FAMA, the first family of open science SFMs for English and Italian, trained on 150k+ hours of OS speech data. Moreover, we present a new dataset containing 16k hours of cleaned and pseudo-labeled speech for both languages. Results show that FAMA achieves competitive performance compared to existing SFMs while being up to 8 times faster. All artifacts, including code, datasets, and models, are released under OS-compliant licenses, promoting openness in speech technology research.

Computer Science (CS) stands as a testament to the intricacies of human intelligence, profoundly advancing the development of artificial intelligence and modern society. However, the current community of large language models (LLMs) overly focuses on benchmarks for analyzing specific foundational skills (e.g. mathematics and code generation), neglecting an all-round evaluation of the computer science field. To bridge this gap, we introduce CS-Bench, the first bilingual (Chinese-English) benchmark dedicated to evaluating the performance of LLMs in computer science. CS-Bench comprises approximately 5K meticulously curated test samples, covering 26 subfields across 4 key areas of computer science, encompassing various task forms and divisions of knowledge and reasoning. Utilizing CS-Bench, we conduct a comprehensive evaluation of over 30 mainstream LLMs, revealing the relationship between CS performance and model scales. We also quantitatively analyze the reasons for failures in existing LLMs and highlight directions for improvements, including knowledge supplementation and CS-specific reasoning. Further cross-capability experiments show a high correlation between LLMs' capabilities in computer science and their abilities in mathematics and coding. Moreover, expert LLMs specialized in mathematics and coding also demonstrate strong performances in several CS subfields. Looking ahead, we envision CS-Bench serving as a cornerstone for LLM applications in the CS field and paving new avenues in assessing LLMs' diverse reasoning capabilities. The CS-Bench data and evaluation code are available at https://github.com/csbench/csbench.

Large Language Models (LLMs) like ChatGPT are capable of successfully performing many language processing tasks zero-shot (without the need for training data). If this capacity also applies to the coding of social phenomena like persuasiveness and political ideology, then LLMs could effectively transform Computational Social Science (CSS). This work provides a road map for using LLMs as CSS tools. Towards this end, we contribute a set of prompting best practices and an extensive evaluation pipeline to measure the zero-shot performance of 13 language models on 24 representative CSS benchmarks. On taxonomic labeling tasks (classification), LLMs fail to outperform the best fine-tuned models but still achieve fair levels of agreement with humans. On free-form coding tasks (generation), LLMs produce explanations that often exceed the quality of crowdworkers' gold references. We conclude that today's LLMs can radically augment the CSS research pipeline in two ways: (1) serving as zero-shot data annotators on human annotation teams, and (2) bootstrapping challenging creative generation tasks (e.g., explaining the hidden meaning behind text). In summary, LLMs can significantly reduce costs and increase efficiency of social science analysis in partnership with humans.

Data science and engineering workflows often span multiple stages, from warehousing to orchestration, using tools like BigQuery, dbt, and Airbyte. As vision language models (VLMs) advance in multimodal understanding and code generation, VLM-based agents could potentially automate these workflows by generating SQL queries, Python code, and GUI operations. This automation can improve the productivity of experts while democratizing access to large-scale data analysis. In this paper, we introduce Spider2-V, the first multimodal agent benchmark focusing on professional data science and engineering workflows, featuring 494 real-world tasks in authentic computer environments and incorporating 20 enterprise-level professional applications. These tasks, derived from real-world use cases, evaluate the ability of a multimodal agent to perform data-related tasks by writing code and managing the GUI in enterprise data software systems. To balance realistic simulation with evaluation simplicity, we devote significant effort to developing automatic configurations for task setup and carefully crafting evaluation metrics for each task. Furthermore, we supplement multimodal agents with comprehensive documents of these enterprise data software systems. Our empirical evaluation reveals that existing state-of-the-art LLM/VLM-based agents do not reliably automate full data workflows (14.0% success). Even with step-by-step guidance, these agents still underperform in tasks that require fine-grained, knowledge-intensive GUI actions (16.2%) and involve remote cloud-hosted workspaces (10.6%). We hope that Spider2-V paves the way for autonomous multimodal agents to transform the automation of data science and engineering workflow. Our code and data are available at https://spider2-v.github.io.

Large Language Models (LLMs) have exhibited remarkable capabilities in understanding and interacting with natural language across various sectors. However, their effectiveness is limited in specialized areas requiring high accuracy, such as plant science, due to a lack of specific expertise in these fields. This paper introduces PLLaMa, an open-source language model that evolved from LLaMa-2. It's enhanced with a comprehensive database, comprising more than 1.5 million scholarly articles in plant science. This development significantly enriches PLLaMa with extensive knowledge and proficiency in plant and agricultural sciences. Our initial tests, involving specific datasets related to plants and agriculture, show that PLLaMa substantially improves its understanding of plant science-related topics. Moreover, we have formed an international panel of professionals, including plant scientists, agricultural engineers, and plant breeders. This team plays a crucial role in verifying the accuracy of PLLaMa's responses to various academic inquiries, ensuring its effective and reliable application in the field. To support further research and development, we have made the model's checkpoints and source codes accessible to the scientific community. These resources are available for download at https://github.com/Xianjun-Yang/PLLaMa.

Solving the inverse problem is the key step in evaluating the capacity of a physical model to describe real phenomena. In medical image computing, it aligns with the classical theme of image-based model personalization. Traditionally, a solution to the problem is obtained by performing either sampling or variational inference based methods. Both approaches aim to identify a set of free physical model parameters that results in a simulation best matching an empirical observation. When applied to brain tumor modeling, one of the instances of image-based model personalization in medical image computing, the overarching drawback of the methods is the time complexity for finding such a set. In a clinical setting with limited time between imaging and diagnosis or even intervention, this time complexity may prove critical. As the history of quantitative science is the history of compression, we align in this paper with the historical tendency and propose a method compressing complex traditional strategies for solving an inverse problem into a simple database query task. We evaluated different ways of performing the database query task assessing the trade-off between accuracy and execution time. On the exemplary task of brain tumor growth modeling, we prove that the proposed method achieves one order speed-up compared to existing approaches for solving the inverse problem. The resulting compute time offers critical means for relying on more complex and, hence, realistic models, for integrating image preprocessing and inverse modeling even deeper, or for implementing the current model into a clinical workflow.

Advancements in Large Language Models (LLMs) drive interest in scientific applications, necessitating specialized benchmarks such as Earth science. Existing benchmarks either present a general science focus devoid of Earth science specificity or cover isolated subdomains, lacking holistic evaluation. Furthermore, current benchmarks typically neglect the assessment of LLMs' capabilities in open-ended scientific exploration. In this paper, we present a comprehensive and professional benchmark for the Earth sciences, designed to evaluate the capabilities of LLMs in scientific exploration within this domain, spanning from fundamental to advanced levels. Leveraging a corpus of 100,000 research papers, we first construct two Question Answering (QA) datasets: Earth-Iron, which offers extensive question coverage for broad assessment, and Earth-Silver, which features a higher level of difficulty to evaluate professional depth. These datasets encompass five Earth spheres, 114 disciplines, and 11 task categories, assessing foundational knowledge crucial for scientific exploration. Most notably, we introduce Earth-Gold with new metrics, a dataset comprising open-ended multi-turn dialogues specifically designed to evaluate the advanced capabilities of LLMs in scientific exploration, including methodology induction, limitation analysis, and concept proposal. Extensive experiments reveal limitations in 11 leading LLMs across different domains and tasks, highlighting considerable room for improvement in their scientific exploration capabilities. The benchmark is available on https://huggingface.co/ai-earth .

Topological data analysis (TDA) is an area of data science that focuses on using invariants from algebraic topology to provide multiscale shape descriptors for geometric data sets such as point clouds. One of the most important such descriptors is {\em persistent homology}, which encodes the change in shape as a filtration parameter changes; a typical parameter is the feature scale. For many data sets, it is useful to simultaneously vary multiple filtration parameters, for example feature scale and density. While the theoretical properties of single parameter persistent homology are well understood, less is known about the multiparameter case. In particular, a central question is the problem of representing multiparameter persistent homology by elements of a vector space for integration with standard machine learning algorithms. Existing approaches to this problem either ignore most of the multiparameter information to reduce to the one-parameter case or are heuristic and potentially unstable in the face of noise. In this article, we introduce a new general representation framework that leverages recent results on {\em decompositions} of multiparameter persistent homology. This framework is rich in information, fast to compute, and encompasses previous approaches. Moreover, we establish theoretical stability guarantees under this framework as well as efficient algorithms for practical computation, making this framework an applicable and versatile tool for analyzing geometric and point cloud data. We validate our stability results and algorithms with numerical experiments that demonstrate statistical convergence, prediction accuracy, and fast running times on several real data sets.

At face value, this essay is about understanding a fairly esoteric governance tool called compute thresholds. However, in order to grapple with whether these thresholds will achieve anything, we must first understand how they came to be. This requires engaging with a decades-old debate at the heart of computer science progress, namely, is bigger always better? Hence, this essay may be of interest not only to policymakers and the wider public but also to computer scientists interested in understanding the role of compute in unlocking breakthroughs. Does a certain inflection point of compute result in changes to the risk profile of a model? This discussion is increasingly urgent given the wide adoption of governance approaches that suggest greater compute equates with higher propensity for harm. Several leading frontier AI companies have released responsible scaling policies. Both the White House Executive Orders on AI Safety (EO) and the EU AI Act encode the use of FLOP or floating-point operations as a way to identify more powerful systems. What is striking about the choice of compute thresholds to-date is that no models currently deployed in the wild fulfill the current criteria set by the EO. This implies that the emphasis is often not on auditing the risks and harms incurred by currently deployed models - but rather is based upon the belief that future levels of compute will introduce unforeseen new risks. A key conclusion of this essay is that compute thresholds as currently implemented are shortsighted and likely to fail to mitigate risk. Governance that is overly reliant on compute fails to understand that the relationship between compute and risk is highly uncertain and rapidly changing. It also overestimates our ability to predict what abilities emerge at different scales. This essay ends with recommendations for a better way forward.

During the evolution of large models, performance evaluation is necessarily performed to assess their capabilities and ensure safety before practical application. However, current model evaluations mainly rely on specific tasks and datasets, lacking a united framework for assessing the multidimensional intelligence of large models. In this perspective, we advocate for a comprehensive framework of cognitive science-inspired artificial general intelligence (AGI) tests, aimed at fulfilling the testing needs of large models with enhanced capabilities. The cognitive science-inspired AGI tests encompass the full spectrum of intelligence facets, including crystallized intelligence, fluid intelligence, social intelligence, and embodied intelligence. To assess the multidimensional intelligence of large models, the AGI tests consist of a battery of well-designed cognitive tests adopted from human intelligence tests, and then naturally encapsulates into an immersive virtual community. We propose increasing the complexity of AGI testing tasks commensurate with advancements in large models and emphasizing the necessity for the interpretation of test results to avoid false negatives and false positives. We believe that cognitive science-inspired AGI tests will effectively guide the targeted improvement of large models in specific dimensions of intelligence and accelerate the integration of large models into human society.

The rapid expansion of scientific literature in computer science presents challenges in tracking research trends and extracting key insights. Existing datasets provide metadata but lack structured summaries that capture core contributions and methodologies. We introduce CS-PaperSum, a large-scale dataset of 91,919 papers from 31 top-tier computer science conferences, enriched with AI-generated structured summaries using ChatGPT. To assess summary quality, we conduct embedding alignment analysis and keyword overlap analysis, demonstrating strong preservation of key concepts. We further present a case study on AI research trends, highlighting shifts in methodologies and interdisciplinary crossovers, including the rise of self-supervised learning, retrieval-augmented generation, and multimodal AI. Our dataset enables automated literature analysis, research trend forecasting, and AI-driven scientific discovery, providing a valuable resource for researchers, policymakers, and scientific information retrieval systems.

Since ChatGPT works so well, are we on the cusp of solving science with AI? Is not AlphaFold2 suggestive that the potential of LLMs in biology and the sciences more broadly is limitless? Can we use AI itself to bridge the lack of data in the sciences in order to then train an AI? Herein we present a discussion of these topics.

Automatic summarisation is a popular approach to reduce a document to its main arguments. Recent research in the area has focused on neural approaches to summarisation, which can be very data-hungry. However, few large datasets exist and none for the traditionally popular domain of scientific publications, which opens up challenging research avenues centered on encoding large, complex documents. In this paper, we introduce a new dataset for summarisation of computer science publications by exploiting a large resource of author provided summaries and show straightforward ways of extending it further. We develop models on the dataset making use of both neural sentence encoding and traditionally used summarisation features and show that models which encode sentences as well as their local and global context perform best, significantly outperforming well-established baseline methods.

Existing information on AI-based facial emotion recognition (FER) is not easily comprehensible by those outside the field of computer science, requiring cross-disciplinary effort to determine a categorisation framework that promotes the understanding of this technology, and its impact on users. Most proponents classify FER in terms of methodology, implementation and analysis; relatively few by its application in education; and none by its users. This paper is concerned primarily with (potential) teacher-users of FER tools for education. It proposes a three-part classification of these teachers, by orientation, condition and preference, based on a classical taxonomy of affective educational objectives, and related theories. It also compiles and organises the types of FER solutions found in or inferred from the literature into "technology" and "applications" categories, as a prerequisite for structuring the proposed "teacher-user" category. This work has implications for proponents', critics', and users' understanding of the relationship between teachers and FER.

The Athena mission entered a redefinition phase in July 2022, driven by the imperative to reduce the mission cost at completion for the European Space Agency below an acceptable target, while maintaining the flagship nature of its science return. This notably called for a complete redesign of the X-ray Integral Field Unit (X-IFU) cryogenic architecture towards a simpler active cooling chain. Passive cooling via successive radiative panels at spacecraft level is now used to provide a 50 K thermal environment to an X-IFU owned cryostat. 4.5 K cooling is achieved via a single remote active cryocooler unit, while a multi-stage Adiabatic Demagnetization Refrigerator ensures heat lift down to the 50 mK required by the detectors. Amidst these changes, the core concept of the readout chain remains robust, employing Transition Edge Sensor microcalorimeters and a SQUID-based Time-Division Multiplexing scheme. Noteworthy is the introduction of a slower pixel. This enables an increase in the multiplexing factor (from 34 to 48) without compromising the instrument energy resolution, hence keeping significant system margins to the new 4 eV resolution requirement. This allows reducing the number of channels by more than a factor two, and thus the resource demands on the system, while keeping a 4' field of view (compared to 5' before). In this article, we will give an overview of this new architecture, before detailing its anticipated performances. Finally, we will present the new X-IFU schedule, with its short term focus on demonstration activities towards a mission adoption in early 2027.

We introduce InternVL3, a significant advancement in the InternVL series featuring a native multimodal pre-training paradigm. Rather than adapting a text-only large language model (LLM) into a multimodal large language model (MLLM) that supports visual inputs, InternVL3 jointly acquires multimodal and linguistic capabilities from both diverse multimodal data and pure-text corpora during a single pre-training stage. This unified training paradigm effectively addresses the complexities and alignment challenges commonly encountered in conventional post-hoc training pipelines for MLLMs. To further improve performance and scalability, InternVL3 incorporates variable visual position encoding (V2PE) to support extended multimodal contexts, employs advanced post-training techniques such as supervised fine-tuning (SFT) and mixed preference optimization (MPO), and adopts test-time scaling strategies alongside an optimized training infrastructure. Extensive empirical evaluations demonstrate that InternVL3 delivers superior performance across a wide range of multi-modal tasks. In particular, InternVL3-78B achieves a score of 72.2 on the MMMU benchmark, setting a new state-of-the-art among open-source MLLMs. Its capabilities remain highly competitive with leading proprietary models, including ChatGPT-4o, Claude 3.5 Sonnet, and Gemini 2.5 Pro, while also maintaining strong pure-language proficiency. In pursuit of open-science principles, we will publicly release both the training data and model weights to foster further research and development in next-generation MLLMs.

In the rapidly evolving landscape of AI research and application, Multimodal Large Language Models (MLLMs) have emerged as a transformative force, adept at interpreting and integrating information from diverse modalities such as text, images, and Graphical User Interfaces (GUIs). Despite these advancements, the nuanced interaction and understanding of GUIs pose a significant challenge, limiting the potential of existing models to enhance automation levels. To bridge this gap, this paper presents V-Zen, an innovative Multimodal Large Language Model (MLLM) meticulously crafted to revolutionise the domain of GUI understanding and grounding. Equipped with dual-resolution image encoders, V-Zen establishes new benchmarks in efficient grounding and next-action prediction, thereby laying the groundwork for self-operating computer systems. Complementing V-Zen is the GUIDE dataset, an extensive collection of real-world GUI elements and task-based sequences, serving as a catalyst for specialised fine-tuning. The successful integration of V-Zen and GUIDE marks the dawn of a new era in multimodal AI research, opening the door to intelligent, autonomous computing experiences. This paper extends an invitation to the research community to join this exciting journey, shaping the future of GUI automation. In the spirit of open science, our code, data, and model will be made publicly available, paving the way for multimodal dialogue scenarios with intricate and precise interactions.

Modularization is a cornerstone of computer science, abstracting complex functions into atomic building blocks. In this paper, we introduce a new level of modularization by abstracting generative models into atomic generative modules. Analogous to fractals in mathematics, our method constructs a new type of generative model by recursively invoking atomic generative modules, resulting in self-similar fractal architectures that we call fractal generative models. As a running example, we instantiate our fractal framework using autoregressive models as the atomic generative modules and examine it on the challenging task of pixel-by-pixel image generation, demonstrating strong performance in both likelihood estimation and generation quality. We hope this work could open a new paradigm in generative modeling and provide a fertile ground for future research. Code is available at https://github.com/LTH14/fractalgen.

Constructing real-world data-to-insight pipelines often involves data extraction from data lakes, data integration across heterogeneous data sources, and diverse operations from data cleaning to analysis. The design and implementation of data science pipelines require domain knowledge, technical expertise, and even project-specific insights. AI systems have shown remarkable reasoning, coding, and understanding capabilities. However, it remains unclear to what extent these capabilities translate into successful design and execution of such complex pipelines. We introduce KRAMABENCH: a benchmark composed of 104 manually-curated real-world data science pipelines spanning 1700 data files from 24 data sources in 6 different domains. We show that these pipelines test the end-to-end capabilities of AI systems on data processing, requiring data discovery, wrangling and cleaning, efficient processing, statistical reasoning, and orchestrating data processing steps given a high-level task. Our evaluation tests 5 general models and 3 code generation models using our reference framework, DS-GURU, which instructs the AI model to decompose a question into a sequence of subtasks, reason through each step, and synthesize Python code that implements the proposed design. Our results on KRAMABENCH show that, although the models are sufficiently capable of solving well-specified data science code generation tasks, when extensive data processing and domain knowledge are required to construct real-world data science pipelines, existing out-of-box models fall short. Progress on KramaBench represents crucial steps towards developing autonomous data science agents for real-world applications. Our code, reference framework, and data are available at https://github.com/mitdbg/KramaBench.

The ever-increasing number of materials science articles makes it hard to infer chemistry-structure-property relations from published literature. We used natural language processing (NLP) methods to automatically extract material property data from the abstracts of polymer literature. As a component of our pipeline, we trained MaterialsBERT, a language model, using 2.4 million materials science abstracts, which outperforms other baseline models in three out of five named entity recognition datasets when used as the encoder for text. Using this pipeline, we obtained ~300,000 material property records from ~130,000 abstracts in 60 hours. The extracted data was analyzed for a diverse range of applications such as fuel cells, supercapacitors, and polymer solar cells to recover non-trivial insights. The data extracted through our pipeline is made available through a web platform at https://polymerscholar.org which can be used to locate material property data recorded in abstracts conveniently. This work demonstrates the feasibility of an automatic pipeline that starts from published literature and ends with a complete set of extracted material property information.

The human ability to learn, generalize, and control complex manipulation tasks through multi-modality feedback suggests a unique capability, which we refer to as dexterity intelligence. Understanding and assessing this intelligence is a complex task. Amidst the swift progress and extensive proliferation of large language models (LLMs), their applications in the field of robotics have garnered increasing attention. LLMs possess the ability to process and generate natural language, facilitating efficient interaction and collaboration with robots. Researchers and engineers in the field of robotics have recognized the immense potential of LLMs in enhancing robot intelligence, human-robot interaction, and autonomy. Therefore, this comprehensive review aims to summarize the applications of LLMs in robotics, delving into their impact and contributions to key areas such as robot control, perception, decision-making, and path planning. We first provide an overview of the background and development of LLMs for robotics, followed by a description of the benefits of LLMs for robotics and recent advancements in robotics models based on LLMs. We then delve into the various techniques used in the model, including those employed in perception, decision-making, control, and interaction. Finally, we explore the applications of LLMs in robotics and some potential challenges they may face in the near future. Embodied intelligence is the future of intelligent science, and LLMs-based robotics is one of the promising but challenging paths to achieve this.

Ideology is at the core of political science research. Yet, there still does not exist general-purpose tools to characterize and predict ideology across different genres of text. To this end, we study Pretrained Language Models using novel ideology-driven pretraining objectives that rely on the comparison of articles on the same story written by media of different ideologies. We further collect a large-scale dataset, consisting of more than 3.6M political news articles, for pretraining. Our model POLITICS outperforms strong baselines and the previous state-of-the-art models on ideology prediction and stance detection tasks. Further analyses show that POLITICS is especially good at understanding long or formally written texts, and is also robust in few-shot learning scenarios.

This paper explores the important role of critical science, and in particular of post-colonial and decolonial theories, in understanding and shaping the ongoing advances in artificial intelligence. Artificial Intelligence (AI) is viewed as amongst the technological advances that will reshape modern societies and their relations. Whilst the design and deployment of systems that continually adapt holds the promise of far-reaching positive change, they simultaneously pose significant risks, especially to already vulnerable peoples. Values and power are central to this discussion. Decolonial theories use historical hindsight to explain patterns of power that shape our intellectual, political, economic, and social world. By embedding a decolonial critical approach within its technical practice, AI communities can develop foresight and tactics that can better align research and technology development with established ethical principles, centring vulnerable peoples who continue to bear the brunt of negative impacts of innovation and scientific progress. We highlight problematic applications that are instances of coloniality, and using a decolonial lens, submit three tactics that can form a decolonial field of artificial intelligence: creating a critical technical practice of AI, seeking reverse tutelage and reverse pedagogies, and the renewal of affective and political communities. The years ahead will usher in a wave of new scientific breakthroughs and technologies driven by AI research, making it incumbent upon AI communities to strengthen the social contract through ethical foresight and the multiplicity of intellectual perspectives available to us; ultimately supporting future technologies that enable greater well-being, with the goal of beneficence and justice for all.

Tables and table-based use cases play a crucial role in many important real-world applications, such as spreadsheets, databases, and computational notebooks, which traditionally require expert-level users like data engineers, data analysts, and database administrators to operate. Although LLMs have shown remarkable progress in working with tables (e.g., in spreadsheet and database copilot scenarios), comprehensive benchmarking of such capabilities remains limited. In contrast to an extensive and growing list of NLP benchmarks, evaluations of table-related tasks are scarce, and narrowly focus on tasks like NL-to-SQL and Table-QA, overlooking the broader spectrum of real-world tasks that professional users face. This gap limits our understanding and model progress in this important area. In this work, we introduce MMTU, a large-scale benchmark with over 30K questions across 25 real-world table tasks, designed to comprehensively evaluate models ability to understand, reason, and manipulate real tables at the expert-level. These tasks are drawn from decades' worth of computer science research on tabular data, with a focus on complex table tasks faced by professional users. We show that MMTU require a combination of skills -- including table understanding, reasoning, and coding -- that remain challenging for today's frontier models, where even frontier reasoning models like OpenAI o4-mini and DeepSeek R1 score only around 60%, suggesting significant room for improvement. We highlight key findings in our evaluation using MMTU and hope that this benchmark drives further advances in understanding and developing foundation models for structured data processing and analysis. Our code and data are available at https://github.com/MMTU-Benchmark/MMTU and https://huggingface.co/datasets/MMTU-benchmark/MMTU.

In this manifesto, we put forward the idea of data alchemy as a narrative device to discuss storytelling and transdisciplinarity in visualization. If data is the prima materia of modern science, how does one perform the Great Work? We use text-to-image diffusion-based generative art to develop the concept, and structure our argument in ten propositions, as if they were ten issues of a comic novel on data alchemy: Ad Disco Diffusionem. To follow the argument, the reader must immerse themselves in our miro board, and navigate a multimedia semiotic topology that includes comics, videos, code demos, and ergotic literature in a true alchemic sense. By accessing this paradigm one might find new sources of inspiration for scientific inquiry in familiar places, or get lost in the creative exploration of the unknown. Our colorful, sometimes poetic, exposition should not distract the reader from the seriousness of the ideas discussed, but ultimately it is about the journey.

Recently, Large Language Models (LLMs) have undergone a significant transformation, marked by a rapid rise in both their popularity and capabilities. Leading this evolution are proprietary LLMs like GPT-4 and GPT-o1, which have captured widespread attention in the AI community due to their remarkable performance and versatility. Simultaneously, open-source LLMs, such as LLaMA and Mistral, have made great contributions to the ever-increasing popularity of LLMs due to the ease to customize and deploy the models across diverse applications. Although open-source LLMs present unprecedented opportunities for innovation and research, the commercialization of LLMs has raised concerns about transparency, reproducibility, and safety. Many open-source LLMs fail to meet fundamental transparency requirements by withholding essential components like training code and data, and some use restrictive licenses whilst claiming to be "open-source," which may hinder further innovations on LLMs. To mitigate this issue, we introduce Moxin 7B, a fully open-source LLM developed in accordance with the Model Openness Framework (MOF), a ranked classification system that evaluates AI models based on model completeness and openness, adhering to principles of open science, open source, open data, and open access. Our model achieves the highest MOF classification level of "open science" through the comprehensive release of pre-training code and configurations, training and fine-tuning datasets, and intermediate and final checkpoints. Experiments show that our model achieves superior performance in zero-shot evaluation compared with popular 7B models and performs competitively in few-shot evaluation.

Battery degradation remains a pivotal concern in the energy storage domain, with machine learning emerging as a potent tool to drive forward insights and solutions. However, this intersection of electrochemical science and machine learning poses complex challenges. Machine learning experts often grapple with the intricacies of battery science, while battery researchers face hurdles in adapting intricate models tailored to specific datasets. Beyond this, a cohesive standard for battery degradation modeling, inclusive of data formats and evaluative benchmarks, is conspicuously absent. Recognizing these impediments, we present BatteryML - a one-step, all-encompass, and open-source platform designed to unify data preprocessing, feature extraction, and the implementation of both traditional and state-of-the-art models. This streamlined approach promises to enhance the practicality and efficiency of research applications. BatteryML seeks to fill this void, fostering an environment where experts from diverse specializations can collaboratively contribute, thus elevating the collective understanding and advancement of battery research.The code for our project is publicly available on GitHub at https://github.com/microsoft/BatteryML.

Metadata are general characteristics of the data in a well-curated and condensed format, and have been proven to be useful for decision making, knowledge discovery, and also heterogeneous data organization of biobank. Among all data types in the biobank, pathology is the key component of the biobank and also serves as the gold standard of diagnosis. To maximize the utility of biobank and allow the rapid progress of biomedical science, it is essential to organize the data with well-populated pathology metadata. However, manual annotation of such information is tedious and time-consuming. In the study, we develop a multimodal multitask learning framework to predict four major slide-level metadata of pathology images. The framework learns generalizable representations across tissue slides, pathology reports, and case-level structured data. We demonstrate improved performance across all four tasks with the proposed method compared to a single modal single task baseline on two test sets, one external test set from a distinct data source (TCGA) and one internal held-out test set (TTH). In the test sets, the performance improvements on the averaged area under receiver operating characteristic curve across the four tasks are 16.48% and 9.05% on TCGA and TTH, respectively. Such pathology metadata prediction system may be adopted to mitigate the effort of expert annotation and ultimately accelerate the data-driven research by better utilization of the pathology biobank.

The rapid evolution of scientific fields introduces challenges in organizing and retrieving scientific literature. While expert-curated taxonomies have traditionally addressed this need, the process is time-consuming and expensive. Furthermore, recent automatic taxonomy construction methods either (1) over-rely on a specific corpus, sacrificing generalizability, or (2) depend heavily on the general knowledge of large language models (LLMs) contained within their pre-training datasets, often overlooking the dynamic nature of evolving scientific domains. Additionally, these approaches fail to account for the multi-faceted nature of scientific literature, where a single research paper may contribute to multiple dimensions (e.g., methodology, new tasks, evaluation metrics, benchmarks). To address these gaps, we propose TaxoAdapt, a framework that dynamically adapts an LLM-generated taxonomy to a given corpus across multiple dimensions. TaxoAdapt performs iterative hierarchical classification, expanding both the taxonomy width and depth based on corpus' topical distribution. We demonstrate its state-of-the-art performance across a diverse set of computer science conferences over the years to showcase its ability to structure and capture the evolution of scientific fields. As a multidimensional method, TaxoAdapt generates taxonomies that are 26.51% more granularity-preserving and 50.41% more coherent than the most competitive baselines judged by LLMs.

Large language models (LLMs) have emerged as an integral part of modern societies, powering user-facing applications such as personal assistants and enterprise applications like recruitment tools. Despite their utility, research indicates that LLMs perpetuate systemic biases. Yet, prior works on LLM harms predominantly focus on Western concepts like race and gender, often overlooking cultural concepts from other parts of the world. Additionally, these studies typically investigate "harm" as a singular dimension, ignoring the various and subtle forms in which harms manifest. To address this gap, we introduce the Covert Harms and Social Threats (CHAST), a set of seven metrics grounded in social science literature. We utilize evaluation models aligned with human assessments to examine the presence of covert harms in LLM-generated conversations, particularly in the context of recruitment. Our experiments reveal that seven out of the eight LLMs included in this study generated conversations riddled with CHAST, characterized by malign views expressed in seemingly neutral language unlikely to be detected by existing methods. Notably, these LLMs manifested more extreme views and opinions when dealing with non-Western concepts like caste, compared to Western ones such as race.

The goal of automated feature generation is to liberate machine learning experts from the laborious task of manual feature generation, which is crucial for improving the learning performance of tabular data. The major challenge in automated feature generation is to efficiently and accurately identify effective features from a vast pool of candidate features. In this paper, we present OpenFE, an automated feature generation tool that provides competitive results against machine learning experts. OpenFE achieves high efficiency and accuracy with two components: 1) a novel feature boosting method for accurately evaluating the incremental performance of candidate features and 2) a two-stage pruning algorithm that performs feature pruning in a coarse-to-fine manner. Extensive experiments on ten benchmark datasets show that OpenFE outperforms existing baseline methods by a large margin. We further evaluate OpenFE in two Kaggle competitions with thousands of data science teams participating. In the two competitions, features generated by OpenFE with a simple baseline model can beat 99.3% and 99.6% data science teams respectively. In addition to the empirical results, we provide a theoretical perspective to show that feature generation can be beneficial in a simple yet representative setting. The code is available at https://github.com/ZhangTP1996/OpenFE.

Recent efforts have augmented large language models (LLMs) with external resources (e.g., the Internet) or internal control flows (e.g., prompt chaining) for tasks requiring grounding or reasoning, leading to a new class of language agents. While these agents have achieved substantial empirical success, we lack a systematic framework to organize existing agents and plan future developments. In this paper, we draw on the rich history of cognitive science and symbolic artificial intelligence to propose Cognitive Architectures for Language Agents (CoALA). CoALA describes a language agent with modular memory components, a structured action space to interact with internal memory and external environments, and a generalized decision-making process to choose actions. We use CoALA to retrospectively survey and organize a large body of recent work, and prospectively identify actionable directions towards more capable agents. Taken together, CoALA contextualizes today's language agents within the broader history of AI and outlines a path towards language-based general intelligence.

We present a new question set, text corpus, and baselines assembled to encourage AI research in advanced question answering. Together, these constitute the AI2 Reasoning Challenge (ARC), which requires far more powerful knowledge and reasoning than previous challenges such as SQuAD or SNLI. The ARC question set is partitioned into a Challenge Set and an Easy Set, where the Challenge Set contains only questions answered incorrectly by both a retrieval-based algorithm and a word co-occurence algorithm. The dataset contains only natural, grade-school science questions (authored for human tests), and is the largest public-domain set of this kind (7,787 questions). We test several baselines on the Challenge Set, including leading neural models from the SQuAD and SNLI tasks, and find that none are able to significantly outperform a random baseline, reflecting the difficult nature of this task. We are also releasing the ARC Corpus, a corpus of 14M science sentences relevant to the task, and implementations of the three neural baseline models tested. Can your model perform better? We pose ARC as a challenge to the community.

Reducing hallucination of Large Language Models (LLMs) is imperative for use in the sciences where reproducibility is crucial. However, LLMs inherently lack long-term memory, making it a nontrivial, ad hoc, and inevitably biased task to fine-tune them on domain-specific literature and data. Here we introduce LLaMP, a multimodal retrieval-augmented generation (RAG) framework of multiple data-aware reasoning-and-acting (ReAct) agents that dynamically interact with computational and experimental data on Materials Project (MP). Without fine-tuning, LLaMP demonstrates an ability to comprehend and integrate various modalities of materials science concepts, fetch relevant data stores on the fly, process higher-order data (such as crystal structures and elastic tensors), and summarize multi-step procedures for solid-state synthesis. We show that LLaMP effectively corrects errors in GPT-3.5's intrinsic knowledge, reducing a 5.21% MAPE on frequently-documented bandgaps and a significant 1103.54% MAPE on formation energies -- errors that GPT-3.5 seems to derive from mixed data sources. Additionally, LLaMP substantially reduces the hallucinated volumetric strain in a diamond cubic silicon structure from 66.3% to 0. The proposed framework offers an intuitive and nearly hallucination-free approach to exploring materials informatics and establishes a pathway for knowledge distillation and fine-tuning other language models. We envision the framework as a valuable component for scientific hypotheses and a foundation for future autonomous laboratories where multiple LLM agents communicate and cooperate with robotics to drive material synthesis and chemical reactions without hard-coded human logic and intervention.

Most traditional AI safety research has approached AI models as machines and centered on algorithm-focused attacks developed by security experts. As large language models (LLMs) become increasingly common and competent, non-expert users can also impose risks during daily interactions. This paper introduces a new perspective to jailbreak LLMs as human-like communicators, to explore this overlooked intersection between everyday language interaction and AI safety. Specifically, we study how to persuade LLMs to jailbreak them. First, we propose a persuasion taxonomy derived from decades of social science research. Then, we apply the taxonomy to automatically generate interpretable persuasive adversarial prompts (PAP) to jailbreak LLMs. Results show that persuasion significantly increases the jailbreak performance across all risk categories: PAP consistently achieves an attack success rate of over 92% on Llama 2-7b Chat, GPT-3.5, and GPT-4 in 10 trials, surpassing recent algorithm-focused attacks. On the defense side, we explore various mechanisms against PAP and, found a significant gap in existing defenses, and advocate for more fundamental mitigation for highly interactive LLMs

Game theory, as an analytical tool, is frequently utilized to analyze human behavior in social science research. With the high alignment between the behavior of Large Language Models (LLMs) and humans, a promising research direction is to employ LLMs as substitutes for humans in game experiments, enabling social science research. However, despite numerous empirical researches on the combination of LLMs and game theory, the capability boundaries of LLMs in game theory remain unclear. In this research, we endeavor to systematically analyze LLMs in the context of game theory. Specifically, rationality, as the fundamental principle of game theory, serves as the metric for evaluating players' behavior -- building a clear desire, refining belief about uncertainty, and taking optimal actions. Accordingly, we select three classical games (dictator game, Rock-Paper-Scissors, and ring-network game) to analyze to what extent LLMs can achieve rationality in these three aspects. The experimental results indicate that even the current state-of-the-art LLM (GPT-4) exhibits substantial disparities compared to humans in game theory. For instance, LLMs struggle to build desires based on uncommon preferences, fail to refine belief from many simple patterns, and may overlook or modify refined belief when taking actions. Therefore, we consider that introducing LLMs into game experiments in the field of social science should be approached with greater caution.

Image Captioning, the task of automatic generation of image captions, has attracted attentions from researchers in many fields of computer science, being computer vision, natural language processing and machine learning in recent years. This paper contributes to research on Image Captioning task in terms of extending dataset to a different language - Vietnamese. So far, there is no existed Image Captioning dataset for Vietnamese language, so this is the foremost fundamental step for developing Vietnamese Image Captioning. In this scope, we first build a dataset which contains manually written captions for images from Microsoft COCO dataset relating to sports played with balls, we called this dataset UIT-ViIC. UIT-ViIC consists of 19,250 Vietnamese captions for 3,850 images. Following that, we evaluate our dataset on deep neural network models and do comparisons with English dataset and two Vietnamese datasets built by different methods. UIT-ViIC is published on our lab website for research purposes.

Autonomous agents have long been a prominent research focus in both academic and industry communities. Previous research in this field often focuses on training agents with limited knowledge within isolated environments, which diverges significantly from human learning processes, and thus makes the agents hard to achieve human-like decisions. Recently, through the acquisition of vast amounts of web knowledge, large language models (LLMs) have demonstrated remarkable potential in achieving human-level intelligence. This has sparked an upsurge in studies investigating LLM-based autonomous agents. In this paper, we present a comprehensive survey of these studies, delivering a systematic review of the field of LLM-based autonomous agents from a holistic perspective. More specifically, we first discuss the construction of LLM-based autonomous agents, for which we propose a unified framework that encompasses a majority of the previous work. Then, we present a comprehensive overview of the diverse applications of LLM-based autonomous agents in the fields of social science, natural science, and engineering. Finally, we delve into the evaluation strategies commonly used for LLM-based autonomous agents. Based on the previous studies, we also present several challenges and future directions in this field. To keep track of this field and continuously update our survey, we maintain a repository of relevant references at https://github.com/Paitesanshi/LLM-Agent-Survey.

TensorFlow is an interface for expressing machine learning algorithms, and an implementation for executing such algorithms. A computation expressed using TensorFlow can be executed with little or no change on a wide variety of heterogeneous systems, ranging from mobile devices such as phones and tablets up to large-scale distributed systems of hundreds of machines and thousands of computational devices such as GPU cards. The system is flexible and can be used to express a wide variety of algorithms, including training and inference algorithms for deep neural network models, and it has been used for conducting research and for deploying machine learning systems into production across more than a dozen areas of computer science and other fields, including speech recognition, computer vision, robotics, information retrieval, natural language processing, geographic information extraction, and computational drug discovery. This paper describes the TensorFlow interface and an implementation of that interface that we have built at Google. The TensorFlow API and a reference implementation were released as an open-source package under the Apache 2.0 license in November, 2015 and are available at www.tensorflow.org.

As large language models grow in capability and agency, identifying vulnerabilities through red-teaming becomes vital for safe deployment. However, traditional prompt-engineering approaches may prove ineffective once red-teaming turns into a weak-to-strong problem, where target models surpass red-teamers in capabilities. To study this shift, we frame red-teaming through the lens of the capability gap between attacker and target. We evaluate more than 500 attacker-target pairs using LLM-based jailbreak attacks that mimic human red-teamers across diverse families, sizes, and capability levels. Three strong trends emerge: (i) more capable models are better attackers, (ii) attack success drops sharply once the target's capability exceeds the attacker's, and (iii) attack success rates correlate with high performance on social science splits of the MMLU-Pro benchmark. From these trends, we derive a jailbreaking scaling law that predicts attack success for a fixed target based on attacker-target capability gap. These findings suggest that fixed-capability attackers (e.g., humans) may become ineffective against future models, increasingly capable open-source models amplify risks for existing systems, and model providers must accurately measure and control models' persuasive and manipulative abilities to limit their effectiveness as attackers.

Knowledge graphs (KGs) have been successfully applied to the analysis of complex scientific and technological domains, with automatic KG generation methods typically building upon relation extraction models capturing fine-grained relations between domain entities in text. While these relations are fully applicable across scientific areas, existing models are trained on few domain-specific datasets such as SciERC and do not perform well on new target domains. In this paper, we experiment with leveraging in-context learning capabilities of Large Language Models to perform schema-constrained data annotation, collecting in-domain training instances for a Transformer-based relation extraction model deployed on titles and abstracts of research papers in the Architecture, Construction, Engineering and Operations (AECO) domain. By assessing the performance gain with respect to a baseline Deep Learning architecture trained on off-domain data, we show that by using a few-shot learning strategy with structured prompts and only minimal expert annotation the presented approach can potentially support domain adaptation of a science KG generation model.

Scientific researchers need intensive information about datasets to effectively evaluate and develop theories and methodologies. The information needs regarding datasets are implicitly embedded in particular research tasks, rather than explicitly expressed in search queries. However, existing scientific retrieval and question-answering (QA) datasets typically address straightforward questions, which do not align with the distribution of real-world research inquiries. To bridge this gap, we developed ScIRGen, a dataset generation framework for scientific QA \& retrieval that more accurately reflects the information needs of professional science researchers, and uses it to create a large-scale scientific retrieval-augmented generation (RAG) dataset with realistic queries, datasets and papers. Technically, we designed a dataset-oriented information extraction method that leverages academic papers to augment the dataset representation. We then proposed a question generation framework by employing cognitive taxonomy to ensure the quality of synthesized questions. We also design a method to automatically filter synthetic answers based on the perplexity shift of LLMs, which is highly aligned with human judgment of answers' validity. Collectively, these methodologies culminated in the creation of the 61k QA dataset, ScIRGen-Geo. We benchmarked representative methods on the ScIRGen-Geo dataset for their question-answering and retrieval capabilities, finding out that current methods still suffer from reasoning from complex questions. This work advances the development of more sophisticated tools to support the intricate information needs of the scientific community.

On October 19 and 20, 2023, the authors of this report convened in Cambridge, MA, to discuss the state of the database research field, its recent accomplishments and ongoing challenges, and future directions for research and community engagement. This gathering continues a long standing tradition in the database community, dating back to the late 1980s, in which researchers meet roughly every five years to produce a forward looking report. This report summarizes the key takeaways from our discussions. We begin with a retrospective on the academic, open source, and commercial successes of the community over the past five years. We then turn to future opportunities, with a focus on core data systems, particularly in the context of cloud computing and emerging hardware, as well as on the growing impact of data science, data governance, and generative AI. This document is not intended as an exhaustive survey of all technical challenges or industry innovations in the field. Rather, it reflects the perspectives of senior community members on the most pressing challenges and promising opportunities ahead.

Generative AI (GAI) offers unprecedented opportunities for research and innovation, but its commercialization has raised concerns about transparency, reproducibility, and safety. Many open GAI models lack the necessary components for full understanding and reproducibility, and some use restrictive licenses whilst claiming to be ``open-source''. To address these concerns, we propose the Model Openness Framework (MOF), a ranked classification system that rates machine learning models based on their completeness and openness, following principles of open science, open source, open data, and open access. The MOF requires specific components of the model development lifecycle to be included and released under appropriate open licenses. This framework aims to prevent misrepresentation of models claiming to be open, guide researchers and developers in providing all model components under permissive licenses, and help individuals and organizations identify models that can be safely adopted without restrictions. By promoting transparency and reproducibility, the MOF combats ``openwashing'' practices and establishes completeness and openness as primary criteria alongside the core tenets of responsible AI. Wide adoption of the MOF will foster a more open AI ecosystem, benefiting research, innovation, and adoption of state-of-the-art models.

Similarity is a comparative-subjective measure that varies with the domain within which it is considered. In several NLP applications such as document classification, pattern recognition, chatbot question-answering, sentiment analysis, etc., identifying an accurate similarity score for sentence pairs has become a crucial area of research. In the existing models that assess similarity, the limitation of effectively computing this similarity based on contextual comparisons, the localization due to the centering theory, and the lack of non-semantic textual comparisons have proven to be drawbacks. Hence, this paper presents a multi-layered semantic similarity network model built upon multiple similarity measures that render an overall sentence similarity score based on the principles of Network Science, neighboring weighted relational edges, and a proposed extended node similarity computation formula. The proposed multi-layered network model was evaluated and tested against established state-of-the-art models and is shown to have demonstrated better performance scores in assessing sentence similarity.

This paper presents a new challenging information extraction task in the domain of materials science. We develop an annotation scheme for marking information on experiments related to solid oxide fuel cells in scientific publications, such as involved materials and measurement conditions. With this paper, we publish our annotation guidelines, as well as our SOFC-Exp corpus consisting of 45 open-access scholarly articles annotated by domain experts. A corpus and an inter-annotator agreement study demonstrate the complexity of the suggested named entity recognition and slot filling tasks as well as high annotation quality. We also present strong neural-network based models for a variety of tasks that can be addressed on the basis of our new data set. On all tasks, using BERT embeddings leads to large performance gains, but with increasing task complexity, adding a recurrent neural network on top seems beneficial. Our models will serve as competitive baselines in future work, and analysis of their performance highlights difficult cases when modeling the data and suggests promising research directions.

This paper presents the development of a specialized chatbot for materials science, leveraging the Llama-2 language model, and continuing pre-training on the expansive research articles in the materials science domain from the S2ORC dataset. The methodology involves an initial pretraining phase on over one million domain-specific papers, followed by an instruction-tuning process to refine the chatbot's capabilities. The chatbot is designed to assist researchers, educators, and students by providing instant, context-aware responses to queries in the field of materials science. We make the four trained checkpoints (7B, 13B, with or without chat ability) freely available to the research community at https://github.com/Xianjun-Yang/Quokka.

Keeping track of all relevant recent publications and experimental results for a research area is a challenging task. Prior work has demonstrated the efficacy of information extraction models in various scientific areas. Recently, several datasets have been released for the yet understudied materials science domain. However, these datasets focus on sub-problems such as parsing synthesis procedures or on sub-domains, e.g., solid oxide fuel cells. In this resource paper, we present MuLMS, a new dataset of 50 open-access articles, spanning seven sub-domains of materials science. The corpus has been annotated by domain experts with several layers ranging from named entities over relations to frame structures. We present competitive neural models for all tasks and demonstrate that multi-task training with existing related resources leads to benefits.

Sentiments inherently drive politics. How we receive and process information plays an essential role in political decision-making, shaping our judgment with strategic consequences both on the level of legislators and the masses. If sentiment plays such an important role in politics, how can we study and measure it systematically? The paper presents a new dataset of sentiment-annotated sentences, which are used in a series of experiments focused on training a robust sentiment classifier for parliamentary proceedings. The paper also introduces the first domain-specific LLM for political science applications additionally pre-trained on 1.72 billion domain-specific words from proceedings of 27 European parliaments. We present experiments demonstrating how the additional pre-training of LLM on parliamentary data can significantly improve the model downstream performance on the domain-specific tasks, in our case, sentiment detection in parliamentary proceedings. We further show that multilingual models perform very well on unseen languages and that additional data from other languages significantly improves the target parliament's results. The paper makes an important contribution to multiple domains of social sciences and bridges them with computer science and computational linguistics. Lastly, it sets up a more robust approach to sentiment analysis of political texts in general, which allows scholars to study political sentiment from a comparative perspective using standardized tools and techniques.

Data science aims to extract insights from data to support decision-making processes. Recently, Large Language Models (LLMs) are increasingly used as assistants for data science, by suggesting ideas, techniques and small code snippets, or for the interpretation of results and reporting. Proper automation of some data-science activities is now promised by the rise of LLM agents, i.e., AI systems powered by an LLM equipped with additional affordances--such as code execution and knowledge bases--that can perform self-directed actions and interact with digital environments. In this paper, we survey the evaluation of LLM assistants and agents for data science. We find (1) a dominant focus on a small subset of goal-oriented activities, largely ignoring data management and exploratory activities; (2) a concentration on pure assistance or fully autonomous agents, without considering intermediate levels of human-AI collaboration; and (3) an emphasis on human substitution, therefore neglecting the possibility of higher levels of automation thanks to task transformation.

Artificial Intelligence (AI) can augment and sometimes even replace human cognition. Inspired by efforts to value human agency alongside productivity, we discuss the benefits of solving Citizen Science (CS) tasks with Hybrid Intelligence (HI), a synergetic mixture of human and artificial intelligence. Currently there is no clear framework or methodology on how to create such an effective mixture. Due to the unique participant-centered set of values and the abundance of tasks drawing upon both human common sense and complex 21st century skills, we believe that the field of CS offers an invaluable testbed for the development of HI and human-centered AI of the 21st century, while benefiting CS as well. In order to investigate this potential, we first relate CS to adjacent computational disciplines. Then, we demonstrate that CS projects can be grouped according to their potential for HI-enhancement by examining two key dimensions: the level of digitization and the amount of knowledge or experience required for participation. Finally, we propose a framework for types of human-AI interaction in CS based on established criteria of HI. This "HI lens" provides the CS community with an overview of several ways to utilize the combination of AI and human intelligence in their projects. It also allows the AI community to gain ideas on how developing AI in CS projects can further their own field.

Recent advancements in medical imaging and artificial intelligence (AI) have greatly enhanced diagnostic capabilities, but the development of effective deep learning (DL) models is still constrained by the lack of high-quality annotated datasets. The traditional manual annotation process by medical experts is time- and resource-intensive, limiting the scalability of these datasets. In this work, we introduce a robust and versatile framework that combines AI and crowdsourcing to improve both the quality and quantity of medical image datasets across different modalities. Our approach utilises a user-friendly online platform that enables a diverse group of crowd annotators to label medical images efficiently. By integrating the MedSAM segmentation AI with this platform, we accelerate the annotation process while maintaining expert-level quality through an algorithm that merges crowd-labelled images. Additionally, we employ pix2pixGAN, a generative AI model, to expand the training dataset with synthetic images that capture realistic morphological features. These methods are combined into a cohesive framework designed to produce an enhanced dataset, which can serve as a universal pre-processing pipeline to boost the training of any medical deep learning segmentation model. Our results demonstrate that this framework significantly improves model performance, especially when training data is limited.

Recently, there has been a significant upsurge of interest in leveraging large language models (LLMs) to assist scientific discovery. However, most LLMs only focus on general science, while they lack domain-specific knowledge, such as chemical molecules and amino acid sequences. To bridge these gaps, we introduce SciDFM, a mixture-of-experts LLM, which is trained from scratch and is able to conduct college-level scientific reasoning and understand molecules and amino acid sequences. We collect a large-scale training corpus containing numerous scientific papers and books from different disciplines as well as data from domain-specific databases. We further fine-tune the pre-trained model on lots of instruction data to improve performances on downstream benchmarks. From experiment results, we show that SciDFM achieves strong performance on general scientific benchmarks such as SciEval and SciQ, and it reaches a SOTA performance on domain-specific benchmarks among models of similar size. We further analyze the expert layers and show that the results of expert selection vary with data from different disciplines. To benefit the broader research community, we open-source SciDFM at https://huggingface.co/OpenDFM/SciDFM-MoE-A5.6B-v1.0.

Recent advances in large language models (LLMs) have significantly impacted data science workflows, giving rise to specialized data science agents designed to automate analytical tasks. Despite rapid adoption, systematic benchmarks evaluating the efficacy and limitations of these agents remain scarce. In this paper, we introduce a comprehensive benchmark specifically crafted to reflect real-world user interactions with data science agents by observing usage of our commercial applications. We evaluate three LLMs: Claude-4.0-Sonnet, Gemini-2.5-Flash, and OpenAI-o4-Mini across three approaches: zero-shot with context engineering, multi-step with context engineering, and with SmolAgent. Our benchmark assesses performance across a diverse set of eight data science task categories, additionally exploring the sensitivity of models to common prompting issues, such as data leakage and slightly ambiguous instructions. We further investigate the influence of temperature parameters on overall and task-specific outcomes for each model and approach. Our findings reveal distinct performance disparities among the evaluated models and methodologies, highlighting critical factors that affect practical deployment. The benchmark dataset and evaluation framework introduced herein aim to provide a foundation for future research of more robust and effective data science agents.

NLP has recently made exciting progress toward training language models (LMs) with strong scientific problem-solving skills. However, model development has not focused on real-life use-cases of LMs for science, including applications in education that require processing long scientific documents. To address this, we introduce TutorEval and TutorChat. TutorEval is a diverse question-answering benchmark consisting of questions about long chapters from STEM textbooks, written by experts. TutorEval helps measure real-life usability of LMs as scientific assistants, and it is the first benchmark combining long contexts, free-form generation, and multi-disciplinary scientific knowledge. Moreover, we show that fine-tuning base models with existing dialogue datasets leads to poor performance on TutorEval. Therefore, we create TutorChat, a dataset of 80,000 long synthetic dialogues about textbooks. We use TutorChat to fine-tune Llemma models with 7B and 34B parameters. These LM tutors specialized in math have a 32K-token context window, and they excel at TutorEval while performing strongly on GSM8K and MATH. Our datasets build on open-source materials, and we release our models, data, and evaluations.

Named entity recognition identifies common classes of entities in text, but these entity labels are generally sparse, limiting utility to downstream tasks. In this work we present ScienceExamCER, a densely-labeled semantic classification corpus of 133k mentions in the science exam domain where nearly all (96%) of content words have been annotated with one or more fine-grained semantic class labels including taxonomic groups, meronym groups, verb/action groups, properties and values, and synonyms. Semantic class labels are drawn from a manually-constructed fine-grained typology of 601 classes generated through a data-driven analysis of 4,239 science exam questions. We show an off-the-shelf BERT-based named entity recognition model modified for multi-label classification achieves an accuracy of 0.85 F1 on this task, suggesting strong utility for downstream tasks in science domain question answering requiring densely-labeled semantic classification.

Data science workers increasingly collaborate on large-scale projects before communicating insights to a broader audience in the form of visualization. While prior work has modeled how data science teams, oftentimes with distinct roles and work processes, communicate knowledge to outside stakeholders, we have little knowledge of how data science workers communicate intermediately before delivering the final products. In this work, we contribute a nuanced description of the intermediate communication process within data science teams. By analyzing interview data with 8 self-identified data science workers, we characterized the data science intermediate communication process with four factors, including the types of audience, communication goals, shared artifacts, and mode of communication. We also identified overarching challenges in the current communication process. We also discussed design implications that might inform better tools that facilitate intermediate communication within data science teams.

Scientific research faces high costs and inefficiencies with traditional methods, but the rise of deep learning and large language models (LLMs) offers innovative solutions. This survey reviews LLM applications across scientific fields such as biology, medicine, chemistry, and meteorology, underscoring their role in advancing research. However, the continuous expansion of model size has led to significant memory demands, hindering further development and application of LLMs for science. To address this, we review memory-efficient training techniques for LLMs based on the transformer architecture, including distributed training, mixed precision training, and gradient checkpointing. Using AlphaFold 2 as an example, we demonstrate how tailored memory optimization methods can reduce storage needs while preserving prediction accuracy. We also discuss the challenges of memory optimization in practice and potential future directions, hoping to provide valuable insights for researchers and engineers.

In this community review report, we discuss applications and techniques for fast machine learning (ML) in science -- the concept of integrating power ML methods into the real-time experimental data processing loop to accelerate scientific discovery. The material for the report builds on two workshops held by the Fast ML for Science community and covers three main areas: applications for fast ML across a number of scientific domains; techniques for training and implementing performant and resource-efficient ML algorithms; and computing architectures, platforms, and technologies for deploying these algorithms. We also present overlapping challenges across the multiple scientific domains where common solutions can be found. This community report is intended to give plenty of examples and inspiration for scientific discovery through integrated and accelerated ML solutions. This is followed by a high-level overview and organization of technical advances, including an abundance of pointers to source material, which can enable these breakthroughs.

The utilization of large language models (LLMs) in the Healthcare domain has generated both excitement and concern due to their ability to effectively respond to freetext queries with certain professional knowledge. This survey outlines the capabilities of the currently developed LLMs for Healthcare and explicates their development process, with the aim of providing an overview of the development roadmap from traditional Pretrained Language Models (PLMs) to LLMs. Specifically, we first explore the potential of LLMs to enhance the efficiency and effectiveness of various Healthcare applications highlighting both the strengths and limitations. Secondly, we conduct a comparison between the previous PLMs and the latest LLMs, as well as comparing various LLMs with each other. Then we summarize related Healthcare training data, training methods, optimization strategies, and usage. Finally, the unique concerns associated with deploying LLMs in Healthcare settings are investigated, particularly regarding fairness, accountability, transparency and ethics. Our survey provide a comprehensive investigation from perspectives of both computer science and Healthcare specialty. Besides the discussion about Healthcare concerns, we supports the computer science community by compiling a collection of open source resources, such as accessible datasets, the latest methodologies, code implementations, and evaluation benchmarks in the Github. Summarily, we contend that a significant paradigm shift is underway, transitioning from PLMs to LLMs. This shift encompasses a move from discriminative AI approaches to generative AI approaches, as well as a shift from model-centered methodologies to datacentered methodologies.

Gravitational waves from asymmetric mass-ratio black-hole binaries carry unique information about their astrophysical environment. For instance, the Laser Interferometer Space Antenna (LISA) could potentially measure the amplitude and slope of gas torques in binaries embedded in the accretion disks of Active Galactic Nuclei, helping differentiate competing accretion disk models. However, this relies on simplified analytic models, which do not account for the stochastic variability of torques seen in hydrodynamic simulations. In this work, we use hydrodynamic simulations to create gravitational waveforms for extreme and intermediate mass-ratio inspirals in the LISA band. We then analyze these simulated waveforms using simpler templates that assume analytic torques, without stochastic time variability. By performing realistic Bayesian parameter estimation, we find no bias at 90% confidence in the binary parameters; however, estimates of accretion disk parameters, such as torque amplitude and slope, may be biased. Typically, the posterior distribution is centered around the average value of the torques, but when stochastic variability is large, the posterior can indicate no torques, even though they are present in the simulation. Our results suggest that while simplified analytic torque models work well for estimating binary parameters, caution is needed when using them to infer properties of the accretion disk. This work moves towards a more realistic assessment of one of the LISA science objectives, i.e., probing the properties of the astrophysical environments of black holes.

Understanding human behavior and society is a central focus in social sciences, with the rise of generative social science marking a significant paradigmatic shift. By leveraging bottom-up simulations, it replaces costly and logistically challenging traditional experiments with scalable, replicable, and systematic computational approaches for studying complex social dynamics. Recent advances in large language models (LLMs) have further transformed this research paradigm, enabling the creation of human-like generative social agents and realistic simulacra of society. In this paper, we propose AgentSociety, a large-scale social simulator that integrates LLM-driven agents, a realistic societal environment, and a powerful large-scale simulation engine. Based on the proposed simulator, we generate social lives for over 10k agents, simulating their 5 million interactions both among agents and between agents and their environment. Furthermore, we explore the potential of AgentSociety as a testbed for computational social experiments, focusing on four key social issues: polarization, the spread of inflammatory messages, the effects of universal basic income policies, and the impact of external shocks such as hurricanes. These four issues serve as valuable cases for assessing AgentSociety's support for typical research methods -- such as surveys, interviews, and interventions -- as well as for investigating the patterns, causes, and underlying mechanisms of social issues. The alignment between AgentSociety's outcomes and real-world experimental results not only demonstrates its ability to capture human behaviors and their underlying mechanisms, but also underscores its potential as an important platform for social scientists and policymakers.

Large Language Models (LLMs) have demonstrated remarkable capabilities across a wide range of instruction-following tasks, yet their grasp of nuanced social science concepts remains underexplored. This paper examines whether LLMs can identify and classify fine-grained forms of populism, a complex and contested concept in both academic and media debates. To this end, we curate and release novel datasets specifically designed to capture populist discourse. We evaluate a range of pre-trained (large) language models, both open-weight and proprietary, across multiple prompting paradigms. Our analysis reveals notable variation in performance, highlighting the limitations of LLMs in detecting populist discourse. We find that a fine-tuned RoBERTa classifier vastly outperforms all new-era instruction-tuned LLMs, unless fine-tuned. Additionally, we apply our best-performing model to analyze campaign speeches by Donald Trump, extracting valuable insights into his strategic use of populist rhetoric. Finally, we assess the generalizability of these models by benchmarking them on campaign speeches by European politicians, offering a lens into cross-context transferability in political discourse analysis. In this setting, we find that instruction-tuned LLMs exhibit greater robustness on out-of-domain data.

Document Layout Analysis, which is the task of identifying different semantic regions inside of a document page, is a subject of great interest for both computer scientists and humanities scholars as it represents a fundamental step towards further analysis tasks for the former and a powerful tool to improve and facilitate the study of the documents for the latter. However, many of the works currently present in the literature, especially when it comes to the available datasets, fail to meet the needs of both worlds and, in particular, tend to lean towards the needs and common practices of the computer science side, leading to resources that are not representative of the humanities real needs. For this reason, the present paper introduces U-DIADS-Bib, a novel, pixel-precise, non-overlapping and noiseless document layout analysis dataset developed in close collaboration between specialists in the fields of computer vision and humanities. Furthermore, we propose a novel, computer-aided, segmentation pipeline in order to alleviate the burden represented by the time-consuming process of manual annotation, necessary for the generation of the ground truth segmentation maps. Finally, we present a standardized few-shot version of the dataset (U-DIADS-BibFS), with the aim of encouraging the development of models and solutions able to address this task with as few samples as possible, which would allow for more effective use in a real-world scenario, where collecting a large number of segmentations is not always feasible.

Pollution of online social spaces caused by rampaging d/misinformation is a growing societal concern. However, recent decisions to reduce access to social media APIs are causing a shortage of publicly available, recent, social media data, thus hindering the advancement of computational social science as a whole. We present a large, high-coverage dataset of social interactions and user-generated content from Bluesky Social to address this pressing issue. The dataset contains the complete post history of over 4M users (81% of all registered accounts), totalling 235M posts. We also make available social data covering follow, comment, repost, and quote interactions. Since Bluesky allows users to create and bookmark feed generators (i.e., content recommendation algorithms), we also release the full output of several popular algorithms available on the platform, along with their timestamped ``like'' interactions and time of bookmarking. This dataset allows unprecedented analysis of online behavior and human-machine engagement patterns. Notably, it provides ground-truth data for studying the effects of content exposure and self-selection and performing content virality and diffusion analysis.

The Euclid satellite is an ESA mission that was launched in July 2023. \Euclid is working in its regular observing mode with the target of observing an area of 14,000~deg^2 with two instruments, the Visible Camera (VIS) and the Near IR Spectrometer and Photometer (NISP) down to I_{rm E} = 24.5~mag (10, sigma) in the Euclid Wide Survey. Ground-based imaging data in the ugriz bands complement the \Euclid data to enable photo-z determination and VIS PSF modeling for week lensing analysis. Euclid investigates the distance-redshift relation and the evolution of cosmic structures by measuring shapes and redshifts of galaxies and clusters of galaxies out to zsim 2. Generating the multi-wavelength catalogues from \Euclid and ground-based data is an essential part of the \Euclid data processing system. In the framework of the \Euclid Science Ground Segment (SGS), the aim of the MER Processing Function (PF) pipeline is to detect objects in the \Euclid imaging data, measure their properties, and MERge them into a single multi-wavelength catalogue. The MER PF pipeline performs source detection on both visible (VIS) and near-infrared (NIR) images and offers four different photometric measurements: Kron total flux, aperture photometry on PSF-matched images, template fitting photometry, and S\'ersic fitting photometry. Furthermore, the MER PF pipeline measures a set of ancillary quantities, spanning from morphology to quality flags, to better characterise all detected sources. In this paper, we show how the MER PF pipeline is designed, detailing its main steps, and we show that the pipeline products meet the tight requirements that Euclid aims to achieve on photometric accuracy. We also present the other measurements (e.g. morphology) that are included in the OU-MER output catalogues and we list all output products coming out of the MER PF pipeline.

Social science NLP tasks, such as emotion or humor detection, are required to capture the semantics along with the implicit pragmatics from text, often with limited amounts of training data. Instruction tuning has been shown to improve the many capabilities of large language models (LLMs) such as commonsense reasoning, reading comprehension, and computer programming. However, little is known about the effectiveness of instruction tuning on the social domain where implicit pragmatic cues are often needed to be captured. We explore the use of instruction tuning for social science NLP tasks and introduce Socialite-Llama -- an open-source, instruction-tuned Llama. On a suite of 20 social science tasks, Socialite-Llama improves upon the performance of Llama as well as matches or improves upon the performance of a state-of-the-art, multi-task finetuned model on a majority of them. Further, Socialite-Llama also leads to improvement on 5 out of 6 related social tasks as compared to Llama, suggesting instruction tuning can lead to generalized social understanding. All resources including our code, model and dataset can be found through bit.ly/socialitellama.

Modern operating room is becoming increasingly complex, requiring innovative intra-operative support systems. While the focus of surgical data science has largely been on video analysis, integrating surgical computer vision with language capabilities is emerging as a necessity. Our work aims to advance Visual Question Answering (VQA) in the surgical context with scene graph knowledge, addressing two main challenges in the current surgical VQA systems: removing question-condition bias in the surgical VQA dataset and incorporating scene-aware reasoning in the surgical VQA model design. First, we propose a Surgical Scene Graph-based dataset, SSG-QA, generated by employing segmentation and detection models on publicly available datasets. We build surgical scene graphs using spatial and action information of instruments and anatomies. These graphs are fed into a question engine, generating diverse QA pairs. Our SSG-QA dataset provides a more complex, diverse, geometrically grounded, unbiased, and surgical action-oriented dataset compared to existing surgical VQA datasets. We then propose SSG-QA-Net, a novel surgical VQA model incorporating a lightweight Scene-embedded Interaction Module (SIM), which integrates geometric scene knowledge in the VQA model design by employing cross-attention between the textual and the scene features. Our comprehensive analysis of the SSG-QA dataset shows that SSG-QA-Net outperforms existing methods across different question types and complexities. We highlight that the primary limitation in the current surgical VQA systems is the lack of scene knowledge to answer complex queries. We present a novel surgical VQA dataset and model and show that results can be significantly improved by incorporating geometric scene features in the VQA model design. The source code and the dataset will be made publicly available at: https://github.com/CAMMA-public/SSG-QA

For infinite action contextual bandits, smoothed regret and reduction to regression results in state-of-the-art online performance with computational cost independent of the action set: unfortunately, the resulting data exhaust does not have well-defined importance-weights. This frustrates the execution of downstream data science processes such as offline model selection. In this paper we describe an online algorithm with an equivalent smoothed regret guarantee, but which generates well-defined importance weights: in exchange, the online computational cost increases, but only to order smoothness (i.e., still independent of the action set). This removes a key obstacle to adoption of smoothed regret in production scenarios.

AI is increasingly playing a pivotal role in transforming how scientific discoveries are made. We introduce The AI Scientist-v2, an end-to-end agentic system capable of producing the first entirely AI generated peer-review-accepted workshop paper. This system iteratively formulates scientific hypotheses, designs and executes experiments, analyzes and visualizes data, and autonomously authors scientific manuscripts. Compared to its predecessor (v1, Lu et al., 2024 arXiv:2408.06292), The AI Scientist-v2 eliminates the reliance on human-authored code templates, generalizes effectively across diverse machine learning domains, and leverages a novel progressive agentic tree-search methodology managed by a dedicated experiment manager agent. Additionally, we enhance the AI reviewer component by integrating a Vision-Language Model (VLM) feedback loop for iterative refinement of content and aesthetics of the figures. We evaluated The AI Scientist-v2 by submitting three fully autonomous manuscripts to a peer-reviewed ICLR workshop. Notably, one manuscript achieved high enough scores to exceed the average human acceptance threshold, marking the first instance of a fully AI-generated paper successfully navigating a peer review. This accomplishment highlights the growing capability of AI in conducting all aspects of scientific research. We anticipate that further advancements in autonomous scientific discovery technologies will profoundly impact human knowledge generation, enabling unprecedented scalability in research productivity and significantly accelerating scientific breakthroughs, greatly benefiting society at large. We have open-sourced the code at https://github.com/SakanaAI/AI-Scientist-v2 to foster the future development of this transformative technology. We also discuss the role of AI in science, including AI safety.

Artificial intelligence commonly refers to the science and engineering of artificial systems that can carry out tasks generally associated with requiring aspects of human intelligence, such as playing games, translating languages, and driving cars. In recent years, there have been exciting advances in learning-based, data-driven approaches towards AI, and machine learning and deep learning have enabled computer systems to perceive the world in unprecedented ways. Reinforcement learning has enabled breakthroughs in complex games such as Go and challenging robotics tasks such as quadrupedal locomotion. A key aspect of intelligence is to not only make predictions, but reason about the uncertainty in these predictions, and to consider this uncertainty when making decisions. This is what this manuscript on "Probabilistic Artificial Intelligence" is about. The first part covers probabilistic approaches to machine learning. We discuss the differentiation between "epistemic" uncertainty due to lack of data and "aleatoric" uncertainty, which is irreducible and stems, e.g., from noisy observations and outcomes. We discuss concrete approaches towards probabilistic inference and modern approaches to efficient approximate inference. The second part of the manuscript is about taking uncertainty into account in sequential decision tasks. We consider active learning and Bayesian optimization -- approaches that collect data by proposing experiments that are informative for reducing the epistemic uncertainty. We then consider reinforcement learning and modern deep RL approaches that use neural network function approximation. We close by discussing modern approaches in model-based RL, which harness epistemic and aleatoric uncertainty to guide exploration, while also reasoning about safety.

Data standardization is a crucial part of the data science life cycle. While tools like Pandas offer robust functionalities, their complexity and the manual effort required for customizing code to diverse column types pose significant challenges. Although large language models (LLMs) like ChatGPT have shown promise in automating this process through natural language understanding and code generation, it still demands expert-level programming knowledge and continuous interaction for prompt refinement. To solve these challenges, our key idea is to propose a Python library with declarative, unified APIs for standardizing different column types, simplifying the LLM's code generation with concise API calls. We first propose Dataprep.Clean, a component of the Dataprep Python Library, significantly reduces the coding complexity by enabling the standardization of specific column types with a single line of code. Then, we introduce the CleanAgent framework integrating Dataprep.Clean and LLM-based agents to automate the data standardization process. With CleanAgent, data scientists only need to provide their requirements once, allowing for a hands-free process. To demonstrate the practical utility of CleanAgent, we developed a user-friendly web application, allowing attendees to interact with it using real-world datasets.

This paper introduces ClimateGPT, a model family of domain-specific large language models that synthesize interdisciplinary research on climate change. We trained two 7B models from scratch on a science-oriented dataset of 300B tokens. For the first model, the 4.2B domain-specific tokens were included during pre-training and the second was adapted to the climate domain after pre-training. Additionally, ClimateGPT-7B, 13B and 70B are continuously pre-trained from Llama~2 on a domain-specific dataset of 4.2B tokens. Each model is instruction fine-tuned on a high-quality and human-generated domain-specific dataset that has been created in close cooperation with climate scientists. To reduce the number of hallucinations, we optimize the model for retrieval augmentation and propose a hierarchical retrieval strategy. To increase the accessibility of our model to non-English speakers, we propose to make use of cascaded machine translation and show that this approach can perform comparably to natively multilingual models while being easier to scale to a large number of languages. Further, to address the intrinsic interdisciplinary aspect of climate change we consider different research perspectives. Therefore, the model can produce in-depth answers focusing on different perspectives in addition to an overall answer. We propose a suite of automatic climate-specific benchmarks to evaluate LLMs. On these benchmarks, ClimateGPT-7B performs on par with the ten times larger Llama-2-70B Chat model while not degrading results on general domain benchmarks. Our human evaluation confirms the trends we saw in our benchmarks. All models were trained and evaluated using renewable energy and are released publicly.

New Natural Langauge Process~(NLP) benchmarks are urgently needed to align with the rapid development of large language models (LLMs). We present Xiezhi, the most comprehensive evaluation suite designed to assess holistic domain knowledge. Xiezhi comprises multiple-choice questions across 516 diverse disciplines ranging from 13 different subjects with 249,587 questions and accompanied by Xiezhi-Specialty and Xiezhi-Interdiscipline, both with 15k questions. We conduct evaluation of the 47 cutting-edge LLMs on Xiezhi. Results indicate that LLMs exceed average performance of humans in science, engineering, agronomy, medicine, and art, but fall short in economics, jurisprudence, pedagogy, literature, history, and management. We anticipate Xiezhi will help analyze important strengths and shortcomings of LLMs, and the benchmark is released in~https://github.com/MikeGu721/XiezhiBenchmark.

We are in the midst of quantum hype with some excessive claims of quantum computing potential, many vendors' and even some research organizations' exaggerations, and a funding frenzy for very low technology readiness level startups. Governments are contributing to this hype with their large quantum initiatives and their technology sovereignty aspirations. Technology hypes are not bad per se since they create emulation, drive innovations and also contribute to attracting new talents. It works as scientists and vendors deliver progress and innovation on a continuous basis after a so-called peak of expectations. It fails with exaggerated overpromises and underdeliveries that last too long. It could cut short research and innovation funding, creating some sort of quantum winter. After looking at the shape and form of technology and science hypes and driving some lessons from past hypes, we investigate the current quantum hype and its specifics. We find that, although there is some significant uncertainty on the potential to create real scalable quantum computers, the scientific and vendor fields are relatively sane and solid compared to other technology hypes. The vendors hype has some profound and disruptive impact on the organization of fundamental research. Also, quantum technologies comprise other fields like quantum telecommunications and quantum sensing with a higher technology readiness level, which are less prone to hype. We then make some proposals to mitigate the potential negative effects of the current quantum hype including recommendations on scientific communication to strengthen the trust in quantum science, vendor behavior improvements, benchmarking methodologies, public education and putting in place a responsible research and innovation approach.

Interpretability is the study of explaining models in understandable terms to humans. At present, interpretability is divided into two paradigms: the intrinsic paradigm, which believes that only models designed to be explained can be explained, and the post-hoc paradigm, which believes that black-box models can be explained. At the core of this debate is how each paradigm ensures its explanations are faithful, i.e., true to the model's behavior. This is important, as false but convincing explanations lead to unsupported confidence in artificial intelligence (AI), which can be dangerous. This paper's position is that we should think about new paradigms while staying vigilant regarding faithfulness. First, by examining the history of paradigms in science, we see that paradigms are constantly evolving. Then, by examining the current paradigms, we can understand their underlying beliefs, the value they bring, and their limitations. Finally, this paper presents 3 emerging paradigms for interpretability. The first paradigm designs models such that faithfulness can be easily measured. Another optimizes models such that explanations become faithful. The last paradigm proposes to develop models that produce both a prediction and an explanation.

We introduce VideoPrism, a general-purpose video encoder that tackles diverse video understanding tasks with a single frozen model. We pretrain VideoPrism on a heterogeneous corpus containing 36M high-quality video-caption pairs and 582M video clips with noisy parallel text (e.g., ASR transcripts). The pretraining approach improves upon masked autoencoding by global-local distillation of semantic video embeddings and a token shuffling scheme, enabling VideoPrism to focus primarily on the video modality while leveraging the invaluable text associated with videos. We extensively test VideoPrism on four broad groups of video understanding tasks, from web video question answering to CV for science, achieving state-of-the-art performance on 30 out of 33 video understanding benchmarks.

Named Entity Recognition (NER) models play a crucial role in various NLP tasks, including information extraction (IE) and text understanding. In academic writing, references to machine learning models and datasets are fundamental components of various computer science publications and necessitate accurate models for identification. Despite the advancements in NER, existing ground truth datasets do not treat fine-grained types like ML model and model architecture as separate entity types, and consequently, baseline models cannot recognize them as such. In this paper, we release a corpus of 100 manually annotated full-text scientific publications and a first baseline model for 10 entity types centered around ML models and datasets. In order to provide a nuanced understanding of how ML models and datasets are mentioned and utilized, our dataset also contains annotations for informal mentions like "our BERT-based model" or "an image CNN". You can find the ground truth dataset and code to replicate model training at https://data.gesis.org/gsap/gsap-ner.

The rise of big data has amplified the need for efficient, user-friendly automated machine learning (AutoML) tools. However, the intricacy of understanding domain-specific data and defining prediction tasks necessitates human intervention making the process time-consuming while preventing full automation. Instead, envision an intelligent agent capable of assisting users in conducting AutoML tasks through intuitive, natural conversations without requiring in-depth knowledge of the underlying machine learning (ML) processes. This agent's key challenge is to accurately comprehend the user's prediction goals and, consequently, formulate precise ML tasks, adjust data sets and model parameters accordingly, and articulate results effectively. In this paper, we take a pioneering step towards this ambitious goal by introducing a ChatGPT-based conversational data-science framework to act as a "personal data scientist". Precisely, we utilize Large Language Models (ChatGPT) to build a natural interface between the users and the ML models (Scikit-Learn), which in turn, allows us to approach this ambitious problem with a realistic solution. Our model pivots around four dialogue states: Data Visualization, Task Formulation, Prediction Engineering, and Result Summary and Recommendation. Each state marks a unique conversation phase, impacting the overall user-system interaction. Multiple LLM instances, serving as "micro-agents", ensure a cohesive conversation flow, granting us granular control over the conversation's progression. In summary, we developed an end-to-end system that not only proves the viability of the novel concept of conversational data science but also underscores the potency of LLMs in solving complex tasks. Interestingly, its development spotlighted several critical weaknesses in the current LLMs (ChatGPT) and highlighted substantial opportunities for improvement.

Purpose: Foundation models, trained on multitudes of public datasets, often require additional fine-tuning or re-prompting mechanisms to be applied to visually distinct target domains such as surgical videos. Further, without domain knowledge, they cannot model the specific semantics of the target domain. Hence, when applied to surgical video segmentation, they fail to generalise to sections where previously tracked objects leave the scene or new objects enter. Methods: We propose SASVi, a novel re-prompting mechanism based on a frame-wise Mask R-CNN Overseer model, which is trained on a minimal amount of scarcely available annotations for the target domain. This model automatically re-prompts the foundation model SAM2 when the scene constellation changes, allowing for temporally smooth and complete segmentation of full surgical videos. Results: Re-prompting based on our Overseer model significantly improves the temporal consistency of surgical video segmentation compared to similar prompting techniques and especially frame-wise segmentation, which neglects temporal information, by at least 1.5%. Our proposed approach allows us to successfully deploy SAM2 to surgical videos, which we quantitatively and qualitatively demonstrate for three different cholecystectomy and cataract surgery datasets. Conclusion: SASVi can serve as a new baseline for smooth and temporally consistent segmentation of surgical videos with scarcely available annotation data. Our method allows us to leverage scarce annotations and obtain complete annotations for full videos of the large-scale counterpart datasets. We make those annotations publicly available, providing extensive annotation data for the future development of surgical data science models.

Evaluations of Large Language Models (LLMs) on knowledge-intensive tasks and factual accuracy often focus on high-resource languages primarily because datasets for low-resource languages (LRLs) are scarce. In this paper, we present Uhura -- a new benchmark that focuses on two tasks in six typologically-diverse African languages, created via human translation of existing English benchmarks. The first dataset, Uhura-ARC-Easy, is composed of multiple-choice science questions. The second, Uhura-TruthfulQA, is a safety benchmark testing the truthfulness of models on topics including health, law, finance, and politics. We highlight the challenges creating benchmarks with highly technical content for LRLs and outline mitigation strategies. Our evaluation reveals a significant performance gap between proprietary models such as GPT-4o and o1-preview, and Claude models, and open-source models like Meta's LLaMA and Google's Gemma. Additionally, all models perform better in English than in African languages. These results indicate that LMs struggle with answering scientific questions and are more prone to generating false claims in low-resource African languages. Our findings underscore the necessity for continuous improvement of multilingual LM capabilities in LRL settings to ensure safe and reliable use in real-world contexts. We open-source the Uhura Benchmark and Uhura Platform to foster further research and development in NLP for LRLs.

Classical Arabic represents a significant era, encompassing the golden age of Arab culture, philosophy, and scientific literature. With a broad consensus on the importance of translating these literatures to enrich knowledge dissemination across communities, the advent of large language models (LLMs) and translation systems offers promising tools to facilitate this goal. However, we have identified a scarcity of translation datasets in Classical Arabic, which are often limited in scope and topics, hindering the development of high-quality translation systems. In response, we present the ATHAR dataset, comprising 66,000 high-quality Classical Arabic to English translation samples that cover a wide array of subjects including science, culture, and philosophy. Furthermore, we assess the performance of current state-of-the-art LLMs under various settings, concluding that there is a need for such datasets in current systems. Our findings highlight how models can benefit from fine-tuning or incorporating this dataset into their pretraining pipelines. The dataset is publicly available on the HuggingFace Data Hub at https://huggingface.co/datasets/mohamed-khalil/ATHAR.

Tokenization significantly influences language models(LMs)' performance. This paper traces the evolution of tokenizers from word-level to subword-level, analyzing how they balance tokens and types to enhance model adaptability while controlling complexity. Despite subword tokenizers like Byte Pair Encoding (BPE) overcoming many word tokenizer limitations, they encounter difficulties in handling non-Latin languages and depend heavily on extensive training data and computational resources to grasp the nuances of multiword expressions (MWEs). This article argues that tokenizers, more than mere technical tools, should drawing inspiration from the cognitive science about human language processing. This study then introduces the "Principle of Least Effort" from cognitive science, that humans naturally seek to reduce cognitive effort, and discusses the benefits of this principle for tokenizer development. Based on this principle, the paper proposes that the Less-is-Better (LiB) model could be a new approach for LLM tokenizer. The LiB model can autonomously learn an integrated vocabulary consisting of subwords, words, and MWEs, which effectively reduces both the numbers of tokens and types. Comparative evaluations show that the LiB tokenizer outperforms existing word and BPE tokenizers, presenting an innovative method for tokenizer development, and hinting at the possibility of future cognitive science-based tokenizers being more efficient.

With the rapid development of Large Language Models (LLMs), it is crucial to have benchmarks which can evaluate the ability of LLMs on different domains. One common use of LLMs is performing tasks on scientific topics, such as writing algorithms, querying databases or giving mathematical proofs. Inspired by the way university students are evaluated on such tasks, in this paper, we propose SciEx - a benchmark consisting of university computer science exam questions, to evaluate LLMs ability on solving scientific tasks. SciEx is (1) multilingual, containing both English and German exams, and (2) multi-modal, containing questions that involve images, and (3) contains various types of freeform questions with different difficulty levels, due to the nature of university exams. We evaluate the performance of various state-of-the-art LLMs on our new benchmark. Since SciEx questions are freeform, it is not straightforward to evaluate LLM performance. Therefore, we provide human expert grading of the LLM outputs on SciEx. We show that the free-form exams in SciEx remain challenging for the current LLMs, where the best LLM only achieves 59.4\% exam grade on average. We also provide detailed comparisons between LLM performance and student performance on SciEx. To enable future evaluation of new LLMs, we propose using LLM-as-a-judge to grade the LLM answers on SciEx. Our experiments show that, although they do not perform perfectly on solving the exams, LLMs are decent as graders, achieving 0.948 Pearson correlation with expert grading.

Modern software systems like the Linux kernel are among the world's largest and most intricate codebases, continually evolving with new features and increasing complexity. Understanding these systems poses significant challenges due to their scale and the unstructured nature of development artifacts such as commits and mailing list discussions. We introduce Code-Survey, the first LLM-driven methodology designed to systematically explore and analyze large-scale codebases. The central principle behind Code-Survey is to treat LLMs as human participants, acknowledging that software development is also a social activity and thereby enabling the application of established social science techniques. By carefully designing surveys, Code-Survey transforms unstructured data, such as commits, emails, into organized, structured, and analyzable datasets. This enables quantitative analysis of complex software evolution and uncovers valuable insights related to design, implementation, maintenance, reliability, and security. To demonstrate the effectiveness of Code-Survey, we apply it to the Linux kernel's eBPF subsystem. We construct the Linux-bpf dataset, comprising over 670 features and 16,000 commits from the Linux community. Our quantitative analysis uncovers important insights into the evolution of eBPF, such as development patterns, feature interdependencies, and areas requiring attention for reliability and security. The insights have been initially validated by eBPF experts. Furthermore, Code-Survey can be directly applied to other subsystems within Linux and to other large-scale software projects. By providing a versatile tool for systematic analysis, Code-Survey facilitates a deeper understanding of complex software systems, enabling improvements across a variety of domains and supporting a wide range of empirical studies. The code and dataset is open-sourced.

Lay summarisation aims to jointly summarise and simplify a given text, thus making its content more comprehensible to non-experts. Automatic approaches for lay summarisation can provide significant value in broadening access to scientific literature, enabling a greater degree of both interdisciplinary knowledge sharing and public understanding when it comes to research findings. However, current corpora for this task are limited in their size and scope, hindering the development of broadly applicable data-driven approaches. Aiming to rectify these issues, we present two novel lay summarisation datasets, PLOS (large-scale) and eLife (medium-scale), each of which contains biomedical journal articles alongside expert-written lay summaries. We provide a thorough characterisation of our lay summaries, highlighting differing levels of readability and abstractiveness between datasets that can be leveraged to support the needs of different applications. Finally, we benchmark our datasets using mainstream summarisation approaches and perform a manual evaluation with domain experts, demonstrating their utility and casting light on the key challenges of this task.

Episodic accretion may be a common occurrence in the evolution of young pre-main sequence stars and has important implications for our understanding of star and planet formation. Many fundamental aspects of what drives the accretion physics, however, are still unknown. The ngVLA will be a key tool in understanding the nature of these events. The high spatial resolution, broad spectral coverage, and unprecedented sensitivity will allow for the detailed analysis of outburst systems. The proposed frequency range of the ngVLA allows for observations of the gas, dust, and non-thermal emission from the star and disk.

Characterizing materials with electron micrographs poses significant challenges for automated labeling due to the complex nature of nanomaterial structures. To address this, we introduce a fully automated, end-to-end pipeline that leverages recent advances in Generative AI. It is designed for analyzing and understanding the microstructures of semiconductor materials with effectiveness comparable to that of human experts, contributing to the pursuit of Artificial General Intelligence (AGI) in nanomaterial identification. Our approach utilizes Large MultiModal Models (LMMs) such as GPT-4V, alongside text-to-image models like DALLE-3. We integrate a GPT-4 guided Visual Question Answering (VQA) method to analyze nanomaterial images, generate synthetic nanomaterial images via DALLE-3, and employ in-context learning with few-shot prompting in GPT-4V for accurate nanomaterial identification. Our method surpasses traditional techniques by enhancing the precision of nanomaterial identification and optimizing the process for high-throughput screening.

Insect-pests significantly impact global agricultural productivity and quality. Effective management involves identifying the full insect community, including beneficial insects and harmful pests, to develop and implement integrated pest management strategies. Automated identification of insects under real-world conditions presents several challenges, including differentiating similar-looking species, intra-species dissimilarity and inter-species similarity, several life cycle stages, camouflage, diverse imaging conditions, and variability in insect orientation. A deep-learning model, InsectNet, is proposed to address these challenges. InsectNet is endowed with five key features: (a) utilization of a large dataset of insect images collected through citizen science; (b) label-free self-supervised learning for large models; (c) improving prediction accuracy for species with a small sample size; (d) enhancing model trustworthiness; and (e) democratizing access through streamlined MLOps. This approach allows accurate identification (>96% accuracy) of over 2500 insect species, including pollinator (e.g., butterflies, bees), parasitoid (e.g., some wasps and flies), predator species (e.g., lady beetles, mantises, dragonflies) and harmful pest species (e.g., armyworms, cutworms, grasshoppers, stink bugs). InsectNet can identify invasive species, provide fine-grained insect species identification, and work effectively in challenging backgrounds. It also can abstain from making predictions when uncertain, facilitating seamless human intervention and making it a practical and trustworthy tool. InsectNet can guide citizen science data collection, especially for invasive species where early detection is crucial. Similar approaches may transform other agricultural challenges like disease detection and underscore the importance of data collection, particularly through citizen science efforts..

Galaxy Zoo: Clump Scout is a web-based citizen science project designed to identify and spatially locate giant star forming clumps in galaxies that were imaged by the Sloan Digital Sky Survey Legacy Survey. We present a statistically driven software framework that is designed to aggregate two-dimensional annotations of clump locations provided by multiple independent Galaxy Zoo: Clump Scout volunteers and generate a consensus label that identifies the locations of probable clumps within each galaxy. The statistical model our framework is based on allows us to assign false-positive probabilities to each of the clumps we identify, to estimate the skill levels of each of the volunteers who contribute to Galaxy Zoo: Clump Scout and also to quantitatively assess the reliability of the consensus labels that are derived for each subject. We apply our framework to a dataset containing 3,561,454 two-dimensional points, which constitute 1,739,259 annotations of 85,286 distinct subjects provided by 20,999 volunteers. Using this dataset, we identify 128,100 potential clumps distributed among 44,126 galaxies. This dataset can be used to study the prevalence and demographics of giant star forming clumps in low-redshift galaxies. The code for our aggregation software framework is publicly available at: https://github.com/ou-astrophysics/BoxAggregator

Intelligent agents powered by large language models (LLMs) have demonstrated substantial promise in autonomously conducting experiments and facilitating scientific discoveries across various disciplines. While their capabilities are promising, they also introduce novel vulnerabilities that demand careful consideration for safety. However, there exists a notable gap in the literature, as there has been no comprehensive exploration of these vulnerabilities. This position paper fills this gap by conducting a thorough examination of vulnerabilities in LLM-based agents within scientific domains, shedding light on potential risks associated with their misuse and emphasizing the need for safety measures. We begin by providing a comprehensive overview of the potential risks inherent to scientific LLM agents, taking into account user intent, the specific scientific domain, and their potential impact on the external environment. Then, we delve into the origins of these vulnerabilities and provide a scoping review of the limited existing works. Based on our analysis, we propose a triadic framework involving human regulation, agent alignment, and an understanding of environmental feedback (agent regulation) to mitigate these identified risks. Furthermore, we highlight the limitations and challenges associated with safeguarding scientific agents and advocate for the development of improved models, robust benchmarks, and comprehensive regulations to address these issues effectively.

Measuring diversity accurately is important for many scientific fields, including machine learning (ML), ecology, and chemistry. The Vendi Score was introduced as a generic similarity-based diversity metric that extends the Hill number of order q=1 by leveraging ideas from quantum statistical mechanics. Contrary to many diversity metrics in ecology, the Vendi Score accounts for similarity and does not require knowledge of the prevalence of the categories in the collection to be evaluated for diversity. However, the Vendi Score treats each item in a given collection with a level of sensitivity proportional to the item's prevalence. This is undesirable in settings where there is a significant imbalance in item prevalence. In this paper, we extend the other Hill numbers using similarity to provide flexibility in allocating sensitivity to rare or common items. This leads to a family of diversity metrics -- Vendi scores with different levels of sensitivity -- that can be used in a variety of applications. We study the properties of the scores in a synthetic controlled setting where the ground truth diversity is known. We then test their utility in improving molecular simulations via Vendi Sampling. Finally, we use the Vendi scores to better understand the behavior of image generative models in terms of memorization, duplication, diversity, and sample quality.

Probabilistic text generators have been used to produce fake scientific papers for more than a decade. Such nonsensical papers are easily detected by both human and machine. Now more complex AI-powered generation techniques produce texts indistinguishable from that of humans and the generation of scientific texts from a few keywords has been documented. Our study introduces the concept of tortured phrases: unexpected weird phrases in lieu of established ones, such as 'counterfeit consciousness' instead of 'artificial intelligence.' We combed the literature for tortured phrases and study one reputable journal where these concentrated en masse. Hypothesising the use of advanced language models we ran a detector on the abstracts of recent articles of this journal and on several control sets. The pairwise comparisons reveal a concentration of abstracts flagged as 'synthetic' in the journal. We also highlight irregularities in its operation, such as abrupt changes in editorial timelines. We substantiate our call for investigation by analysing several individual dubious articles, stressing questionable features: tortured writing style, citation of non-existent literature, and unacknowledged image reuse. Surprisingly, some websites offer to rewrite texts for free, generating gobbledegook full of tortured phrases. We believe some authors used rewritten texts to pad their manuscripts. We wish to raise the awareness on publications containing such questionable AI-generated or rewritten texts that passed (poor) peer review. Deception with synthetic texts threatens the integrity of the scientific literature.

Through the success of deep learning in various domains, artificial neural networks are currently among the most used artificial intelligence methods. Taking inspiration from the network properties of biological neural networks (e.g. sparsity, scale-freeness), we argue that (contrary to general practice) artificial neural networks, too, should not have fully-connected layers. Here we propose sparse evolutionary training of artificial neural networks, an algorithm which evolves an initial sparse topology (Erdos-R\'enyi random graph) of two consecutive layers of neurons into a scale-free topology, during learning. Our method replaces artificial neural networks fully-connected layers with sparse ones before training, reducing quadratically the number of parameters, with no decrease in accuracy. We demonstrate our claims on restricted Boltzmann machines, multi-layer perceptrons, and convolutional neural networks for unsupervised and supervised learning on 15 datasets. Our approach has the potential to enable artificial neural networks to scale up beyond what is currently possible.

We propose an instruction-based process for trustworthy data curation in materials science (MatSci-Instruct), which we then apply to finetune a LLaMa-based language model targeted for materials science (HoneyBee). MatSci-Instruct helps alleviate the scarcity of relevant, high-quality materials science textual data available in the open literature, and HoneyBee is the first billion-parameter language model specialized to materials science. In MatSci-Instruct we improve the trustworthiness of generated data by prompting multiple commercially available large language models for generation with an Instructor module (e.g. Chat-GPT) and verification from an independent Verifier module (e.g. Claude). Using MatSci-Instruct, we construct a dataset of multiple tasks and measure the quality of our dataset along multiple dimensions, including accuracy against known facts, relevance to materials science, as well as completeness and reasonableness of the data. Moreover, we iteratively generate more targeted instructions and instruction-data in a finetuning-evaluation-feedback loop leading to progressively better performance for our finetuned HoneyBee models. Our evaluation on the MatSci-NLP benchmark shows HoneyBee's outperformance of existing language models on materials science tasks and iterative improvement in successive stages of instruction-data refinement. We study the quality of HoneyBee's language modeling through automatic evaluation and analyze case studies to further understand the model's capabilities and limitations. Our code and relevant datasets are publicly available at https://github.com/BangLab-UdeM-Mila/NLP4MatSci-HoneyBee.

Artificial Intelligence (AI), with ChatGPT as a prominent example, has recently taken center stage in various domains including higher education, particularly in Computer Science and Engineering (CSE). The AI revolution brings both convenience and controversy, offering substantial benefits while lacking formal guidance on their application. The primary objective of this work is to comprehensively analyze the pedagogical potential of ChatGPT in CSE education, understanding its strengths and limitations from the perspectives of educators and learners. We employ a systematic approach, creating a diverse range of educational practice problems within CSE field, focusing on various subjects such as data science, programming, AI, machine learning, networks, and more. According to our examinations, certain question types, like conceptual knowledge queries, typically do not pose significant challenges to ChatGPT, and thus, are excluded from our analysis. Alternatively, we focus our efforts on developing more in-depth and personalized questions and project-based tasks. These questions are presented to ChatGPT, followed by interactions to assess its effectiveness in delivering complete and meaningful responses. To this end, we propose a comprehensive five-factor reliability analysis framework to evaluate the responses. This assessment aims to identify when ChatGPT excels and when it faces challenges. Our study concludes with a correlation analysis, delving into the relationships among subjects, task types, and limiting factors. This analysis offers valuable insights to enhance ChatGPT's utility in CSE education, providing guidance to educators and students regarding its reliability and efficacy.

Large Language Models (LLMs) have recently demonstrated exceptional performance in various Natural Language Processing (NLP) tasks. They have also shown the ability to perform chain-of-thought (CoT) reasoning to solve complex problems. Recent studies have explored CoT reasoning in complex multimodal scenarios, such as the science question answering task, by fine-tuning multimodal models with high-quality human-annotated CoT rationales. However, collecting high-quality COT rationales is usually time-consuming and costly. Besides, the annotated rationales are hardly accurate due to the external essential information missed. To address these issues, we propose a novel method termed T-SciQ that aims at teaching science question answering with LLM signals. The T-SciQ approach generates high-quality CoT rationales as teaching signals and is advanced to train much smaller models to perform CoT reasoning in complex modalities. Additionally, we introduce a novel data mixing strategy to produce more effective teaching data samples by policy for simple and complex science question answer problems. Extensive experimental results show that our T-SciQ method achieves a new state-of-the-art performance on the ScienceQA benchmark, with an accuracy of 96.18\%. Moreover, our approach outperforms the most powerful fine-tuned baseline by 4.5\%.

Large Language Models (LLMs) are distinguished by their architecture, which dictates their parameter size and performance capabilities. Social scientists have increasingly adopted LLMs for text classification tasks, which are difficult to scale with human coders. While very large, closed-source models often deliver superior performance, their use presents significant risks. These include lack of transparency, potential exposure of sensitive data, challenges to replicability, and dependence on proprietary systems. Additionally, their high costs make them impractical for large-scale research projects. In contrast, open-source models, although available in various sizes, may underperform compared to commercial alternatives if used without further fine-tuning. However, open-source models offer distinct advantages: they can be run locally (ensuring data privacy), fine-tuned for specific tasks, shared within the research community, and integrated into reproducible workflows. This study demonstrates that small, fine-tuned open-source LLMs can achieve equal or superior performance to models such as ChatGPT-4. We further explore the relationship between training set size and fine-tuning efficacy in open-source models. Finally, we propose a hybrid workflow that leverages the strengths of both open and closed models, offering a balanced approach to performance, transparency, and reproducibility.

Efficient molecular modeling and design are crucial for the discovery and exploration of novel molecules, and the incorporation of deep learning methods has revolutionized this field. In particular, large language models (LLMs) offer a fresh approach to tackle scientific problems from a natural language processing (NLP) perspective, introducing a research paradigm called scientific language modeling (SLM). However, two key issues remain: how to quantify the match between model and data modalities and how to identify the knowledge-learning preferences of models. To address these challenges, we propose a multi-modal benchmark, named ChEBI-20-MM, and perform 1263 experiments to assess the model's compatibility with data modalities and knowledge acquisition. Through the modal transition probability matrix, we provide insights into the most suitable modalities for tasks. Furthermore, we introduce a statistically interpretable approach to discover context-specific knowledge mapping by localized feature filtering. Our pioneering analysis offers an exploration of the learning mechanism and paves the way for advancing SLM in molecular science.

Over the past year, the development of large language models (LLMs) has brought spatial intelligence into focus, with much attention on vision-based embodied intelligence. However, spatial intelligence spans a broader range of disciplines and scales, from navigation and urban planning to remote sensing and earth science. What are the differences and connections between spatial intelligence across these fields? In this paper, we first review human spatial cognition and its implications for spatial intelligence in LLMs. We then examine spatial memory, knowledge representations, and abstract reasoning in LLMs, highlighting their roles and connections. Finally, we analyze spatial intelligence across scales -- from embodied to urban and global levels -- following a framework that progresses from spatial memory and understanding to spatial reasoning and intelligence. Through this survey, we aim to provide insights into interdisciplinary spatial intelligence research and inspire future studies.

AI has achieved remarkable mastery over games such as Chess, Go, and Poker, and even Jeopardy, but the rich variety of standardized exams has remained a landmark challenge. Even in 2016, the best AI system achieved merely 59.3% on an 8th Grade science exam challenge. This paper reports unprecedented success on the Grade 8 New York Regents Science Exam, where for the first time a system scores more than 90% on the exam's non-diagram, multiple choice (NDMC) questions. In addition, our Aristo system, building upon the success of recent language models, exceeded 83% on the corresponding Grade 12 Science Exam NDMC questions. The results, on unseen test questions, are robust across different test years and different variations of this kind of test. They demonstrate that modern NLP methods can result in mastery on this task. While not a full solution to general question-answering (the questions are multiple choice, and the domain is restricted to 8th Grade science), it represents a significant milestone for the field.

I argue that data becomes temporarily interesting by itself to some self-improving, but computationally limited, subjective observer once he learns to predict or compress the data in a better way, thus making it subjectively simpler and more beautiful. Curiosity is the desire to create or discover more non-random, non-arbitrary, regular data that is novel and surprising not in the traditional sense of Boltzmann and Shannon but in the sense that it allows for compression progress because its regularity was not yet known. This drive maximizes interestingness, the first derivative of subjective beauty or compressibility, that is, the steepness of the learning curve. It motivates exploring infants, pure mathematicians, composers, artists, dancers, comedians, yourself, and (since 1990) artificial systems.

The development of robust safety benchmarks for large language models requires open, reproducible datasets that can measure both appropriate refusal of harmful content and potential over-restriction of legitimate scientific discourse. We present an open-source dataset and testing framework for evaluating LLM safety mechanisms across mainly controlled substance queries, analyzing four major models' responses to systematically varied prompts. Our results reveal distinct safety profiles: Claude-3.5-sonnet demonstrated the most conservative approach with 73% refusals and 27% allowances, while Mistral attempted to answer 100% of queries. GPT-3.5-turbo showed moderate restriction with 10% refusals and 90% allowances, and Grok-2 registered 20% refusals and 80% allowances. Testing prompt variation strategies revealed decreasing response consistency, from 85% with single prompts to 65% with five variations. This publicly available benchmark enables systematic evaluation of the critical balance between necessary safety restrictions and potential over-censorship of legitimate scientific inquiry, while providing a foundation for measuring progress in AI safety implementation. Chain-of-thought analysis reveals potential vulnerabilities in safety mechanisms, highlighting the complexity of implementing robust safeguards without unduly restricting desirable and valid scientific discourse.

This Perspective explores the transformative potential of Multi-Agent Systems (MAS) powered by Large Language Models (LLMs) in the geosciences. Users of geoscientific data repositories face challenges due to the complexity and diversity of data formats, inconsistent metadata practices, and a considerable number of unprocessed datasets. MAS possesses transformative potential for improving scientists' interaction with geoscientific data by enabling intelligent data processing, natural language interfaces, and collaborative problem-solving capabilities. We illustrate this approach with "PANGAEA GPT", a specialized MAS pipeline integrated with the diverse PANGAEA database for Earth and Environmental Science, demonstrating how MAS-driven workflows can effectively manage complex datasets and accelerate scientific discovery. We discuss how MAS can address current data challenges in geosciences, highlight advancements in other scientific fields, and propose future directions for integrating MAS into geoscientific data processing pipelines. In this Perspective, we show how MAS can fundamentally improve data accessibility, promote cross-disciplinary collaboration, and accelerate geoscientific discoveries.

We report the delivery to the Mikulski Archive for Space Telescopes of target pixel and light curve files for up to 160,000 targets selected from full-frame images (FFI) for each TESS Northern hemisphere observing sector. The data include calibrated target pixels, simple aperture photometry flux time series, and presearch data conditioning corrected flux time series. These data provide TESS users with high quality, uniform pipeline products for a selection of FFI targets, that would otherwise not be readily available. Additionally, we deliver cotrending basis vectors derived from the FFI targets to allow users to perform their own systematic error corrections. The selected targets include all 2-minute targets and additional targets selected from the TESS Input Catalog with a maximum of 10,000 targets per sector on each of the sixteen TESS CCDs. The data products are in the same format as the project-delivered files for the TESS 2-minute targets. All of the TESS-SPOC data products are available at the MAST as a High Level Science Product via https://doi.org/10.17909/t9-wpz1-8s54.

Rapid development of artificial intelligence has drastically accelerated the development of scientific discovery. Trained with large-scale observation data, deep neural networks extract the underlying patterns in an end-to-end manner and assist human researchers with highly-precised predictions in unseen scenarios. The recent rise of Large Language Models (LLMs) and the empowered autonomous agents enable scientists to gain help through interaction in different stages of their research, including but not limited to literature review, research ideation, idea implementation, and academic writing. However, AI researchers instantiated by foundation model empowered agents with full-process autonomy are still in their infancy. In this paper, we study AI-Generated Science (AIGS), where agents independently and autonomously complete the entire research process and discover scientific laws. By revisiting the definition of scientific research, we argue that falsification is the essence of both human research process and the design of an AIGS system. Through the lens of falsification, prior systems attempting towards AI-Generated Science either lack the part in their design, or rely heavily on existing verification engines that narrow the use in specialized domains. In this work, we propose Baby-AIGS as a baby-step demonstration of a full-process AIGS system, which is a multi-agent system with agents in roles representing key research process. By introducing FalsificationAgent, which identify and then verify possible scientific discoveries, we empower the system with explicit falsification. Experiments on three tasks preliminarily show that Baby-AIGS could produce meaningful scientific discoveries, though not on par with experienced human researchers. Finally, we discuss on the limitations of current Baby-AIGS, actionable insights, and related ethical issues in detail.

In scientific research and its application, scientific literature analysis is crucial as it allows researchers to build on the work of others. However, the fast growth of scientific knowledge has led to a massive increase in scholarly articles, making in-depth literature analysis increasingly challenging and time-consuming. The emergence of Large Language Models (LLMs) has offered a new way to address this challenge. Known for their strong abilities in summarizing texts, LLMs are seen as a potential tool to improve the analysis of scientific literature. However, existing LLMs have their own limits. Scientific literature often includes a wide range of multimodal elements, such as molecular structure, tables, and charts, which are hard for text-focused LLMs to understand and analyze. This issue points to the urgent need for new solutions that can fully understand and analyze multimodal content in scientific literature. To answer this demand, we present Uni-SMART (Universal Science Multimodal Analysis and Research Transformer), an innovative model designed for in-depth understanding of multimodal scientific literature. Through rigorous quantitative evaluation across several domains, Uni-SMART demonstrates superior performance over leading text-focused LLMs. Furthermore, our exploration extends to practical applications, including patent infringement detection and nuanced analysis of charts. These applications not only highlight Uni-SMART's adaptability but also its potential to revolutionize how we interact with scientific literature.

The characterization and analysis of light curves are vital for understanding the physical and rotational properties of artificial space objects such as satellites, rocket stages, and space debris. This paper introduces the Light Curve Dataset Creator (LCDC), a Python-based toolkit designed to facilitate the preprocessing, analysis, and machine learning applications of light curve data. LCDC enables seamless integration with publicly available datasets, such as the newly introduced Mini Mega Tortora (MMT) database. Moreover, it offers data filtering, transformation, as well as feature extraction tooling. To demonstrate the toolkit's capabilities, we created the first standardized dataset for rocket body classification, RoBo6, which was used to train and evaluate several benchmark machine learning models, addressing the lack of reproducibility and comparability in recent studies. Furthermore, the toolkit enables advanced scientific analyses, such as surface characterization of the Atlas 2AS Centaur and the rotational dynamics of the Delta 4 rocket body, by streamlining data preprocessing, feature extraction, and visualization. These use cases highlight LCDC's potential to advance space debris characterization and promote sustainable space exploration. Additionally, they highlight the toolkit's ability to enable AI-focused research within the space debris community.

With the advent of large multimodal language models, science is now at a threshold of an AI-based technological transformation. Recently, a plethora of new AI models and tools has been proposed, promising to empower researchers and academics worldwide to conduct their research more effectively and efficiently. This includes all aspects of the research cycle, especially (1) searching for relevant literature; (2) generating research ideas and conducting experimentation; generating (3) text-based and (4) multimodal content (e.g., scientific figures and diagrams); and (5) AI-based automatic peer review. In this survey, we provide an in-depth overview over these exciting recent developments, which promise to fundamentally alter the scientific research process for good. Our survey covers the five aspects outlined above, indicating relevant datasets, methods and results (including evaluation) as well as limitations and scope for future research. Ethical concerns regarding shortcomings of these tools and potential for misuse (fake science, plagiarism, harms to research integrity) take a particularly prominent place in our discussion. We hope that our survey will not only become a reference guide for newcomers to the field but also a catalyst for new AI-based initiatives in the area of "AI4Science".

Extracting key information from scientific papers has the potential to help researchers work more efficiently and accelerate the pace of scientific progress. Over the last few years, research on Scientific Information Extraction (SciIE) witnessed the release of several new systems and benchmarks. However, existing paper-focused datasets mostly focus only on specific parts of a manuscript (e.g., abstracts) and are single-modality (i.e., text- or table-only), due to complex processing and expensive annotations. Moreover, core information can be present in either text or tables or across both. To close this gap in data availability and enable cross-modality IE, while alleviating labeling costs, we propose a semi-supervised pipeline for annotating entities in text, as well as entities and relations in tables, in an iterative procedure. Based on this pipeline, we release novel resources for the scientific community, including a high-quality benchmark, a large-scale corpus, and a semi-supervised annotation pipeline. We further report the performance of state-of-the-art IE models on the proposed benchmark dataset, as a baseline. Lastly, we explore the potential capability of large language models such as ChatGPT for the current task. Our new dataset, results, and analysis validate the effectiveness and efficiency of our semi-supervised pipeline, and we discuss its remaining limitations.

Recent advances in large language models (LLMs) have enabled the development of AI agents that exhibit increasingly human-like behaviors, including planning, adaptation, and social dynamics across diverse, interactive, and open-ended scenarios. These behaviors are not solely the product of the internal architectures of the underlying models, but emerge from their integration into agentic systems operating within specific contexts, where environmental factors, social cues, and interaction feedbacks shape behavior over time. This evolution necessitates a new scientific perspective: AI Agent Behavioral Science. Rather than focusing only on internal mechanisms, this perspective emphasizes the systematic observation of behavior, design of interventions to test hypotheses, and theory-guided interpretation of how AI agents act, adapt, and interact over time. We systematize a growing body of research across individual agent, multi-agent, and human-agent interaction settings, and further demonstrate how this perspective informs responsible AI by treating fairness, safety, interpretability, accountability, and privacy as behavioral properties. By unifying recent findings and laying out future directions, we position AI Agent Behavioral Science as a necessary complement to traditional model-centric approaches, providing essential tools for understanding, evaluating, and governing the real-world behavior of increasingly autonomous AI systems.

As foundation models grow rapidly in capability and deployment, evaluating their scientific understanding becomes increasingly critical. Existing science benchmarks have made progress towards broad **Range**, wide **Reach**, and high **Rigor**, yet they often face two major challenges: **data leakage risks** that compromise benchmarking validity, and **evaluation inefficiency** due to large-scale testing. To address these issues, we introduce the **Ever-Evolving Science Exam (EESE)**, a dynamic benchmark designed to reliably assess scientific capabilities in foundation models. Our approach consists of two components: 1) a non-public **EESE-Pool** with over 100K expertly constructed science instances (question-answer pairs) across 5 disciplines and 500+ subfields, built through a multi-stage pipeline ensuring **Range**, **Reach**, and **Rigor**, 2) a periodically updated 500-instance subset **EESE**, sampled and validated to enable leakage-resilient, low-overhead evaluations. Experiments on 32 open- and closed-source models demonstrate that EESE effectively differentiates the strengths and weaknesses of models in scientific fields and cognitive dimensions. Overall, EESE provides a robust, scalable, and forward-compatible solution for science benchmark design, offering a realistic measure of how well foundation models handle science questions. The project page is at: https://github.com/aiben-ch/EESE.

Science journalism refers to the task of reporting technical findings of a scientific paper as a less technical news article to the general public audience. We aim to design an automated system to support this real-world task (i.e., automatic science journalism) by 1) introducing a newly-constructed and real-world dataset (SciTechNews), with tuples of a publicly-available scientific paper, its corresponding news article, and an expert-written short summary snippet; 2) proposing a novel technical framework that integrates a paper's discourse structure with its metadata to guide generation; and, 3) demonstrating with extensive automatic and human experiments that our framework outperforms other baseline methods (e.g. Alpaca and ChatGPT) in elaborating a content plan meaningful for the target audience, simplifying the information selected, and producing a coherent final report in a layman's style.

Language models (LMs) can perform complex reasoning either end-to-end, with hidden latent state, or compositionally, with transparent intermediate state. Composition offers benefits for interpretability and safety, but may need workflow support and infrastructure to remain competitive. We describe iterated decomposition, a human-in-the-loop workflow for developing and refining compositional LM programs. We improve the performance of compositions by zooming in on failing components and refining them through decomposition, additional context, chain of thought, etc. To support this workflow, we develop ICE, an open-source tool for visualizing the execution traces of LM programs. We apply iterated decomposition to three real-world tasks and improve the accuracy of LM programs over less compositional baselines: describing the placebo used in a randomized controlled trial (25% to 65%), evaluating participant adherence to a medical intervention (53% to 70%), and answering NLP questions on the Qasper dataset (38% to 69%). These applications serve as case studies for a workflow that, if automated, could keep ML systems interpretable and safe even as they scale to increasingly complex tasks.

Large Language Models (LLMs) and Large Vision-Language Models (LVLMs) have demonstrated impressive language/vision reasoning abilities, igniting the recent trend of building agents for targeted applications such as shopping assistants or AI software engineers. Recently, many data science benchmarks have been proposed to investigate their performance in the data science domain. However, existing data science benchmarks still fall short when compared to real-world data science applications due to their simplified settings. To bridge this gap, we introduce DSBench, a comprehensive benchmark designed to evaluate data science agents with realistic tasks. This benchmark includes 466 data analysis tasks and 74 data modeling tasks, sourced from Eloquence and Kaggle competitions. DSBench offers a realistic setting by encompassing long contexts, multimodal task backgrounds, reasoning with large data files and multi-table structures, and performing end-to-end data modeling tasks. Our evaluation of state-of-the-art LLMs, LVLMs, and agents shows that they struggle with most tasks, with the best agent solving only 34.12% of data analysis tasks and achieving a 34.74% Relative Performance Gap (RPG). These findings underscore the need for further advancements in developing more practical, intelligent, and autonomous data science agents.

Urban causal research is essential for understanding the complex dynamics of cities and informing evidence-based policies. However, it is challenged by the inefficiency and bias of hypothesis generation, barriers to multimodal data complexity, and the methodological fragility of causal experimentation. Recent advances in large language models (LLMs) present an opportunity to rethink how urban causal analysis is conducted. This Perspective examines current urban causal research by analyzing taxonomies that categorize research topics, data sources, and methodological approaches to identify structural gaps. We then introduce an LLM-driven conceptual framework, AutoUrbanCI, composed of four distinct modular agents responsible for hypothesis generation, data engineering, experiment design and execution, and results interpretation with policy recommendations. We propose evaluation criteria for rigor and transparency and reflect on implications for human-AI collaboration, equity, and accountability. We call for a new research agenda that embraces AI-augmented workflows not as replacements for human expertise but as tools to broaden participation, improve reproducibility, and unlock more inclusive forms of urban causal reasoning.

This study is dedicated to assessing the capabilities of large language models (LLMs) such as GPT-3.5-Turbo, GPT-4, and GPT-4-Turbo in extracting structured information from scientific documents in materials science. To this end, we primarily focus on two critical tasks of information extraction: (i) a named entity recognition (NER) of studied materials and physical properties and (ii) a relation extraction (RE) between these entities. Due to the evident lack of datasets within Materials Informatics (MI), we evaluated using SuperMat, based on superconductor research, and MeasEval, a generic measurement evaluation corpus. The performance of LLMs in executing these tasks is benchmarked against traditional models based on the BERT architecture and rule-based approaches (baseline). We introduce a novel methodology for the comparative analysis of intricate material expressions, emphasising the standardisation of chemical formulas to tackle the complexities inherent in materials science information assessment. For NER, LLMs fail to outperform the baseline with zero-shot prompting and exhibit only limited improvement with few-shot prompting. However, a GPT-3.5-Turbo fine-tuned with the appropriate strategy for RE outperforms all models, including the baseline. Without any fine-tuning, GPT-4 and GPT-4-Turbo display remarkable reasoning and relationship extraction capabilities after being provided with merely a couple of examples, surpassing the baseline. Overall, the results suggest that although LLMs demonstrate relevant reasoning skills in connecting concepts, specialised models are currently a better choice for tasks requiring extracting complex domain-specific entities like materials. These insights provide initial guidance applicable to other materials science sub-domains in future work.

Figurative language is ubiquitous in English. Yet, the vast majority of NLP research focuses on literal language. Existing text representations by design rely on compositionality, while figurative language is often non-compositional. In this paper, we study the interpretation of two non-compositional figurative languages (idioms and similes). We collected datasets of fictional narratives containing a figurative expression along with crowd-sourced plausible and implausible continuations relying on the correct interpretation of the expression. We then trained models to choose or generate the plausible continuation. Our experiments show that models based solely on pre-trained language models perform substantially worse than humans on these tasks. We additionally propose knowledge-enhanced models, adopting human strategies for interpreting figurative language types : inferring meaning from the context and relying on the constituent words' literal meanings. The knowledge-enhanced models improve the performance on both the discriminative and generative tasks, further bridging the gap from human performance.

The advancement of natural language processing has paved the way for automated scoring systems in various languages, such as German (e.g., German BERT [G-BERT]). Automatically scoring written responses to science questions in German is a complex task and challenging for standard G-BERT as they lack contextual knowledge in the science domain and may be unaligned with student writing styles. This paper presents a contextualized German Science Education BERT (G-SciEdBERT), an innovative large language model tailored for scoring German-written responses to science tasks and beyond. Using G-BERT, we pre-trained G-SciEdBERT on a corpus of 30K German written science responses with 3M tokens on the Programme for International Student Assessment (PISA) 2018. We fine-tuned G-SciEdBERT on an additional 20K student-written responses with 2M tokens and examined the scoring accuracy. We then compared its scoring performance with G-BERT. Our findings revealed a substantial improvement in scoring accuracy with G-SciEdBERT, demonstrating a 10.2% increase of quadratic weighted Kappa compared to G-BERT (mean difference = 0.1026, SD = 0.069). These insights underline the significance of specialized language models like G-SciEdBERT, which is trained to enhance the accuracy of contextualized automated scoring, offering a substantial contribution to the field of AI in education.

In light of the rapidly evolving capabilities of large language models (LLMs), it becomes imperative to develop rigorous domain-specific evaluation benchmarks to accurately assess their capabilities. In response to this need, this paper introduces ArcMMLU, a specialized benchmark tailored for the Library & Information Science (LIS) domain in Chinese. This benchmark aims to measure the knowledge and reasoning capability of LLMs within four key sub-domains: Archival Science, Data Science, Library Science, and Information Science. Following the format of MMLU/CMMLU, we collected over 6,000 high-quality questions for the compilation of ArcMMLU. This extensive compilation can reflect the diverse nature of the LIS domain and offer a robust foundation for LLM evaluation. Our comprehensive evaluation reveals that while most mainstream LLMs achieve an average accuracy rate above 50% on ArcMMLU, there remains a notable performance gap, suggesting substantial headroom for refinement in LLM capabilities within the LIS domain. Further analysis explores the effectiveness of few-shot examples on model performance and highlights challenging questions where models consistently underperform, providing valuable insights for targeted improvements. ArcMMLU fills a critical gap in LLM evaluations within the Chinese LIS domain and paves the way for future development of LLMs tailored to this specialized area.

Pre-trained large language models (PLMs) have the potential to support urban science research through content creation, information extraction, assisted programming, text classification, and other technical advances. In this research, we explored the opportunities, challenges, and prospects of PLMs in urban science research. Specifically, we discussed potential applications of PLMs to urban institution, urban space, urban information, and citizen behaviors research through seven examples using ChatGPT. We also examined the challenges of PLMs in urban science research from both technical and social perspectives. The prospects of the application of PLMs in urban science research were then proposed. We found that PLMs can effectively aid in understanding complex concepts in urban science, facilitate urban spatial form identification, assist in disaster monitoring, and sense public sentiment. At the same time, however, the applications of PLMs in urban science research face evident threats, such as technical limitations, security, privacy, and social bias. The development of fundamental models based on domain knowledge and human-AI collaboration may help improve PLMs to support urban science research in future.

PySR is an open-source library for practical symbolic regression, a type of machine learning which aims to discover human-interpretable symbolic models. PySR was developed to democratize and popularize symbolic regression for the sciences, and is built on a high-performance distributed back-end, a flexible search algorithm, and interfaces with several deep learning packages. PySR's internal search algorithm is a multi-population evolutionary algorithm, which consists of a unique evolve-simplify-optimize loop, designed for optimization of unknown scalar constants in newly-discovered empirical expressions. PySR's backend is the extremely optimized Julia library SymbolicRegression.jl, which can be used directly from Julia. It is capable of fusing user-defined operators into SIMD kernels at runtime, performing automatic differentiation, and distributing populations of expressions to thousands of cores across a cluster. In describing this software, we also introduce a new benchmark, "EmpiricalBench," to quantify the applicability of symbolic regression algorithms in science. This benchmark measures recovery of historical empirical equations from original and synthetic datasets.

Domain-specific named entity recognition (NER) on Computer Science (CS) scholarly articles is an information extraction task that is arguably more challenging for the various annotation aims that can beset the task and has been less studied than NER in the general domain. Given that significant progress has been made on NER, we believe that scholarly domain-specific NER will receive increasing attention in the years to come. Currently, progress on CS NER -- the focus of this work -- is hampered in part by its recency and the lack of a standardized annotation aim for scientific entities/terms. This work proposes a standardized task by defining a set of seven contribution-centric scholarly entities for CS NER viz., research problem, solution, resource, language, tool, method, and dataset. Following which, its main contributions are: combines existing CS NER resources that maintain their annotation focus on the set or subset of contribution-centric scholarly entities we consider; further, noting the need for big data to train neural NER models, this work additionally supplies thousands of contribution-centric entity annotations from article titles and abstracts, thus releasing a cumulative large novel resource for CS NER; and, finally, trains a sequence labeling CS NER model inspired after state-of-the-art neural architectures from the general domain NER task. Throughout the work, several practical considerations are made which can be useful to information technology designers of the digital libraries.

As the field of automated machine learning (AutoML) advances, it becomes increasingly important to incorporate domain knowledge into these systems. We present an approach for doing so by harnessing the power of large language models (LLMs). Specifically, we introduce Context-Aware Automated Feature Engineering (CAAFE), a feature engineering method for tabular datasets that utilizes an LLM to iteratively generate additional semantically meaningful features for tabular datasets based on the description of the dataset. The method produces both Python code for creating new features and explanations for the utility of the generated features. Despite being methodologically simple, CAAFE improves performance on 11 out of 14 datasets -- boosting mean ROC AUC performance from 0.798 to 0.822 across all dataset - similar to the improvement achieved by using a random forest instead of logistic regression on our datasets. Furthermore, CAAFE is interpretable by providing a textual explanation for each generated feature. CAAFE paves the way for more extensive semi-automation in data science tasks and emphasizes the significance of context-aware solutions that can extend the scope of AutoML systems to semantic AutoML. We release our https://github.com/automl/CAAFE{code}, a simple https://colab.research.google.com/drive/1mCA8xOAJZ4MaB_alZvyARTMjhl6RZf0a{demo} and a https://pypi.org/project/caafe/{python package}.

We propose a novel Chain Guided Retriever-reader ({\tt CGR}) framework to model the reasoning chain for multi-hop Science Question Answering. Our framework is capable of performing explainable reasoning without the need of any corpus-specific annotations, such as the ground-truth reasoning chain, or human-annotated entity mentions. Specifically, we first generate reasoning chains from a semantic graph constructed by Abstract Meaning Representation of retrieved evidence facts. A Chain-aware loss, concerning both local and global chain information, is also designed to enable the generated chains to serve as distant supervision signals for training the retriever, where reinforcement learning is also adopted to maximize the utility of the reasoning chains. Our framework allows the retriever to capture step-by-step clues of the entire reasoning process, which is not only shown to be effective on two challenging multi-hop Science QA tasks, namely OpenBookQA and ARC-Challenge, but also favors explainability.

Using the National Academies report, {\em Data Science for Undergraduates: Opportunities and Options}, we connect data science curricula to the more familiar pedagogy used by many mathematical scientists. We use their list of ``data acumen" components to ground a discussion, which hopes to connect data science curricula to the more familiar pedagogy used by many mathematical scientists.

The Jovian atmosphere contains a wide diversity of vortices, which have a large range of sizes, colors and forms in different dynamical regimes. The formation processes for these vortices is poorly understood, and aside from a few known, long-lived ovals, such as the Great Red Spot, and Oval BA, vortex stability and their temporal evolution are currently largely unknown. In this study, we use JunoCam data and a citizen-science project on Zooniverse to derive a catalog of vortices, some with repeated observations, through May 2018 to Sep 2021, and analyze their associated properties, such as size, location and color. We find that different colored vortices (binned as white, red, brown and dark), follow vastly different distributions in terms of their sizes and where they are found on the planet. We employ a simplified stability criterion using these vortices as a proxy, to derive a minimum Rossby deformation length for the planet of sim1800 km. We find that this value of L_d is largely constant throughout the atmosphere, and does not have an appreciable meridional gradient.

Science journalism reports current scientific discoveries to non-specialists, aiming to enable public comprehension of the state of the art. However, this task can be challenging as the audience often lacks specific knowledge about the presented research. To address this challenge, we propose a framework that integrates three LLMs mimicking the real-world writing-reading-feedback-revision workflow, with one LLM acting as the journalist, a smaller LLM as the general public reader, and the third LLM as an editor. The journalist's writing is iteratively refined by feedback from the reader and suggestions from the editor. Our experiments demonstrate that by leveraging the collaboration of two 7B and one 1.8B open-source LLMs, we can generate articles that are more accessible than those generated by existing methods, including advanced models such as GPT-4.

This paper presents the second ChatGPT4PCG competition at the 2024 IEEE Conference on Games. In this edition of the competition, we follow the first edition, but make several improvements and changes. We introduce a new evaluation metric along with allowing a more flexible format for participants' submissions and making several improvements to the evaluation pipeline. Continuing from the first edition, we aim to foster and explore the realm of prompt engineering (PE) for procedural content generation (PCG). While the first competition saw success, it was hindered by various limitations; we aim to mitigate these limitations in this edition. We introduce diversity as a new metric to discourage submissions aimed at producing repetitive structures. Furthermore, we allow submission of a Python program instead of a prompt text file for greater flexibility in implementing advanced PE approaches, which may require control flow, including conditions and iterations. We also make several improvements to the evaluation pipeline with a better classifier for similarity evaluation and better-performing function signatures. We thoroughly evaluate the effectiveness of the new metric and the improved classifier. Additionally, we perform an ablation study to select a function signature to instruct ChatGPT for level generation. Finally, we provide implementation examples of various PE techniques in Python and evaluate their preliminary performance. We hope this competition serves as a resource and platform for learning about PE and PCG in general.

This paper presents the first ChatGPT4PCG Competition at the 2023 IEEE Conference on Games. The objective of this competition is for participants to create effective prompts for ChatGPT--enabling it to generate Science Birds levels with high stability and character-like qualities--fully using their creativity as well as prompt engineering skills. ChatGPT is a conversational agent developed by OpenAI. Science Birds is selected as the competition platform because designing an Angry Birds-like level is not a trivial task due to the in-game gravity; the quality of the levels is determined by their stability. To lower the entry barrier to the competition, we limit the task to the generation of capitalized English alphabetical characters. We also allow only a single prompt to be used for generating all the characters. Here, the quality of the generated levels is determined by their stability and similarity to the given characters. A sample prompt is provided to participants for their reference. An experiment is conducted to determine the effectiveness of several modified versions of this sample prompt on level stability and similarity by testing them on several characters. To the best of our knowledge, we believe that ChatGPT4PCG is the first competition of its kind and hope to inspire enthusiasm for prompt engineering in procedural content generation.

We present a novel method for obtaining high-quality, domain-targeted multiple choice questions from crowd workers. Generating these questions can be difficult without trading away originality, relevance or diversity in the answer options. Our method addresses these problems by leveraging a large corpus of domain-specific text and a small set of existing questions. It produces model suggestions for document selection and answer distractor choice which aid the human question generation process. With this method we have assembled SciQ, a dataset of 13.7K multiple choice science exam questions (Dataset available at http://allenai.org/data.html). We demonstrate that the method produces in-domain questions by providing an analysis of this new dataset and by showing that humans cannot distinguish the crowdsourced questions from original questions. When using SciQ as additional training data to existing questions, we observe accuracy improvements on real science exams.