Daily Papers

We present a full implementation and simulation of a novel quantum reinforcement learning method. Our work is a detailed and formal proof of concept for how quantum algorithms can be used to solve reinforcement learning problems and shows that, given access to error-free, efficient quantum realizations of the agent and environment, quantum methods can yield provable improvements over classical Monte-Carlo based methods in terms of sample complexity. Our approach shows in detail how to combine amplitude estimation and Grover search into a policy evaluation and improvement scheme. We first develop quantum policy evaluation (QPE) which is quadratically more efficient compared to an analogous classical Monte Carlo estimation and is based on a quantum mechanical realization of a finite Markov decision process (MDP). Building on QPE, we derive a quantum policy iteration that repeatedly improves an initial policy using Grover search until the optimum is reached. Finally, we present an implementation of our algorithm for a two-armed bandit MDP which we then simulate.

Quantum computing offers efficient encapsulation of high-dimensional states. In this work, we propose a novel quantum reinforcement learning approach that combines the Advantage Actor-Critic algorithm with variational quantum circuits by substituting parts of the classical components. This approach addresses reinforcement learning's scalability concerns while maintaining high performance. We empirically test multiple quantum Advantage Actor-Critic configurations with the well known Cart Pole environment to evaluate our approach in control tasks with continuous state spaces. Our results indicate that the hybrid strategy of using either a quantum actor or quantum critic with classical post-processing yields a substantial performance increase compared to pure classical and pure quantum variants with similar parameter counts. They further reveal the limits of current quantum approaches due to the hardware constraints of noisy intermediate-scale quantum computers, suggesting further research to scale hybrid approaches for larger and more complex control tasks.

Deep Reinforcement Learning is emerging as a promising approach for the continuous control task of robotic arm movement. However, the challenges of learning robust and versatile control capabilities are still far from being resolved for real-world applications, mainly because of two common issues of this learning paradigm: the exploration strategy and the slow learning speed, sometimes known as "the curse of dimensionality". This work aims at exploring and assessing the advantages of the application of Quantum Computing to one of the state-of-art Reinforcement Learning techniques for continuous control - namely Soft Actor-Critic. Specifically, the performance of a Variational Quantum Soft Actor-Critic on the movement of a virtual robotic arm has been investigated by means of digital simulations of quantum circuits. A quantum advantage over the classical algorithm has been found in terms of a significant decrease in the amount of required parameters for satisfactory model training, paving the way for further promising developments.

The Sachdev-Ye-Kitaev (SYK) model, known for its strong quantum correlations and chaotic behavior, serves as a key platform for quantum gravity studies. However, variationally preparing thermal states on near-term quantum processors for large systems (N>12, where N is the number of Majorana fermions) presents a significant challenge due to the rapid growth in the complexity of parameterized quantum circuits. This paper addresses this challenge by integrating reinforcement learning (RL) with convolutional neural networks, employing an iterative approach to optimize the quantum circuit and its parameters. The refinement process is guided by a composite reward signal derived from entropy and the expectation values of the SYK Hamiltonian. This approach reduces the number of CNOT gates by two orders of magnitude for systems Ngeq12 compared to traditional methods like first-order Trotterization. We demonstrate the effectiveness of the RL framework in both noiseless and noisy quantum hardware environments, maintaining high accuracy in thermal state preparation. This work advances a scalable, RL-based framework with applications for quantum gravity studies and out-of-time-ordered thermal correlators computation in quantum many-body systems on near-term quantum hardware. The code is available at https://github.com/Aqasch/solving_SYK_model_with_RL.

Quantum machine learning implemented by variational quantum circuits (VQCs) is considered a promising concept for the noisy intermediate-scale quantum computing era. Focusing on applications in quantum reinforcement learning, we propose a specific action decoding procedure for a quantum policy gradient approach. We introduce a novel quality measure that enables us to optimize the classical post-processing required for action selection, inspired by local and global quantum measurements. The resulting algorithm demonstrates a significant performance improvement in several benchmark environments. With this technique, we successfully execute a full training routine on a 5-qubit hardware device. Our method introduces only negligible classical overhead and has the potential to improve VQC-based algorithms beyond the field of quantum reinforcement learning.

The emergence of quantum reinforcement learning (QRL) is propelled by advancements in quantum computing (QC) and machine learning (ML), particularly through quantum neural networks (QNN) built on variational quantum circuits (VQC). These advancements have proven successful in addressing sequential decision-making tasks. However, constructing effective QRL models demands significant expertise due to challenges in designing quantum circuit architectures, including data encoding and parameterized circuits, which profoundly influence model performance. In this paper, we propose addressing this challenge with differentiable quantum architecture search (DiffQAS), enabling trainable circuit parameters and structure weights using gradient-based optimization. Furthermore, we enhance training efficiency through asynchronous reinforcement learning (RL) methods facilitating parallel training. Through numerical simulations, we demonstrate that our proposed DiffQAS-QRL approach achieves performance comparable to manually-crafted circuit architectures across considered environments, showcasing stability across diverse scenarios. This methodology offers a pathway for designing QRL models without extensive quantum knowledge, ensuring robust performance and fostering broader application of QRL.

In this paper, we propose feedback designs for manipulating a quantum state to a target state by performing sequential measurements. In light of Belavkin's quantum feedback control theory, for a given set of (projective or non-projective) measurements and a given time horizon, we show that finding the measurement selection policy that maximizes the probability of successful state manipulation is an optimal control problem for a controlled Markovian process. The optimal policy is Markovian and can be solved by dynamical programming. Numerical examples indicate that making use of feedback information significantly improves the success probability compared to classical scheme without taking feedback. We also consider other objective functionals including maximizing the expected fidelity to the target state as well as minimizing the expected arrival time. The connections and differences among these objectives are also discussed.

Quantum computing has promised significant improvement in solving difficult computational tasks over classical computers. Designing quantum circuits for practical use, however, is not a trivial objective and requires expert-level knowledge. To aid this endeavor, this paper proposes a machine learning-based method to construct quantum circuit architectures. Previous works have demonstrated that classical deep reinforcement learning (DRL) algorithms can successfully construct quantum circuit architectures without encoded physics knowledge. However, these DRL-based works are not generalizable to settings with changing device noises, thus requiring considerable amounts of training resources to keep the RL models up-to-date. With this in mind, we incorporated continual learning to enhance the performance of our algorithm. In this paper, we present the Probabilistic Policy Reuse with deep Q-learning (PPR-DQL) framework to tackle this circuit design challenge. By conducting numerical simulations over various noise patterns, we demonstrate that the RL agent with PPR was able to find the quantum gate sequence to generate the two-qubit Bell state faster than the agent that was trained from scratch. The proposed framework is general and can be applied to other quantum gate synthesis or control problems -- including the automatic calibration of quantum devices.

We propose a quantum version of a generative diffusion model. In this algorithm, artificial neural networks are replaced with parameterized quantum circuits, in order to directly generate quantum states. We present both a full quantum and a latent quantum version of the algorithm; we also present a conditioned version of these models. The models' performances have been evaluated using quantitative metrics complemented by qualitative assessments. An implementation of a simplified version of the algorithm has been executed on real NISQ quantum hardware.

Designing quantum circuits for specific tasks is challenging due to the exponential growth of the state space. We introduce gadget reinforcement learning (GRL), which integrates reinforcement learning with program synthesis to automatically generate and incorporate composite gates (gadgets) into the action space. This enhances the exploration of parameterized quantum circuits (PQCs) for complex tasks like approximating ground states of quantum Hamiltonians, an NP-hard problem. We evaluate GRL using the transverse field Ising model under typical computational budgets (e.g., 2- 3 days of GPU runtime). Our results show improved accuracy, hardware compatibility and scalability. GRL exhibits robust performance as the size and complexity of the problem increases, even with constrained computational resources. By integrating gadget extraction, GRL facilitates the discovery of reusable circuit components tailored for specific hardware, bridging the gap between algorithmic design and practical implementation. This makes GRL a versatile framework for optimizing quantum circuits with applications in hardware-specific optimizations and variational quantum algorithms. The code is available at: https://github.com/Aqasch/Gadget_RL

Many important real-world problems have action spaces that are high-dimensional, continuous or both, making full enumeration of all possible actions infeasible. Instead, only small subsets of actions can be sampled for the purpose of policy evaluation and improvement. In this paper, we propose a general framework to reason in a principled way about policy evaluation and improvement over such sampled action subsets. This sample-based policy iteration framework can in principle be applied to any reinforcement learning algorithm based upon policy iteration. Concretely, we propose Sampled MuZero, an extension of the MuZero algorithm that is able to learn in domains with arbitrarily complex action spaces by planning over sampled actions. We demonstrate this approach on the classical board game of Go and on two continuous control benchmark domains: DeepMind Control Suite and Real-World RL Suite.

In recent years, machine learning models like DALL-E, Craiyon, and Stable Diffusion have gained significant attention for their ability to generate high-resolution images from concise descriptions. Concurrently, quantum computing is showing promising advances, especially with quantum machine learning which capitalizes on quantum mechanics to meet the increasing computational requirements of traditional machine learning algorithms. This paper explores the integration of quantum machine learning and variational quantum circuits to augment the efficacy of diffusion-based image generation models. Specifically, we address two challenges of classical diffusion models: their low sampling speed and the extensive parameter requirements. We introduce two quantum diffusion models and benchmark their capabilities against their classical counterparts using MNIST digits, Fashion MNIST, and CIFAR-10. Our models surpass the classical models with similar parameter counts in terms of performance metrics FID, SSIM, and PSNR. Moreover, we introduce a consistency model unitary single sampling architecture that combines the diffusion procedure into a single step, enabling a fast one-step image generation.

Off-policy reinforcement learning (RL) has proven to be a powerful framework for guiding agents' actions in environments with stochastic rewards and unknown or noisy state dynamics. In many real-world settings, these agents must operate in multiple environments, each with slightly different dynamics. For example, we may be interested in developing policies to guide medical treatment for patients with and without a given disease, or policies to navigate curriculum design for students with and without a learning disability. Here, we introduce nested policy fitted Q-iteration (NFQI), an RL framework that finds optimal policies in environments that exhibit such a structure. Our approach develops a nested Q-value function that takes advantage of the shared structure between two groups of observations from two separate environments while allowing their policies to be distinct from one another. We find that NFQI yields policies that rely on relevant features and perform at least as well as a policy that does not consider group structure. We demonstrate NFQI's performance using an OpenAI Gym environment and a clinical decision making RL task. Our results suggest that NFQI can develop policies that are better suited to many real-world clinical environments.

Classical reinforcement learning (RL) has generated excellent results in different regions; however, its sample inefficiency remains a critical issue. In this paper, we provide concrete numerical evidence that the sample efficiency (the speed of convergence) of quantum RL could be better than that of classical RL, and for achieving comparable learning performance, quantum RL could use much (at least one order of magnitude) fewer trainable parameters than classical RL. Specifically, we employ the popular benchmarking environments of RL in the OpenAI Gym, and show that our quantum RL agent converges faster than classical fully-connected neural networks (FCNs) in the tasks of CartPole and Acrobot under the same optimization process. We also successfully train the first quantum RL agent that can complete the task of LunarLander in the OpenAI Gym. Our quantum RL agent only requires a single-qubit-based variational quantum circuit without entangling gates, followed by a classical neural network (NN) to post-process the measurement output. Finally, we could accomplish the aforementioned tasks on the real IBM quantum machines. To the best of our knowledge, none of the earlier quantum RL agents could do that.

Quantum architecture Search (QAS) is a promising direction for optimization and automated design of quantum circuits towards quantum advantage. Recent techniques in QAS emphasize Multi-Layer Perceptron (MLP)-based deep Q-networks. However, their interpretability remains challenging due to the large number of learnable parameters and the complexities involved in selecting appropriate activation functions. In this work, to overcome these challenges, we utilize the Kolmogorov-Arnold Network (KAN) in the QAS algorithm, analyzing their efficiency in the task of quantum state preparation and quantum chemistry. In quantum state preparation, our results show that in a noiseless scenario, the probability of success is 2 to 5 times higher than MLPs. In noisy environments, KAN outperforms MLPs in fidelity when approximating these states, showcasing its robustness against noise. In tackling quantum chemistry problems, we enhance the recently proposed QAS algorithm by integrating curriculum reinforcement learning with a KAN structure. This facilitates a more efficient design of parameterized quantum circuits by reducing the number of required 2-qubit gates and circuit depth. Further investigation reveals that KAN requires a significantly smaller number of learnable parameters compared to MLPs; however, the average time of executing each episode for KAN is higher.

The realization of scalable fault-tolerant quantum computing is expected to hinge on quantum error-correcting codes. In the quest for more efficient quantum fault tolerance, a critical code parameter is the weight of measurements that extract information about errors to enable error correction: as higher measurement weights require higher implementation costs and introduce more errors, it is important in code design to optimize measurement weight. This underlies the surging interest in quantum low-density parity-check (qLDPC) codes, the study of which has primarily focused on the asymptotic (large-code-limit) properties. In this work, we introduce a versatile and computationally efficient approach to stabilizer code weight reduction based on reinforcement learning (RL), which produces new low-weight codes that substantially outperform the state of the art in practically relevant parameter regimes, extending significantly beyond previously accessible small distances. For example, our approach demonstrates savings in physical qubit overhead compared to existing results by 1 to 2 orders of magnitude for weight 6 codes and brings the overhead into a feasible range for near-future experiments. We also investigate the interplay between code parameters using our RL framework, offering new insights into the potential efficiency and power of practically viable coding strategies. Overall, our results demonstrate how RL can effectively advance the crucial yet challenging problem of quantum code discovery and thereby facilitate a faster path to the practical implementation of fault-tolerant quantum technologies.

Quantum Computing has been evolving in the last years. Although nowadays quantum algorithms performance has shown superior to their classical counterparts, quantum decoherence and additional auxiliary qubits needed for error tolerance routines have been huge barriers for quantum algorithms efficient use. These restrictions lead us to search for ways to minimize algorithms costs, i.e the number of quantum logical gates and the depth of the circuit. For this, quantum circuit synthesis and quantum circuit optimization techniques are explored. We studied the viability of using Projective Simulation, a reinforcement learning technique, to tackle the problem of quantum circuit synthesis for noise quantum computers with limited number of qubits. The agent had the task of creating quantum circuits up to 5 qubits to generate GHZ states in the IBM Tenerife (IBM QX4) quantum processor. Our simulations demonstrated that the agent had a good performance but its capacity for learning new circuits decreased as the number of qubits increased.

Optimal Transport (OT) has fueled machine learning (ML) across many domains. When paired data measurements (mu, nu) are coupled to covariates, a challenging conditional distribution learning setting arises. Existing approaches for learning a global transport map parameterized through a potentially unseen context utilize Neural OT and largely rely on Brenier's theorem. Here, we propose a first-of-its-kind quantum computing formulation for amortized optimization of contextualized transportation plans. We exploit a direct link between doubly stochastic matrices and unitary operators thus unravelling a natural connection between OT and quantum computation. We verify our method (QontOT) on synthetic and real data by predicting variations in cell type distributions conditioned on drug dosage. Importantly we conduct a 24-qubit hardware experiment on a task challenging for classical computers and report a performance that cannot be matched with our classical neural OT approach. In sum, this is a first step toward learning to predict contextualized transportation plans through quantum computing.

We introduce a robust, error-tolerant adaptive training algorithm for generalized learning paradigms in high-dimensional superposed quantum networks, or adaptive quantum networks. The formalized procedure applies standard backpropagation training across a coherent ensemble of discrete topological configurations of individual neural networks, each of which is formally merged into appropriate linear superposition within a predefined, decoherence-free subspace. Quantum parallelism facilitates simultaneous training and revision of the system within this coherent state space, resulting in accelerated convergence to a stable network attractor under consequent iteration of the implemented backpropagation algorithm. Parallel evolution of linear superposed networks incorporating backpropagation training provides quantitative, numerical indications for optimization of both single-neuron activation functions and optimal reconfiguration of whole-network quantum structure.

In this paper, we present efficient quantum algorithms that are exponentially faster than classical algorithms for solving the quantum optimal control problem. This problem involves finding the control variable that maximizes a physical quantity at time T, where the system is governed by a time-dependent Schr\"odinger equation. This type of control problem also has an intricate relation with machine learning. Our algorithms are based on a time-dependent Hamiltonian simulation method and a fast gradient-estimation algorithm. We also provide a comprehensive error analysis to quantify the total error from various steps, such as the finite-dimensional representation of the control function, the discretization of the Schr\"odinger equation, the numerical quadrature, and optimization. Our quantum algorithms require fault-tolerant quantum computers.

A quantum neural network (QNN) is a parameterized mapping efficiently implementable on near-term Noisy Intermediate-Scale Quantum (NISQ) computers. It can be used for supervised learning when combined with classical gradient-based optimizers. Despite the existing empirical and theoretical investigations, the convergence of QNN training is not fully understood. Inspired by the success of the neural tangent kernels (NTKs) in probing into the dynamics of classical neural networks, a recent line of works proposes to study over-parameterized QNNs by examining a quantum version of tangent kernels. In this work, we study the dynamics of QNNs and show that contrary to popular belief it is qualitatively different from that of any kernel regression: due to the unitarity of quantum operations, there is a non-negligible deviation from the tangent kernel regression derived at the random initialization. As a result of the deviation, we prove the at-most sublinear convergence for QNNs with Pauli measurements, which is beyond the explanatory power of any kernel regression dynamics. We then present the actual dynamics of QNNs in the limit of over-parameterization. The new dynamics capture the change of convergence rate during training and implies that the range of measurements is crucial to the fast QNN convergence.

Quantum algorithms based on variational approaches are one of the most promising methods to construct quantum solutions and have found a myriad of applications in the last few years. Despite the adaptability and simplicity, their scalability and the selection of suitable ans\"atzs remain key challenges. In this work, we report an algorithmic framework based on nested Monte-Carlo Tree Search (MCTS) coupled with the combinatorial multi-armed bandit (CMAB) model for the automated design of quantum circuits. Through numerical experiments, we demonstrated our algorithm applied to various kinds of problems, including the ground energy problem in quantum chemistry, quantum optimisation on a graph, solving systems of linear equations, and finding encoding circuit for quantum error detection codes. Compared to the existing approaches, the results indicate that our circuit design algorithm can explore larger search spaces and optimise quantum circuits for larger systems, showing both versatility and scalability.

Quantum Machine Learning (QML) has surfaced as a pioneering framework addressing sequential control tasks and time-series modeling. It has demonstrated empirical quantum advantages notably within domains such as Reinforcement Learning (RL) and time-series prediction. A significant advancement lies in Quantum Recurrent Neural Networks (QRNNs), specifically tailored for memory-intensive tasks encompassing partially observable environments and non-linear time-series prediction. Nevertheless, QRNN-based models encounter challenges, notably prolonged training duration stemming from the necessity to compute quantum gradients using backpropagation-through-time (BPTT). This predicament exacerbates when executing the complete model on quantum devices, primarily due to the substantial demand for circuit evaluation arising from the parameter-shift rule. This paper introduces the Quantum Fast Weight Programmers (QFWP) as a solution to the temporal or sequential learning challenge. The QFWP leverages a classical neural network (referred to as the 'slow programmer') functioning as a quantum programmer to swiftly modify the parameters of a variational quantum circuit (termed the 'fast programmer'). Instead of completely overwriting the fast programmer at each time-step, the slow programmer generates parameter changes or updates for the quantum circuit parameters. This approach enables the fast programmer to incorporate past observations or information. Notably, the proposed QFWP model achieves learning of temporal dependencies without necessitating the use of quantum recurrent neural networks. Numerical simulations conducted in this study showcase the efficacy of the proposed QFWP model in both time-series prediction and RL tasks. The model exhibits performance levels either comparable to or surpassing those achieved by QLSTM-based models.

Recently, the impressive empirical success of policy gradient (PG) methods has catalyzed the development of their theoretical foundations. Despite the huge efforts directed at the design of efficient stochastic PG-type algorithms, the understanding of their convergence to a globally optimal policy is still limited. In this work, we develop improved global convergence guarantees for a general class of Fisher-non-degenerate parameterized policies which allows to address the case of continuous state action spaces. First, we propose a Normalized Policy Gradient method with Implicit Gradient Transport (N-PG-IGT) and derive a mathcal{O}(varepsilon^{-2.5}) sample complexity of this method for finding a global varepsilon-optimal policy. Improving over the previously known mathcal{O}(varepsilon^{-3}) complexity, this algorithm does not require the use of importance sampling or second-order information and samples only one trajectory per iteration. Second, we further improve this complexity to mathcal{mathcal{O} }(varepsilon^{-2}) by considering a Hessian-Aided Recursive Policy Gradient ((N)-HARPG) algorithm enhanced with a correction based on a Hessian-vector product. Interestingly, both algorithms are (i) simple and easy to implement: single-loop, do not require large batches of trajectories and sample at most two trajectories per iteration; (ii) computationally and memory efficient: they do not require expensive subroutines at each iteration and can be implemented with memory linear in the dimension of parameters.

The Rubiks Cube, with its vast state space and sparse reward structure, presents a significant challenge for reinforcement learning (RL) due to the difficulty of reaching rewarded states. Previous research addressed this by propagating cost-to-go estimates from the solved state and incorporating search techniques. These approaches differ from human strategies that start from fully scrambled cubes, which can be tricky for solving a general sparse-reward problem. In this paper, we introduce a novel RL algorithm using policy gradient methods to solve the Rubiks Cube without relying on near solved-state sampling. Our approach employs a neural network to predict cost patterns between states, allowing the agent to learn directly from scrambled states. Our method was tested on the 2x2x2 Rubiks Cube, where the cube was scrambled 50,000 times, and the model successfully solved it in over 99.4% of cases. Notably, this result was achieved using only the policy network without relying on tree search as in previous methods, demonstrating its effectiveness and potential for broader applications in sparse-reward problems.

Quantum computing holds great potential for advancing the limitations of machine learning algorithms to handle higher dimensions of data and reduce overall training parameters in deep learning (DL) models. This study uses a trainable variational quantum circuit (VQC) on a gate-based quantum computing model to investigate the potential for quantum benefit in a model-free reinforcement learning problem. Through a comprehensive investigation and evaluation of the current model and capabilities of quantum computers, we designed and trained a novel hybrid quantum neural network based on the latest Qiskit and PyTorch framework. We compared its performance with a full-classical CNN with and without an incorporated VQC. Our research provides insights into the potential of deep quantum learning to solve a maze problem and, potentially, other reinforcement learning problems. We conclude that reinforcement learning problems can be practical with reasonable training epochs. Moreover, a comparative study of full-classical and hybrid quantum neural networks is discussed to understand these two approaches' performance, advantages, and disadvantages to deep-Q learning problems, especially on larger-scale maze problems larger than 4x4.

This paper introduces the Quantum Generative Diffusion Model (QGDM), a fully quantum-mechanical model for generating quantum state ensembles, inspired by Denoising Diffusion Probabilistic Models. QGDM features a diffusion process that introduces timestep-dependent noise into quantum states, paired with a denoising mechanism trained to reverse this contamination. This model efficiently evolves a completely mixed state into a target quantum state post-training. Our comparative analysis with Quantum Generative Adversarial Networks demonstrates QGDM's superiority, with fidelity metrics exceeding 0.99 in numerical simulations involving up to 4 qubits. Additionally, we present a Resource-Efficient version of QGDM (RE-QGDM), which minimizes the need for auxiliary qubits while maintaining impressive generative capabilities for tasks involving up to 8 qubits. These results showcase the proposed models' potential for tackling challenging quantum generation problems.

The key challenge in the noisy intermediate-scale quantum era is finding useful circuits compatible with current device limitations. Variational quantum algorithms (VQAs) offer a potential solution by fixing the circuit architecture and optimizing individual gate parameters in an external loop. However, parameter optimization can become intractable, and the overall performance of the algorithm depends heavily on the initially chosen circuit architecture. Several quantum architecture search (QAS) algorithms have been developed to design useful circuit architectures automatically. In the case of parameter optimization alone, noise effects have been observed to dramatically influence the performance of the optimizer and final outcomes, which is a key line of study. However, the effects of noise on the architecture search, which could be just as critical, are poorly understood. This work addresses this gap by introducing a curriculum-based reinforcement learning QAS (CRLQAS) algorithm designed to tackle challenges in realistic VQA deployment. The algorithm incorporates (i) a 3D architecture encoding and restrictions on environment dynamics to explore the search space of possible circuits efficiently, (ii) an episode halting scheme to steer the agent to find shorter circuits, and (iii) a novel variant of simultaneous perturbation stochastic approximation as an optimizer for faster convergence. To facilitate studies, we developed an optimized simulator for our algorithm, significantly improving computational efficiency in simulating noisy quantum circuits by employing the Pauli-transfer matrix formalism in the Pauli-Liouville basis. Numerical experiments focusing on quantum chemistry tasks demonstrate that CRLQAS outperforms existing QAS algorithms across several metrics in both noiseless and noisy environments.

Quantum kernels hold great promise for offering computational advantages over classical learners, with the effectiveness of these kernels closely tied to the design of the quantum feature map. However, the challenge of designing effective quantum feature maps for real-world datasets, particularly in the absence of sufficient prior information, remains a significant obstacle. In this study, we present a data-driven approach that automates the design of problem-specific quantum feature maps. Our approach leverages feature-selection techniques to handle high-dimensional data on near-term quantum machines with limited qubits, and incorporates a deep neural predictor to efficiently evaluate the performance of various candidate quantum kernels. Through extensive numerical simulations on different datasets, we demonstrate the superiority of our proposal over prior methods, especially for the capability of eliminating the kernel concentration issue and identifying the feature map with prediction advantages. Our work not only unlocks the potential of quantum kernels for enhancing real-world tasks but also highlights the substantial role of deep learning in advancing quantum machine learning.

The theory of open quantum systems lays the foundations for a substantial part of modern research in quantum science and engineering. Rooted in the dimensionality of their extended Hilbert spaces, the high computational complexity of simulating open quantum systems calls for the development of strategies to approximate their dynamics. In this paper, we present an approach for tackling open quantum system dynamics. Using an exact probabilistic formulation of quantum physics based on positive operator-valued measure (POVM), we compactly represent quantum states with autoregressive transformer neural networks; such networks bring significant algorithmic flexibility due to efficient exact sampling and tractable density. We further introduce the concept of String States to partially restore the symmetry of the autoregressive transformer neural network and improve the description of local correlations. Efficient algorithms have been developed to simulate the dynamics of the Liouvillian superoperator using a forward-backward trapezoid method and find the steady state via a variational formulation. Our approach is benchmarked on prototypical one and two-dimensional systems, finding results which closely track the exact solution and achieve higher accuracy than alternative approaches based on using Markov chain Monte Carlo to sample restricted Boltzmann machines. Our work provides general methods for understanding quantum dynamics in various contexts, as well as techniques for solving high-dimensional probabilistic differential equations in classical setups.

Quantum machine learning models have shown successful generalization performance even when trained with few data. In this work, through systematic randomization experiments, we show that traditional approaches to understanding generalization fail to explain the behavior of such quantum models. Our experiments reveal that state-of-the-art quantum neural networks accurately fit random states and random labeling of training data. This ability to memorize random data defies current notions of small generalization error, problematizing approaches that build on complexity measures such as the VC dimension, the Rademacher complexity, and all their uniform relatives. We complement our empirical results with a theoretical construction showing that quantum neural networks can fit arbitrary labels to quantum states, hinting at their memorization ability. Our results do not preclude the possibility of good generalization with few training data but rather rule out any possible guarantees based only on the properties of the model family. These findings expose a fundamental challenge in the conventional understanding of generalization in quantum machine learning and highlight the need for a paradigm shift in the design of quantum models for machine learning tasks.

Many policy optimization approaches in reinforcement learning incorporate a Kullback-Leilbler (KL) divergence to the previous policy, to prevent the policy from changing too quickly. This idea was initially proposed in a seminal paper on Conservative Policy Iteration, with approximations given by algorithms like TRPO and Munchausen Value Iteration (MVI). We continue this line of work by investigating a generalized KL divergence -- called the Tsallis KL divergence -- which use the q-logarithm in the definition. The approach is a strict generalization, as q = 1 corresponds to the standard KL divergence; q > 1 provides a range of new options. We characterize the types of policies learned under the Tsallis KL, and motivate when q >1 could be beneficial. To obtain a practical algorithm that incorporates Tsallis KL regularization, we extend MVI, which is one of the simplest approaches to incorporate KL regularization. We show that this generalized MVI(q) obtains significant improvements over the standard MVI(q = 1) across 35 Atari games.

Recent developments in quantum computing and machine learning have propelled the interdisciplinary study of quantum machine learning. Sequential modeling is an important task with high scientific and commercial value. Existing VQC or QNN-based methods require significant computational resources to perform the gradient-based optimization of a larger number of quantum circuit parameters. The major drawback is that such quantum gradient calculation requires a large amount of circuit evaluation, posing challenges in current near-term quantum hardware and simulation software. In this work, we approach sequential modeling by applying a reservoir computing (RC) framework to quantum recurrent neural networks (QRNN-RC) that are based on classical RNN, LSTM and GRU. The main idea to this RC approach is that the QRNN with randomly initialized weights is treated as a dynamical system and only the final classical linear layer is trained. Our numerical simulations show that the QRNN-RC can reach results comparable to fully trained QRNN models for several function approximation and time series prediction tasks. Since the QRNN training complexity is significantly reduced, the proposed model trains notably faster. In this work we also compare to corresponding classical RNN-based RC implementations and show that the quantum version learns faster by requiring fewer training epochs in most cases. Our results demonstrate a new possibility to utilize quantum neural network for sequential modeling with greater quantum hardware efficiency, an important design consideration for noisy intermediate-scale quantum (NISQ) computers.

When applying quantum computing to machine learning tasks, one of the first considerations is the design of the quantum machine learning model itself. Conventionally, the design of quantum machine learning algorithms relies on the ``quantisation" of classical learning algorithms, such as using quantum linear algebra to implement important subroutines of classical algorithms, if not the entire algorithm, seeking to achieve quantum advantage through possible run-time accelerations brought by quantum computing. However, recent research has started questioning whether quantum advantage via speedup is the right goal for quantum machine learning [1]. Research also has been undertaken to exploit properties that are unique to quantum systems, such as quantum contextuality, to better design quantum machine learning models [2]. In this paper, we take an alternative approach by incorporating the heuristics and empirical evidences from the design of classical deep learning algorithms to the design of quantum neural networks. We first construct a model based on the data reuploading circuit [3] with the quantum Hamiltonian data embedding unitary [4]. Through numerical experiments on images datasets, including the famous MNIST and FashionMNIST datasets, we demonstrate that our model outperforms the quantum convolutional neural network (QCNN)[5] by a large margin (up to over 40% on MNIST test set). Based on the model design process and numerical results, we then laid out six principles for designing quantum machine learning models, especially quantum neural networks.

In recent years, various powerful policy gradient algorithms have been proposed in deep reinforcement learning. While all these algorithms build on the Policy Gradient Theorem, the specific design choices differ significantly across algorithms. We provide a holistic overview of on-policy policy gradient algorithms to facilitate the understanding of both their theoretical foundations and their practical implementations. In this overview, we include a detailed proof of the continuous version of the Policy Gradient Theorem, convergence results and a comprehensive discussion of practical algorithms. We compare the most prominent algorithms on continuous control environments and provide insights on the benefits of regularization. All code is available at https://github.com/Matt00n/PolicyGradientsJax.

Quantum computing has recently emerged as a transformative technology. Yet, its promised advantages rely on efficiently translating quantum operations into viable physical realizations. In this work, we use generative machine learning models, specifically denoising diffusion models (DMs), to facilitate this transformation. Leveraging text-conditioning, we steer the model to produce desired quantum operations within gate-based quantum circuits. Notably, DMs allow to sidestep during training the exponential overhead inherent in the classical simulation of quantum dynamics -- a consistent bottleneck in preceding ML techniques. We demonstrate the model's capabilities across two tasks: entanglement generation and unitary compilation. The model excels at generating new circuits and supports typical DM extensions such as masking and editing to, for instance, align the circuit generation to the constraints of the targeted quantum device. Given their flexibility and generalization abilities, we envision DMs as pivotal in quantum circuit synthesis, enhancing both practical applications but also insights into theoretical quantum computation.

We present and experimentally realize a quantum algorithm for efficiently solving the following problem: given an Ntimes N matrix M, an N-dimensional vector emph{b}, and an initial vector emph{x}(0), obtain a target vector emph{x}(t) as a function of time t according to the constraint demph{x}(t)/dt=Memph{x}(t)+emph{b}. We show that our algorithm exhibits an exponential speedup over its classical counterpart in certain circumstances. In addition, we demonstrate our quantum algorithm for a 4times4 linear differential equation using a 4-qubit nuclear magnetic resonance quantum information processor. Our algorithm provides a key technique for solving many important problems which rely on the solutions to linear differential equations.

Implementing quantum game theory on real hardware is challenging due to noise, decoherence, and limited qubit connectivity, yet such demonstrations are essential to validate theoretical predictions. We present one of the first full experimental realizations of the Battle of the Sexes game under the Eisert-Wilkens-Lewenstein (EWL) framework on IBM Quantum's ibm sherbrooke superconducting processor. Four quantum strategies (I, H, R(pi/4), R(pi)) were evaluated across 31 entanglement values gamma in [0, pi] using 2048 shots per configuration, enabling a direct comparison between analytical predictions and hardware execution. To mitigate noise and variability, we introduce a Guided Circuit Mapping (GCM) method that dynamically selects qubit pairs and optimizes routing based on real-time topology and calibration data. The analytical model forecasts up to 108% payoff improvement over the classical equilibrium, and despite hardware-induced deviations, experimental results with GCM preserve the expected payoff trends within 3.5%-12% relative error. These findings show that quantum advantages in strategic coordination can persist under realistic NISQ conditions, providing a pathway toward practical applications of quantum game theory in multi-agent, economic, and distributed decision-making systems.

In this work, we address the problem of automating quantum variational machine learning. We develop a multi-locality parallelizable search algorithm, called MUSE, to find the initial points and the sets of parameters that achieve the best performance for quantum variational circuit learning. Simulations with five real-world classification datasets indicate that on average, MUSE improves the detection accuracy of quantum variational classifiers 2.3 times with respect to the observed lowest scores. Moreover, when applied to two real-world regression datasets, MUSE improves the quality of the predictions from negative coefficients of determination to positive ones. Furthermore, the classification and regression scores of the quantum variational models trained with MUSE are on par with the classical counterparts.

Artificial Intelligence (AI), with its multiplier effect and wide applications in multiple areas, could potentially be an important application of quantum computing. Since modern AI systems are often built on neural networks, the design of quantum neural networks becomes a key challenge in integrating quantum computing into AI. To provide a more fine-grained characterisation of the impact of quantum components on the performance of neural networks, we propose a framework where classical neural network layers are gradually replaced by quantum layers that have the same type of input and output while keeping the flow of information between layers unchanged, different from most current research in quantum neural network, which favours an end-to-end quantum model. We start with a simple three-layer classical neural network without any normalisation layers or activation functions, and gradually change the classical layers to the corresponding quantum versions. We conduct numerical experiments on image classification datasets such as the MNIST, FashionMNIST and CIFAR-10 datasets to demonstrate the change of performance brought by the systematic introduction of quantum components. Through this framework, our research sheds new light on the design of future quantum neural network models where it could be more favourable to search for methods and frameworks that harness the advantages from both the classical and quantum worlds.

We describe an iterative procedure for optimizing policies, with guaranteed monotonic improvement. By making several approximations to the theoretically-justified procedure, we develop a practical algorithm, called Trust Region Policy Optimization (TRPO). This algorithm is similar to natural policy gradient methods and is effective for optimizing large nonlinear policies such as neural networks. Our experiments demonstrate its robust performance on a wide variety of tasks: learning simulated robotic swimming, hopping, and walking gaits; and playing Atari games using images of the screen as input. Despite its approximations that deviate from the theory, TRPO tends to give monotonic improvement, with little tuning of hyperparameters.

Despite the great empirical success of deep reinforcement learning, its theoretical foundation is less well understood. In this work, we make the first attempt to theoretically understand the deep Q-network (DQN) algorithm (Mnih et al., 2015) from both algorithmic and statistical perspectives. In specific, we focus on a slight simplification of DQN that fully captures its key features. Under mild assumptions, we establish the algorithmic and statistical rates of convergence for the action-value functions of the iterative policy sequence obtained by DQN. In particular, the statistical error characterizes the bias and variance that arise from approximating the action-value function using deep neural network, while the algorithmic error converges to zero at a geometric rate. As a byproduct, our analysis provides justifications for the techniques of experience replay and target network, which are crucial to the empirical success of DQN. Furthermore, as a simple extension of DQN, we propose the Minimax-DQN algorithm for zero-sum Markov game with two players. Borrowing the analysis of DQN, we also quantify the difference between the policies obtained by Minimax-DQN and the Nash equilibrium of the Markov game in terms of both the algorithmic and statistical rates of convergence.

We present an end-to-end reconfigurable algorithmic pipeline for solving a famous problem in knot theory using a noisy digital quantum computer, namely computing the value of the Jones polynomial at the fifth root of unity within additive error for any input link, i.e. a closed braid. This problem is DQC1-complete for Markov-closed braids and BQP-complete for Plat-closed braids, and we accommodate both versions of the problem. Even though it is widely believed that DQC1 is strictly contained in BQP, and so is 'less quantum', the resource requirements of classical algorithms for the DQC1 version are at least as high as for the BQP version, and so we potentially gain 'more advantage' by focusing on Markov-closed braids in our exposition. We demonstrate our quantum algorithm on Quantinuum's H2-2 quantum computer and show the effect of problem-tailored error-mitigation techniques. Further, leveraging that the Jones polynomial is a link invariant, we construct an efficiently verifiable benchmark to characterise the effect of noise present in a given quantum processor. In parallel, we implement and benchmark the state-of-the-art tensor-network-based classical algorithms for computing the Jones polynomial. The practical tools provided in this work allow for precise resource estimation to identify near-term quantum advantage for a meaningful quantum-native problem in knot theory.

We study multi-agent reinforcement learning in the setting of episodic Markov decision processes, where multiple agents cooperate via communication through a central server. We propose a provably efficient algorithm based on value iteration that enable asynchronous communication while ensuring the advantage of cooperation with low communication overhead. With linear function approximation, we prove that our algorithm enjoys an mathcal{O}(d^{3/2}H^2K) regret with mathcal{O}(dHM^2) communication complexity, where d is the feature dimension, H is the horizon length, M is the total number of agents, and K is the total number of episodes. We also provide a lower bound showing that a minimal Omega(dM) communication complexity is required to improve the performance through collaboration.

The vast majority of Reinforcement Learning methods is largely impacted by the computation effort and data requirements needed to obtain effective estimates of action-value functions, which in turn determine the quality of the overall performance and the sample-efficiency of the learning procedure. Typically, action-value functions are estimated through an iterative scheme that alternates the application of an empirical approximation of the Bellman operator and a subsequent projection step onto a considered function space. It has been observed that this scheme can be potentially generalized to carry out multiple iterations of the Bellman operator at once, benefiting the underlying learning algorithm. However, till now, it has been challenging to effectively implement this idea, especially in high-dimensional problems. In this paper, we introduce iterated Q-Network (i-QN), a novel principled approach that enables multiple consecutive Bellman updates by learning a tailored sequence of action-value functions where each serves as the target for the next. We show that i-QN is theoretically grounded and that it can be seamlessly used in value-based and actor-critic methods. We empirically demonstrate the advantages of i-QN in Atari 2600 games and MuJoCo continuous control problems.

A common pipeline in learning-based control is to iteratively estimate a model of system dynamics, and apply a trajectory optimization algorithm - e.g.~iLQR - on the learned model to minimize a target cost. This paper conducts a rigorous analysis of a simplified variant of this strategy for general nonlinear systems. We analyze an algorithm which iterates between estimating local linear models of nonlinear system dynamics and performing iLQR-like policy updates. We demonstrate that this algorithm attains sample complexity polynomial in relevant problem parameters, and, by synthesizing locally stabilizing gains, overcomes exponential dependence in problem horizon. Experimental results validate the performance of our algorithm, and compare to natural deep-learning baselines.

We adapt the ideas underlying the success of Deep Q-Learning to the continuous action domain. We present an actor-critic, model-free algorithm based on the deterministic policy gradient that can operate over continuous action spaces. Using the same learning algorithm, network architecture and hyper-parameters, our algorithm robustly solves more than 20 simulated physics tasks, including classic problems such as cartpole swing-up, dexterous manipulation, legged locomotion and car driving. Our algorithm is able to find policies whose performance is competitive with those found by a planning algorithm with full access to the dynamics of the domain and its derivatives. We further demonstrate that for many of the tasks the algorithm can learn policies end-to-end: directly from raw pixel inputs.

Image classification, a pivotal task in multiple industries, faces computational challenges due to the burgeoning volume of visual data. This research addresses these challenges by introducing two quantum machine learning models that leverage the principles of quantum mechanics for effective computations. Our first model, a hybrid quantum neural network with parallel quantum circuits, enables the execution of computations even in the noisy intermediate-scale quantum era, where circuits with a large number of qubits are currently infeasible. This model demonstrated a record-breaking classification accuracy of 99.21% on the full MNIST dataset, surpassing the performance of known quantum-classical models, while having eight times fewer parameters than its classical counterpart. Also, the results of testing this hybrid model on a Medical MNIST (classification accuracy over 99%), and on CIFAR-10 (classification accuracy over 82%), can serve as evidence of the generalizability of the model and highlights the efficiency of quantum layers in distinguishing common features of input data. Our second model introduces a hybrid quantum neural network with a Quanvolutional layer, reducing image resolution via a convolution process. The model matches the performance of its classical counterpart, having four times fewer trainable parameters, and outperforms a classical model with equal weight parameters. These models represent advancements in quantum machine learning research and illuminate the path towards more accurate image classification systems.

Diffusion Policies have demonstrated impressive performance in robotic manipulation tasks. However, their long inference time, resulting from an extensive iterative denoising process, and the need to execute an action chunk before the next prediction to maintain consistent actions limit their applicability to latency-critical tasks or simple tasks with a short cycle time. While recent methods explored distillation or alternative policy structures to accelerate inference, these often demand additional training, which can be resource-intensive for large robotic models. In this paper, we introduce a novel approach inspired by the Real-Time Iteration (RTI) Scheme, a method from optimal control that accelerates optimization by leveraging solutions from previous time steps as initial guesses for subsequent iterations. We explore the application of this scheme in diffusion inference and propose a scaling-based method to effectively handle discrete actions, such as grasping, in robotic manipulation. The proposed scheme significantly reduces runtime computational costs without the need for distillation or policy redesign. This enables a seamless integration into many pre-trained diffusion-based models, in particular, to resource-demanding large models. We also provide theoretical conditions for the contractivity which could be useful for estimating the initial denoising step. Quantitative results from extensive simulation experiments show a substantial reduction in inference time, with comparable overall performance compared with Diffusion Policy using full-step denoising. Our project page with additional resources is available at: https://rti-dp.github.io/.

In Reinforcement Learning (RL), regularization has emerged as a popular tool both in theory and practice, typically based either on an entropy bonus or a Kullback-Leibler divergence that constrains successive policies. In practice, these approaches have been shown to improve exploration, robustness and stability, giving rise to popular Deep RL algorithms such as SAC and TRPO. Policy Mirror Descent (PMD) is a theoretical framework that solves this general regularized policy optimization problem, however the closed-form solution involves the sum of all past Q-functions, which is intractable in practice. We propose and analyze PMD-like algorithms that only keep the last M Q-functions in memory, and show that for finite and large enough M, a convergent algorithm can be derived, introducing no error in the policy update, unlike prior deep RL PMD implementations. StaQ, the resulting algorithm, enjoys strong theoretical guarantees and is competitive with deep RL baselines, while exhibiting less performance oscillation, paving the way for fully stable deep RL algorithms and providing a testbed for experimentation with Policy Mirror Descent.

This work presents In-Context Policy Iteration, an algorithm for performing Reinforcement Learning (RL), in-context, using foundation models. While the application of foundation models to RL has received considerable attention, most approaches rely on either (1) the curation of expert demonstrations (either through manual design or task-specific pretraining) or (2) adaptation to the task of interest using gradient methods (either fine-tuning or training of adapter layers). Both of these techniques have drawbacks. Collecting demonstrations is labor-intensive, and algorithms that rely on them do not outperform the experts from which the demonstrations were derived. All gradient techniques are inherently slow, sacrificing the "few-shot" quality that made in-context learning attractive to begin with. In this work, we present an algorithm, ICPI, that learns to perform RL tasks without expert demonstrations or gradients. Instead we present a policy-iteration method in which the prompt content is the entire locus of learning. ICPI iteratively updates the contents of the prompt from which it derives its policy through trial-and-error interaction with an RL environment. In order to eliminate the role of in-weights learning (on which approaches like Decision Transformer rely heavily), we demonstrate our algorithm using Codex, a language model with no prior knowledge of the domains on which we evaluate it.

Interactive digital agents (IDAs) leverage APIs of stateful digital environments to perform tasks in response to user requests. While IDAs powered by instruction-tuned large language models (LLMs) can react to feedback from interface invocations in multi-step exchanges, they have not been trained in their respective digital environments. Prior methods accomplish less than half of tasks in sophisticated benchmarks such as AppWorld. We present a reinforcement learning (RL) approach that trains IDAs directly in their target environments. We formalize this training as a partially observable Markov decision process and derive LOOP, a data- and memory-efficient variant of proximal policy optimization. LOOP uses no value network and maintains exactly one copy of the underlying LLM in memory, making its implementation straightforward and as memory-efficient as fine-tuning a single LLM. A 32-billion-parameter agent trained with LOOP in the AppWorld environment outperforms the much larger OpenAI o1 agent by 9 percentage points (15% relative). To our knowledge, this is the first reported application of RL to IDAs that interact with a stateful, multi-domain, multi-app environment via direct API calls. Our analysis sheds light on the effectiveness of RL in this area, showing that the agent learns to consult the API documentation, avoid unwarranted assumptions, minimize confabulation, and recover from setbacks.

The distribution of high-quality Greenberger-Horne-Zeilinger (GHZ) states is at the heart of many quantum communication tasks, ranging from extending the baseline of telescopes to secret sharing. They also play an important role in error-correction architectures for distributed quantum computation, where Bell pairs can be leveraged to create an entangled network of quantum computers. We investigate the creation and distillation of GHZ states out of non-perfect Bell pairs over quantum networks. In particular, we introduce a heuristic dynamic programming algorithm to optimize over a large class of protocols that create and purify GHZ states. All protocols considered use a common framework based on measurements of non-local stabilizer operators of the target state (i.e., the GHZ state), where each non-local measurement consumes another (non-perfect) entangled state as a resource. The new protocols outperform previous proposals for scenarios without decoherence and local gate noise. Furthermore, the algorithms can be applied for finding protocols for any number of parties and any number of entangled pairs involved.

Quantum algorithms offer significant speedups over their classical counterparts for a variety of problems. The strongest arguments for this advantage are borne by algorithms for quantum search, quantum phase estimation, and Hamiltonian simulation, which appear as subroutines for large families of composite quantum algorithms. A number of these quantum algorithms were recently tied together by a novel technique known as the quantum singular value transformation (QSVT), which enables one to perform a polynomial transformation of the singular values of a linear operator embedded in a unitary matrix. In the seminal GSLW'19 paper on QSVT [Gily\'en, Su, Low, and Wiebe, ACM STOC 2019], many algorithms are encompassed, including amplitude amplification, methods for the quantum linear systems problem, and quantum simulation. Here, we provide a pedagogical tutorial through these developments, first illustrating how quantum signal processing may be generalized to the quantum eigenvalue transform, from which QSVT naturally emerges. Paralleling GSLW'19, we then employ QSVT to construct intuitive quantum algorithms for search, phase estimation, and Hamiltonian simulation, and also showcase algorithms for the eigenvalue threshold problem and matrix inversion. This overview illustrates how QSVT is a single framework comprising the three major quantum algorithms, thus suggesting a grand unification of quantum algorithms.

Artificial neural networks are the heart of machine learning algorithms and artificial intelligence protocols. Historically, the simplest implementation of an artificial neuron traces back to the classical Rosenblatt's `perceptron', but its long term practical applications may be hindered by the fast scaling up of computational complexity, especially relevant for the training of multilayered perceptron networks. Here we introduce a quantum information-based algorithm implementing the quantum computer version of a perceptron, which shows exponential advantage in encoding resources over alternative realizations. We experimentally test a few qubits version of this model on an actual small-scale quantum processor, which gives remarkably good answers against the expected results. We show that this quantum model of a perceptron can be used as an elementary nonlinear classifier of simple patterns, as a first step towards practical training of artificial quantum neural networks to be efficiently implemented on near-term quantum processing hardware.

Efficient quantum compiling tactics greatly enhance the capability of quantum computers to execute complicated quantum algorithms. Due to its fundamental importance, a plethora of quantum compilers has been designed in past years. However, there are several caveats to current protocols, which are low optimality, high inference time, limited scalability, and lack of universality. To compensate for these defects, here we devise an efficient and practical quantum compiler assisted by advanced deep reinforcement learning (RL) techniques, i.e., data generation, deep Q-learning, and AQ* search. In this way, our protocol is compatible with various quantum machines and can be used to compile multi-qubit operators. We systematically evaluate the performance of our proposal in compiling quantum operators with both inverse-closed and inverse-free universal basis sets. In the task of single-qubit operator compiling, our proposal outperforms other RL-based quantum compilers in the measure of compiling sequence length and inference time. Meanwhile, the output solution is near-optimal, guaranteed by the Solovay-Kitaev theorem. Notably, for the inverse-free universal basis set, the achieved sequence length complexity is comparable with the inverse-based setting and dramatically advances previous methods. These empirical results contribute to improving the inverse-free Solovay-Kitaev theorem. In addition, for the first time, we demonstrate how to leverage RL-based quantum compilers to accomplish two-qubit operator compiling. The achieved results open an avenue for integrating RL with quantum compiling to unify efficiency and practicality and thus facilitate the exploration of quantum advantages.

Topological data analysis (TDA) is a powerful technique for extracting complex and valuable shape-related summaries of high-dimensional data. However, the computational demands of classical algorithms for computing TDA are exorbitant, and quickly become impractical for high-order characteristics. Quantum computers offer the potential of achieving significant speedup for certain computational problems. Indeed, TDA has been purported to be one such problem, yet, quantum computing algorithms proposed for the problem, such as the original Quantum TDA (QTDA) formulation by Lloyd, Garnerone and Zanardi, require fault-tolerance qualifications that are currently unavailable. In this study, we present NISQ-TDA, a fully implemented end-to-end quantum machine learning algorithm needing only a short circuit-depth, that is applicable to high-dimensional classical data, and with provable asymptotic speedup for certain classes of problems. The algorithm neither suffers from the data-loading problem nor does it need to store the input data on the quantum computer explicitly. The algorithm was successfully executed on quantum computing devices, as well as on noisy quantum simulators, applied to small datasets. Preliminary empirical results suggest that the algorithm is robust to noise.

The privacy in classical federated learning can be breached through the use of local gradient results along with engineered queries to the clients. However, quantum communication channels are considered more secure because a measurement on the channel causes a loss of information, which can be detected by the sender. Therefore, the quantum version of federated learning can be used to provide more privacy. Additionally, sending an N dimensional data vector through a quantum channel requires sending log N entangled qubits, which can potentially provide exponential efficiency if the data vector is utilized as quantum states. In this paper, we propose a quantum federated learning model where fixed design quantum chips are operated based on the quantum states sent by a centralized server. Based on the coming superposition states, the clients compute and then send their local gradients as quantum states to the server, where they are aggregated to update parameters. Since the server does not send model parameters, but instead sends the operator as a quantum state, the clients are not required to share the model. This allows for the creation of asynchronous learning models. In addition, the model as a quantum state is fed into client-side chips directly; therefore, it does not require measurements on the upcoming quantum state to obtain model parameters in order to compute gradients. This can provide efficiency over the models where the parameter vector is sent via classical or quantum channels and local gradients are obtained through the obtained values of these parameters.

Geometric model fitting is a challenging but fundamental computer vision problem. Recently, quantum optimization has been shown to enhance robust fitting for the case of a single model, while leaving the question of multi-model fitting open. In response to this challenge, this paper shows that the latter case can significantly benefit from quantum hardware and proposes the first quantum approach to multi-model fitting (MMF). We formulate MMF as a problem that can be efficiently sampled by modern adiabatic quantum computers without the relaxation of the objective function. We also propose an iterative and decomposed version of our method, which supports real-world-sized problems. The experimental evaluation demonstrates promising results on a variety of datasets. The source code is available at: https://github.com/FarinaMatteo/qmmf.

Quantum computing promises to enhance machine learning and artificial intelligence. Different quantum algorithms have been proposed to improve a wide spectrum of machine learning tasks. Yet, recent theoretical works show that, similar to traditional classifiers based on deep classical neural networks, quantum classifiers would suffer from the vulnerability problem: adding tiny carefully-crafted perturbations to the legitimate original data samples would facilitate incorrect predictions at a notably high confidence level. This will pose serious problems for future quantum machine learning applications in safety and security-critical scenarios. Here, we report the first experimental demonstration of quantum adversarial learning with programmable superconducting qubits. We train quantum classifiers, which are built upon variational quantum circuits consisting of ten transmon qubits featuring average lifetimes of 150 mus, and average fidelities of simultaneous single- and two-qubit gates above 99.94% and 99.4% respectively, with both real-life images (e.g., medical magnetic resonance imaging scans) and quantum data. We demonstrate that these well-trained classifiers (with testing accuracy up to 99%) can be practically deceived by small adversarial perturbations, whereas an adversarial training process would significantly enhance their robustness to such perturbations. Our results reveal experimentally a crucial vulnerability aspect of quantum learning systems under adversarial scenarios and demonstrate an effective defense strategy against adversarial attacks, which provide a valuable guide for quantum artificial intelligence applications with both near-term and future quantum devices.

In a recent work, Laforgue et al. introduce the model of last switch dependent (LSD) bandits, in an attempt to capture nonstationary phenomena induced by the interaction between the player and the environment. Examples include satiation, where consecutive plays of the same action lead to decreased performance, or deprivation, where the payoff of an action increases after an interval of inactivity. In this work, we take a step towards understanding the approximability of planning LSD bandits, namely, the (NP-hard) problem of computing an optimal arm-pulling strategy under complete knowledge of the model. In particular, we design the first efficient constant approximation algorithm for the problem and show that, under a natural monotonicity assumption on the payoffs, its approximation guarantee (almost) matches the state-of-the-art for the special and well-studied class of recharging bandits (also known as delay-dependent). In this attempt, we develop new tools and insights for this class of problems, including a novel higher-dimensional relaxation and the technique of mirroring the evolution of virtual states. We believe that these novel elements could potentially be used for approaching richer classes of action-induced nonstationary bandits (e.g., special instances of restless bandits). In the case where the model parameters are initially unknown, we develop an online learning adaptation of our algorithm for which we provide sublinear regret guarantees against its full-information counterpart.

We propose a new method for optimistic planning in infinite-horizon discounted Markov decision processes based on the idea of adding regularization to the updates of an otherwise standard approximate value iteration procedure. This technique allows us to avoid contraction and monotonicity arguments typically required by existing analyses of approximate dynamic programming methods, and in particular to use approximate transition functions estimated via least-squares procedures in MDPs with linear function approximation. We use our method to recover known guarantees in tabular MDPs and to provide a computationally efficient algorithm for learning near-optimal policies in discounted linear mixture MDPs from a single stream of experience, and show it achieves near-optimal statistical guarantees.

Machine learning techniques are essential tools to compute efficient, yet accurate, force fields for atomistic simulations. This approach has recently been extended to incorporate quantum computational methods, making use of variational quantum learning models to predict potential energy surfaces and atomic forces from ab initio training data. However, the trainability and scalability of such models are still limited, due to both theoretical and practical barriers. Inspired by recent developments in geometric classical and quantum machine learning, here we design quantum neural networks that explicitly incorporate, as a data-inspired prior, an extensive set of physically relevant symmetries. We find that our invariant quantum learning models outperform their more generic counterparts on individual molecules of growing complexity. Furthermore, we study a water dimer as a minimal example of a system with multiple components, showcasing the versatility of our proposed approach and opening the way towards larger simulations. Our results suggest that molecular force fields generation can significantly profit from leveraging the framework of geometric quantum machine learning, and that chemical systems represent, in fact, an interesting and rich playground for the development and application of advanced quantum machine learning tools.

In recent years, there has been an emerging trend of combining two innovations in computer science and physics to achieve better computation capability. Exploring the potential of quantum computation to achieve highly efficient performance in various tasks is a vital development in engineering and a valuable question in sciences, as it has a significant potential to provide exponential speedups for technologically complex problems that are specifically advantageous to quantum computers. However, one key issue in unleashing this potential is constructing an efficient approach to load classical data into quantum states that can be executed by quantum computers or quantum simulators on classical hardware. Therefore, the split-step quantum walks (SSQW) algorithm was proposed to address this limitation. We facilitate SSQW to design parameterized quantum circuits (PQC) that can generate probability distributions and optimize the parameters to achieve the desired distribution using a variational solver. A practical example of implementing SSQW using Qiskit has been released as open-source software. Showing its potential as a promising method for generating desired probability amplitude distributions highlights the potential application of SSQW in option pricing through quantum simulation.

We consider the reinforcement learning (RL) problem with general utilities which consists in maximizing a function of the state-action occupancy measure. Beyond the standard cumulative reward RL setting, this problem includes as particular cases constrained RL, pure exploration and learning from demonstrations among others. For this problem, we propose a simpler single-loop parameter-free normalized policy gradient algorithm. Implementing a recursive momentum variance reduction mechanism, our algorithm achieves mathcal{O}(epsilon^{-3}) and mathcal{O}(epsilon^{-2}) sample complexities for epsilon-first-order stationarity and epsilon-global optimality respectively, under adequate assumptions. We further address the setting of large finite state action spaces via linear function approximation of the occupancy measure and show a mathcal{O}(epsilon^{-4}) sample complexity for a simple policy gradient method with a linear regression subroutine.

Mirror descent value iteration (MDVI), an abstraction of Kullback-Leibler (KL) and entropy-regularized reinforcement learning (RL), has served as the basis for recent high-performing practical RL algorithms. However, despite the use of function approximation in practice, the theoretical understanding of MDVI has been limited to tabular Markov decision processes (MDPs). We study MDVI with linear function approximation through its sample complexity required to identify an varepsilon-optimal policy with probability 1-delta under the settings of an infinite-horizon linear MDP, generative model, and G-optimal design. We demonstrate that least-squares regression weighted by the variance of an estimated optimal value function of the next state is crucial to achieving minimax optimality. Based on this observation, we present Variance-Weighted Least-Squares MDVI (VWLS-MDVI), the first theoretical algorithm that achieves nearly minimax optimal sample complexity for infinite-horizon linear MDPs. Furthermore, we propose a practical VWLS algorithm for value-based deep RL, Deep Variance Weighting (DVW). Our experiments demonstrate that DVW improves the performance of popular value-based deep RL algorithms on a set of MinAtar benchmarks.

In recent years, quantum computing has emerged as a promising technology for solving complex computational problems. Generative modeling is a technique that allows us to learn and generate new data samples similar to the original dataset. In this paper, we propose a generative modeling approach using quantum gates to generate new samples from a given dataset. We start with a brief introduction to quantum computing and generative modeling. Then, we describe our proposed approach, which involves encoding the dataset into quantum states and using quantum gates to manipulate these states to generate new samples. We also provide mathematical details of our approach and demonstrate its effectiveness through experimental results on various datasets.

This paper focuses on the construction of a general parametric model that can be implemented executing multiple swap tests over few qubits and applying a suitable measurement protocol. The model turns out to be equivalent to a two-layer feedforward neural network which can be realized combining small quantum modules. The advantages and the perspectives of the proposed quantum method are discussed.

Quantum algorithms are usually described as monolithic circuits, becoming large at modest input size. Near-term quantum architectures can only manage a small number of qubits. We develop an automated method to distribute quantum circuits over multiple agents, minimising quantum communication between them. We reduce the problem to hypergraph partitioning and then solve it with state-of-the-art optimisers. This makes our approach useful in practice, unlike previous methods. Our implementation is evaluated on five quantum circuits of practical relevance.

This work endeavors to juxtapose the efficacy of machine learning algorithms within classical and quantum computational paradigms. Particularly, by emphasizing on Support Vector Machines (SVM), we scrutinize the classification prowess of classical SVM and Quantum Support Vector Machines (QSVM) operational on quantum hardware over the Iris dataset. The methodology embraced encapsulates an extensive array of experiments orchestrated through the Qiskit library, alongside hyperparameter optimization. The findings unveil that in particular scenarios, QSVMs extend a level of accuracy that can vie with classical SVMs, albeit the execution times are presently protracted. Moreover, we underscore that augmenting quantum computational capacity and the magnitude of parallelism can markedly ameliorate the performance of quantum machine learning algorithms. This inquiry furnishes invaluable insights regarding the extant scenario and future potentiality of machine learning applications in the quantum epoch. Colab: https://t.ly/QKuz0

We develop a spacetime neural network method with second order optimization for solving quantum dynamics from the high dimensional Schr\"{o}dinger equation. In contrast to the standard iterative first order optimization and the time-dependent variational principle, our approach utilizes the implicit mid-point method and generates the solution for all spatial and temporal values simultaneously after optimization. We demonstrate the method in the Schr\"{o}dinger equation with a self-normalized autoregressive spacetime neural network construction. Future explorations for solving different high dimensional differential equations are discussed.

The nexus of quantum computing and machine learning - quantum machine learning - offers the potential for significant advancements in chemistry. This review specifically explores the potential of quantum neural networks on gate-based quantum computers within the context of drug discovery. We discuss the theoretical foundations of quantum machine learning, including data encoding, variational quantum circuits, and hybrid quantum-classical approaches. Applications to drug discovery are highlighted, including molecular property prediction and molecular generation. We provide a balanced perspective, emphasizing both the potential benefits and the challenges that must be addressed.

Fully automated self-driving laboratories are promising to enable high-throughput and large-scale scientific discovery by reducing repetitive labour. However, effective automation requires deep integration of laboratory knowledge, which is often unstructured, multimodal, and difficult to incorporate into current AI systems. This paper introduces the k-agents framework, designed to support experimentalists in organizing laboratory knowledge and automating experiments with agents. Our framework employs large language model-based agents to encapsulate laboratory knowledge including available laboratory operations and methods for analyzing experiment results. To automate experiments, we introduce execution agents that break multi-step experimental procedures into state machines, interact with other agents to execute each step and analyze the experiment results. The analyzed results are then utilized to drive state transitions, enabling closed-loop feedback control. To demonstrate its capabilities, we applied the agents to calibrate and operate a superconducting quantum processor, where they autonomously planned and executed experiments for hours, successfully producing and characterizing entangled quantum states at the level achieved by human scientists. Our knowledge-based agent system opens up new possibilities for managing laboratory knowledge and accelerating scientific discovery.

Pruning neural networks, which involves removing a fraction of their weights, can often maintain high accuracy while significantly reducing model complexity, at least up to a certain limit. We present a neural network pruning technique that builds upon the Combinatorial Brain Surgeon, but solves an optimization problem over a subset of the network weights in an iterative, block-wise manner using block coordinate descent. The iterative, block-based nature of this pruning technique, which we dub ``iterative Combinatorial Brain Surgeon'' (iCBS) allows for scalability to very large models, including large language models (LLMs), that may not be feasible with a one-shot combinatorial optimization approach. When applied to large models like Mistral and DeiT, iCBS achieves higher performance metrics at the same density levels compared to existing pruning methods such as Wanda. This demonstrates the effectiveness of this iterative, block-wise pruning method in compressing and optimizing the performance of large deep learning models, even while optimizing over only a small fraction of the weights. Moreover, our approach allows for a quality-time (or cost) tradeoff that is not available when using a one-shot pruning technique alone. The block-wise formulation of the optimization problem enables the use of hardware accelerators, potentially offsetting the increased computational costs compared to one-shot pruning methods like Wanda. In particular, the optimization problem solved for each block is quantum-amenable in that it could, in principle, be solved by a quantum computer.

Tremendous progress has been made in reinforcement learning (RL) over the past decade. Most of these advancements came through the continual development of new algorithms, which were designed using a combination of mathematical derivations, intuitions, and experimentation. Such an approach of creating algorithms manually is limited by human understanding and ingenuity. In contrast, meta-learning provides a toolkit for automatic machine learning method optimisation, potentially addressing this flaw. However, black-box approaches which attempt to discover RL algorithms with minimal prior structure have thus far not outperformed existing hand-crafted algorithms. Mirror Learning, which includes RL algorithms, such as PPO, offers a potential middle-ground starting point: while every method in this framework comes with theoretical guarantees, components that differentiate them are subject to design. In this paper we explore the Mirror Learning space by meta-learning a "drift" function. We refer to the immediate result as Learnt Policy Optimisation (LPO). By analysing LPO we gain original insights into policy optimisation which we use to formulate a novel, closed-form RL algorithm, Discovered Policy Optimisation (DPO). Our experiments in Brax environments confirm state-of-the-art performance of LPO and DPO, as well as their transfer to unseen settings.

Here we investigate the role of quantum interference in the quantum homogenizer, whose convergence properties model a thermalization process. In the original quantum homogenizer protocol, a system qubit converges to the state of identical reservoir qubits through partial-swap interactions, that allow interference between reservoir qubits. We design an alternative, incoherent quantum homogenizer, where each system-reservoir interaction is moderated by a control qubit using a controlled-swap interaction. We show that our incoherent homogenizer satisfies the essential conditions for homogenization, being able to transform a qubit from any state to any other state to arbitrary accuracy, with negligible impact on the reservoir qubits' states. Our results show that the convergence properties of homogenization machines that are important for modelling thermalization are not dependent on coherence between qubits in the homogenization protocol. We then derive bounds on the resources required to re-use the homogenizers for performing state transformations. This demonstrates that both homogenizers are universal for any number of homogenizations, for an increased resource cost.

Binary classical information is routinely encoded in the two metastable states of a dynamical system. Since these states may exhibit macroscopic lifetimes, the encoded information inherits a strong protection against bit-flips. A recent qubit - the cat-qubit - is encoded in the manifold of metastable states of a quantum dynamical system, thereby acquiring bit-flip protection. An outstanding challenge is to gain quantum control over such a system without breaking its protection. If this challenge is met, significant shortcuts in hardware overhead are forecast for quantum computing. In this experiment, we implement a cat-qubit with bit-flip times exceeding ten seconds. This is a four order of magnitude improvement over previous cat-qubit implementations, and six orders of magnitude enhancement over the single photon lifetime that compose this dynamical qubit. This was achieved by introducing a quantum tomography protocol that does not break bit-flip protection. We prepare and image quantum superposition states, and measure phase-flip times above 490 nanoseconds. Most importantly, we control the phase of these superpositions while maintaining the bit-flip time above ten seconds. This work demonstrates quantum operations that preserve macroscopic bit-flip times, a necessary step to scale these dynamical qubits into fully protected hardware-efficient architectures.

We give a quantum algorithm for computing an epsilon-approximate Nash equilibrium of a zero-sum game in a m times n payoff matrix with bounded entries. Given a standard quantum oracle for accessing the payoff matrix our algorithm runs in time O(m + ncdot epsilon^{-2.5} + epsilon^{-3}) and outputs a classical representation of the epsilon-approximate Nash equilibrium. This improves upon the best prior quantum runtime of O(m + n cdot epsilon^{-3}) obtained by [vAG19] and the classic O((m + n) cdot epsilon^{-2}) runtime due to [GK95] whenever epsilon = Omega((m +n)^{-1}). We obtain this result by designing new quantum data structures for efficiently sampling from a slowly-changing Gibbs distribution.

The original Grover's algorithm suffers from the souffle problem, which means that the success probability of quantum search decreases dramatically if the iteration time is too small or too large from the right time. To overcome the souffle problem, the fixed-point quantum search with an optimal number of queries was proposed [Phys. Rev. Lett. 113, 210501 (2014)], which always finds a marked state with a high probability when a lower bound of the proportion of marked states is given. The fixed-point quantum search relies on a key lemma regarding the explicit formula of recursive quasi-Chebyshev polynomials, but its proof is not given explicitly. In this work, we give a detailed proof of this lemma, thus providing a sound foundation for the correctness of the fixed-point quantum search. This lemma may be of independent interest as well, since it expands the mathematical form of the recursive relation of Chebyshev polynomials of the first kind, and it also constitutes a key component in overcoming the souffle problem of quantum walk-based search algorithms, for example, robust quantum walk search on complete bipartite graphs [Phys. Rev. A 106, 052207 (2022)]. Hopefully, more applications of the lemma will be found in the future.

Stateful policies play an important role in reinforcement learning, such as handling partially observable environments, enhancing robustness, or imposing an inductive bias directly into the policy structure. The conventional method for training stateful policies is Backpropagation Through Time (BPTT), which comes with significant drawbacks, such as slow training due to sequential gradient propagation and the occurrence of vanishing or exploding gradients. The gradient is often truncated to address these issues, resulting in a biased policy update. We present a novel approach for training stateful policies by decomposing the latter into a stochastic internal state kernel and a stateless policy, jointly optimized by following the stateful policy gradient. We introduce different versions of the stateful policy gradient theorem, enabling us to easily instantiate stateful variants of popular reinforcement learning and imitation learning algorithms. Furthermore, we provide a theoretical analysis of our new gradient estimator and compare it with BPTT. We evaluate our approach on complex continuous control tasks, e.g., humanoid locomotion, and demonstrate that our gradient estimator scales effectively with task complexity while offering a faster and simpler alternative to BPTT.

The ambition of harnessing the quantum for computation is at odds with the fundamental phenomenon of decoherence. The purpose of quantum error correction (QEC) is to counteract the natural tendency of a complex system to decohere. This cooperative process, which requires participation of multiple quantum and classical components, creates a special type of dissipation that removes the entropy caused by the errors faster than the rate at which these errors corrupt the stored quantum information. Previous experimental attempts to engineer such a process faced an excessive generation of errors that overwhelmed the error-correcting capability of the process itself. Whether it is practically possible to utilize QEC for extending quantum coherence thus remains an open question. We answer it by demonstrating a fully stabilized and error-corrected logical qubit whose quantum coherence is significantly longer than that of all the imperfect quantum components involved in the QEC process, beating the best of them with a coherence gain of G = 2.27 pm 0.07. We achieve this performance by combining innovations in several domains including the fabrication of superconducting quantum circuits and model-free reinforcement learning.

Efficiently compiling quantum operations remains a major bottleneck in scaling quantum computing. Today's state-of-the-art methods achieve low compilation error by combining search algorithms with gradient-based parameter optimization, but they incur long runtimes and require multiple calls to quantum hardware or expensive classical simulations, making their scaling prohibitive. Recently, machine-learning models have emerged as an alternative, though they are currently restricted to discrete gate sets. Here, we introduce a multimodal denoising diffusion model that simultaneously generates a circuit's structure and its continuous parameters for compiling a target unitary. It leverages two independent diffusion processes, one for discrete gate selection and one for parameter prediction. We benchmark the model over different experiments, analyzing the method's accuracy across varying qubit counts, circuit depths, and proportions of parameterized gates. Finally, by exploiting its rapid circuit generation, we create large datasets of circuits for particular operations and use these to extract valuable heuristics that can help us discover new insights into quantum circuit synthesis.

Machine learning and quantum computing are two technologies each with the potential for altering how computation is performed to address previously untenable problems. Kernel methods for machine learning are ubiquitous for pattern recognition, with support vector machines (SVMs) being the most well-known method for classification problems. However, there are limitations to the successful solution to such problems when the feature space becomes large, and the kernel functions become computationally expensive to estimate. A core element to computational speed-ups afforded by quantum algorithms is the exploitation of an exponentially large quantum state space through controllable entanglement and interference. Here, we propose and experimentally implement two novel methods on a superconducting processor. Both methods represent the feature space of a classification problem by a quantum state, taking advantage of the large dimensionality of quantum Hilbert space to obtain an enhanced solution. One method, the quantum variational classifier builds on [1,2] and operates through using a variational quantum circuit to classify a training set in direct analogy to conventional SVMs. In the second, a quantum kernel estimator, we estimate the kernel function and optimize the classifier directly. The two methods present a new class of tools for exploring the applications of noisy intermediate scale quantum computers [3] to machine learning.

Reinforcement Learning (RL) from Human Preference-based feedback is a popular paradigm for fine-tuning generative models, which has produced impressive models such as GPT-4 and Claude3 Opus. This framework often consists of two steps: learning a reward model from an offline preference dataset followed by running online RL to optimize the learned reward model. In this work, leveraging the idea of reset, we propose a new RLHF algorithm with provable guarantees. Motivated by the fact that offline preference dataset provides informative states (i.e., data that is preferred by the labelers), our new algorithm, Dataset Reset Policy Optimization (DR-PO), integrates the existing offline preference dataset into the online policy training procedure via dataset reset: it directly resets the policy optimizer to the states in the offline dataset, instead of always starting from the initial state distribution. In theory, we show that DR-PO learns to perform at least as good as any policy that is covered by the offline dataset under general function approximation with finite sample complexity. In experiments, we demonstrate that on both the TL;DR summarization and the Anthropic Helpful Harmful (HH) dataset, the generation from DR-PO is better than that from Proximal Policy Optimization (PPO) and Direction Preference Optimization (DPO), under the metric of GPT4 win-rate. Code for this work can be found at https://github.com/Cornell-RL/drpo.

Reinforcement learning (RL) provides a theoretical framework for continuously improving an agent's behavior via trial and error. However, efficiently learning policies from scratch can be very difficult, particularly for tasks with exploration challenges. In such settings, it might be desirable to initialize RL with an existing policy, offline data, or demonstrations. However, naively performing such initialization in RL often works poorly, especially for value-based methods. In this paper, we present a meta algorithm that can use offline data, demonstrations, or a pre-existing policy to initialize an RL policy, and is compatible with any RL approach. In particular, we propose Jump-Start Reinforcement Learning (JSRL), an algorithm that employs two policies to solve tasks: a guide-policy, and an exploration-policy. By using the guide-policy to form a curriculum of starting states for the exploration-policy, we are able to efficiently improve performance on a set of simulated robotic tasks. We show via experiments that JSRL is able to significantly outperform existing imitation and reinforcement learning algorithms, particularly in the small-data regime. In addition, we provide an upper bound on the sample complexity of JSRL and show that with the help of a guide-policy, one can improve the sample complexity for non-optimism exploration methods from exponential in horizon to polynomial.

Quantum circuits -- built from local unitary gates and local measurements -- are a new playground for quantum many-body physics and a tractable setting to explore universal collective phenomena far-from-equilibrium. These models have shed light on longstanding questions about thermalization and chaos, and on the underlying universal dynamics of quantum information and entanglement. In addition, such models generate new sets of questions and give rise to phenomena with no traditional analog, such as new dynamical phases in quantum systems that are monitored by an external observer. Quantum circuit dynamics is also topical in view of experimental progress in building digital quantum simulators that allow control of precisely these ingredients. Randomness in the circuit elements allows a high level of theoretical control, with a key theme being mappings between real-time quantum dynamics and effective classical lattice models or dynamical processes. Many of the universal phenomena that can be identified in this tractable setting apply to much wider classes of more structured many-body dynamics.

This paper aims to overcome a major obstacle in scaling RL for reasoning with LLMs, namely the collapse of policy entropy. Such phenomenon is consistently observed across vast RL runs without entropy intervention, where the policy entropy dropped sharply at the early training stage, this diminished exploratory ability is always accompanied with the saturation of policy performance. In practice, we establish a transformation equation R=-a*e^H+b between entropy H and downstream performance R. This empirical law strongly indicates that, the policy performance is traded from policy entropy, thus bottlenecked by its exhaustion, and the ceiling is fully predictable H=0, R=-a+b. Our finding necessitates entropy management for continuous exploration toward scaling compute for RL. To this end, we investigate entropy dynamics both theoretically and empirically. Our derivation highlights that, the change in policy entropy is driven by the covariance between action probability and the change in logits, which is proportional to its advantage when using Policy Gradient-like algorithms. Empirical study shows that, the values of covariance term and entropy differences matched exactly, supporting the theoretical conclusion. Moreover, the covariance term stays mostly positive throughout training, further explaining why policy entropy would decrease monotonically. Through understanding the mechanism behind entropy dynamics, we motivate to control entropy by restricting the update of high-covariance tokens. Specifically, we propose two simple yet effective techniques, namely Clip-Cov and KL-Cov, which clip and apply KL penalty to tokens with high covariances respectively. Experiments show that these methods encourage exploration, thus helping policy escape entropy collapse and achieve better downstream performance.

We introduce distributional dynamic programming (DP) methods for optimizing statistical functionals of the return distribution, with standard reinforcement learning as a special case. Previous distributional DP methods could optimize the same class of expected utilities as classic DP. To go beyond expected utilities, we combine distributional DP with stock augmentation, a technique previously introduced for classic DP in the context of risk-sensitive RL, where the MDP state is augmented with a statistic of the rewards obtained so far (since the first time step). We find that a number of recently studied problems can be formulated as stock-augmented return distribution optimization, and we show that we can use distributional DP to solve them. We analyze distributional value and policy iteration, with bounds and a study of what objectives these distributional DP methods can or cannot optimize. We describe a number of applications outlining how to use distributional DP to solve different stock-augmented return distribution optimization problems, for example maximizing conditional value-at-risk, and homeostatic regulation. To highlight the practical potential of stock-augmented return distribution optimization and distributional DP, we combine the core ideas of distributional value iteration with the deep RL agent DQN, and empirically evaluate it for solving instances of the applications discussed.

Recent advances in reinforcement learning (RL) have shown much promise across a variety of applications. However, issues such as scalability, explainability, and Markovian assumptions limit its applicability in certain domains. We observe that many of these shortcomings emanate from the simulator as opposed to the RL training algorithms themselves. As such, we propose a semantic proxy for simulation based on a temporal extension to annotated logic. In comparison with two high-fidelity simulators, we show up to three orders of magnitude speed-up while preserving the quality of policy learned. In addition, we show the ability to model and leverage non-Markovian dynamics and instantaneous actions while providing an explainable trace describing the outcomes of the agent actions.

Classical methods to simulate quantum systems are not only a key element of the physicist's toolkit for studying many-body models but are also increasingly important for verifying and challenging upcoming quantum computers. Pauli propagation has recently emerged as a promising new family of classical algorithms for simulating digital quantum systems. Here we provide a comprehensive account of Pauli propagation, tracing its algorithmic structure from its bit-level implementation and formulation as a tree-search problem, all the way to its high-level user applications for simulating quantum circuits and dynamics. Utilising these observations, we present PauliPropagation.jl, a Julia software package that can perform rapid Pauli propagation simulation straight out-of-the-box and can be used more generally as a building block for novel simulation algorithms.

The intrinsic probabilistic nature of quantum systems makes error correction or mitigation indispensable for quantum computation. While current error-correcting strategies focus on correcting errors in quantum states or quantum gates, these fine-grained error-correction methods can incur significant overhead for quantum algorithms of increasing complexity. We present a first step in achieving error correction at the level of quantum algorithms by combining a unified perspective on modern quantum algorithms via quantum signal processing (QSP). An error model of under- or over-rotation of the signal processing operator parameterized by epsilon < 1 is introduced. It is shown that while Pauli Z-errors are not recoverable without additional resources, Pauli X and Y errors can be arbitrarily suppressed by coherently appending a noisy `recovery QSP.' Furthermore, it is found that a recovery QSP of length O(2^k c^{k^2} d) is sufficient to correct any length-d QSP with c unique phases to k^{th}-order in error epsilon. Allowing an additional assumption, a lower bound of Omega(cd) is shown, which is tight for k = 1, on the length of the recovery sequence. Our algorithmic-level error correction method is applied to Grover's fixed-point search algorithm as a demonstration.

Recent improvements in conditional generative modeling have made it possible to generate high-quality images from language descriptions alone. We investigate whether these methods can directly address the problem of sequential decision-making. We view decision-making not through the lens of reinforcement learning (RL), but rather through conditional generative modeling. To our surprise, we find that our formulation leads to policies that can outperform existing offline RL approaches across standard benchmarks. By modeling a policy as a return-conditional diffusion model, we illustrate how we may circumvent the need for dynamic programming and subsequently eliminate many of the complexities that come with traditional offline RL. We further demonstrate the advantages of modeling policies as conditional diffusion models by considering two other conditioning variables: constraints and skills. Conditioning on a single constraint or skill during training leads to behaviors at test-time that can satisfy several constraints together or demonstrate a composition of skills. Our results illustrate that conditional generative modeling is a powerful tool for decision-making.

Rydberg atom arrays have emerged as a powerful platform to simulate a number of exotic quantum ground states and phase transitions. To verify these capabilities numerically, we develop a versatile quantum Monte Carlo sampling technique which operates in the reduced Hilbert space generated by enforcing the constraint of a Rydberg blockade. We use the framework of stochastic series expansion and show that in the restricted space, the configuration space of operator strings can be understood as a hard rod gas in d+1 dimensions. We use this mapping to develop cluster algorithms which can be visualized as various non-local movements of rods. We study the efficiency of each of our updates individually and collectively. To elucidate the utility of the algorithm, we show that it can efficiently generate the phase diagram of a Rydberg atom array, to temperatures much smaller than all energy scales involved, on a Kagom\'e link lattice. This is of broad interest as the presence of a Z_2 spin liquid has been hypothesized recently.

We analyze the DP (differential privacy) properties of the quantum recommendation algorithm and the quantum-inspired-classical recommendation algorithm. We discover that the quantum recommendation algorithm is a privacy curating mechanism on its own, requiring no external noise, which is different from traditional differential privacy mechanisms. In our analysis, a novel perturbation method tailored for SVD (singular value decomposition) and low-rank matrix approximation problems is introduced. Using the perturbation method and random matrix theory, we are able to derive that both the quantum and quantum-inspired-classical algorithms are big(mathcal{O}big(frac 1nbig),,, mathcal{O}big(1{min{m,n}}big)big)-DP under some reasonable restrictions, where m and n are numbers of users and products in the input preference database respectively. Nevertheless, a comparison shows that the quantum algorithm has better privacy preserving potential than the classical one.

Most offline reinforcement learning (RL) algorithms return a target policy maximizing a trade-off between (1) the expected performance gain over the behavior policy that collected the dataset, and (2) the risk stemming from the out-of-distribution-ness of the induced state-action occupancy. It follows that the performance of the target policy is strongly related to the performance of the behavior policy and, thus, the trajectory return distribution of the dataset. We show that in mixed datasets consisting of mostly low-return trajectories and minor high-return trajectories, state-of-the-art offline RL algorithms are overly restrained by low-return trajectories and fail to exploit high-performing trajectories to the fullest. To overcome this issue, we show that, in deterministic MDPs with stochastic initial states, the dataset sampling can be re-weighted to induce an artificial dataset whose behavior policy has a higher return. This re-weighted sampling strategy may be combined with any offline RL algorithm. We further analyze that the opportunity for performance improvement over the behavior policy correlates with the positive-sided variance of the returns of the trajectories in the dataset. We empirically show that while CQL, IQL, and TD3+BC achieve only a part of this potential policy improvement, these same algorithms combined with our reweighted sampling strategy fully exploit the dataset. Furthermore, we empirically demonstrate that, despite its theoretical limitation, the approach may still be efficient in stochastic environments. The code is available at https://github.com/Improbable-AI/harness-offline-rl.

We study the autonomous exploration (AX) problem proposed by Lim & Auer (2012). In this setting, the objective is to discover a set of epsilon-optimal policies reaching a set S_L^{rightarrow} of incrementally L-controllable states. We introduce a novel layered decomposition of the set of incrementally L-controllable states that is based on the iterative application of a state-expansion operator. We leverage these results to design Layered Autonomous Exploration (LAE), a novel algorithm for AX that attains a sample complexity of mathcal{O}(LS^{rightarrow}_{L(1+epsilon)}Gamma_{L(1+epsilon)} A ln^{12}(S^{rightarrow}_{L(1+epsilon)})/epsilon^2), where S^{rightarrow}_{L(1+epsilon)} is the number of states that are incrementally L(1+epsilon)-controllable, A is the number of actions, and Gamma_{L(1+epsilon)} is the branching factor of the transitions over such states. LAE improves over the algorithm of Tarbouriech et al. (2020a) by a factor of L^2 and it is the first algorithm for AX that works in a countably-infinite state space. Moreover, we show that, under a certain identifiability assumption, LAE achieves minimax-optimal sample complexity of mathcal{O}(LS^{rightarrow}_{L}Aln^{12}(S^{rightarrow}_{L})/epsilon^2), outperforming existing algorithms and matching for the first time the lower bound proved by Cai et al. (2022) up to logarithmic factors.

Recent work has shown that, under certain assumptions, zero-shot reinforcement learning (RL) methods can generalise to any unseen task in an environment after reward-free pre-training. Access to Markov states is one such assumption, yet, in many real-world applications, the Markov state is only partially observable. Here, we explore how the performance of standard zero-shot RL methods degrades when subjected to partially observability, and show that, as in single-task RL, memory-based architectures are an effective remedy. We evaluate our memory-based zero-shot RL methods in domains where the states, rewards and a change in dynamics are partially observed, and show improved performance over memory-free baselines. Our code is open-sourced via: https://enjeeneer.io/projects/bfms-with-memory/.

Standing as one of the most significant barriers to reaching quantum advantage, state-preparation fidelities on noisy intermediate-scale quantum processors suffer from quantum-gate errors, which accumulate over time. A potential remedy is pulse-based state preparation. We numerically investigate the minimal evolution times (METs) attainable by optimizing (microwave and exchange) pulses on silicon hardware. We investigate two state preparation tasks. First, we consider the preparation of molecular ground states and find the METs for H_2, HeH^+, and LiH to be 2.4 ns, 4.4 ns, and 27.2 ns, respectively. Second, we consider transitions between arbitrary states and find the METs for transitions between arbitrary four-qubit states to be below 50 ns. For comparison, connecting arbitrary two-qubit states via one- and two-qubit gates on the same silicon processor requires approximately 200 ns. This comparison indicates that pulse-based state preparation is likely to utilize the coherence times of silicon hardware more efficiently than gate-based state preparation. Finally, we quantify the effect of silicon device parameters on the MET. We show that increasing the maximal exchange amplitude from 10 MHz to 1 GHz accelerates the METs, e.g., for H_2 from 84.3 ns to 2.4 ns. This demonstrates the importance of fast exchange. We also show that increasing the maximal amplitude of the microwave drive from 884 kHz to 56.6 MHz shortens state transitions, e.g., for two-qubit states from 1000 ns to 25 ns. Our results bound both the state-preparation times for general quantum algorithms and the execution times of variational quantum algorithms with silicon spin qubits.

We study the learning dynamics of self-predictive learning for reinforcement learning, a family of algorithms that learn representations by minimizing the prediction error of their own future latent representations. Despite its recent empirical success, such algorithms have an apparent defect: trivial representations (such as constants) minimize the prediction error, yet it is obviously undesirable to converge to such solutions. Our central insight is that careful designs of the optimization dynamics are critical to learning meaningful representations. We identify that a faster paced optimization of the predictor and semi-gradient updates on the representation, are crucial to preventing the representation collapse. Then in an idealized setup, we show self-predictive learning dynamics carries out spectral decomposition on the state transition matrix, effectively capturing information of the transition dynamics. Building on the theoretical insights, we propose bidirectional self-predictive learning, a novel self-predictive algorithm that learns two representations simultaneously. We examine the robustness of our theoretical insights with a number of small-scale experiments and showcase the promise of the novel representation learning algorithm with large-scale experiments.

This paper proposes a policy learning algorithm based on the Koopman operator theory and policy gradient approach, which seeks to approximate an unknown dynamical system and search for optimal policy simultaneously, using the observations gathered through interaction with the environment. The proposed algorithm has two innovations: first, it introduces the so-called deep Koopman representation into the policy gradient to achieve a linear approximation of the unknown dynamical system, all with the purpose of improving data efficiency; second, the accumulated errors for long-term tasks induced by approximating system dynamics are avoided by applying Bellman's principle of optimality. Furthermore, a theoretical analysis is provided to prove the asymptotic convergence of the proposed algorithm and characterize the corresponding sampling complexity. These conclusions are also supported by simulations on several challenging benchmark environments.

We introduce Diffusion Policy Policy Optimization, DPPO, an algorithmic framework including best practices for fine-tuning diffusion-based policies (e.g. Diffusion Policy) in continuous control and robot learning tasks using the policy gradient (PG) method from reinforcement learning (RL). PG methods are ubiquitous in training RL policies with other policy parameterizations; nevertheless, they had been conjectured to be less efficient for diffusion-based policies. Surprisingly, we show that DPPO achieves the strongest overall performance and efficiency for fine-tuning in common benchmarks compared to other RL methods for diffusion-based policies and also compared to PG fine-tuning of other policy parameterizations. Through experimental investigation, we find that DPPO takes advantage of unique synergies between RL fine-tuning and the diffusion parameterization, leading to structured and on-manifold exploration, stable training, and strong policy robustness. We further demonstrate the strengths of DPPO in a range of realistic settings, including simulated robotic tasks with pixel observations, and via zero-shot deployment of simulation-trained policies on robot hardware in a long-horizon, multi-stage manipulation task. Website with code: diffusion-ppo.github.io

Policy optimization methods are popular reinforcement learning algorithms in practice. Recent works have built theoretical foundation for them by proving T regret bounds even when the losses are adversarial. Such bounds are tight in the worst case but often overly pessimistic. In this work, we show that in tabular Markov decision processes (MDPs), by properly designing the regularizer, the exploration bonus and the learning rates, one can achieve a more favorable polylog(T) regret when the losses are stochastic, without sacrificing the worst-case guarantee in the adversarial regime. To our knowledge, this is also the first time a gap-dependent polylog(T) regret bound is shown for policy optimization. Specifically, we achieve this by leveraging a Tsallis entropy or a Shannon entropy regularizer in the policy update. Then we show that under known transitions, we can further obtain a first-order regret bound in the adversarial regime by leveraging the log-barrier regularizer.

We study reinforcement learning with function approximation for large-scale Partially Observable Markov Decision Processes (POMDPs) where the state space and observation space are large or even continuous. Particularly, we consider Hilbert space embeddings of POMDP where the feature of latent states and the feature of observations admit a conditional Hilbert space embedding of the observation emission process, and the latent state transition is deterministic. Under the function approximation setup where the optimal latent state-action Q-function is linear in the state feature, and the optimal Q-function has a gap in actions, we provide a computationally and statistically efficient algorithm for finding the exact optimal policy. We show our algorithm's computational and statistical complexities scale polynomially with respect to the horizon and the intrinsic dimension of the feature on the observation space. Furthermore, we show both the deterministic latent transitions and gap assumptions are necessary to avoid statistical complexity exponential in horizon or dimension. Since our guarantee does not have an explicit dependence on the size of the state and observation spaces, our algorithm provably scales to large-scale POMDPs.

The varying significance of distinct primitive behaviors during the policy learning process has been overlooked by prior model-free RL algorithms. Leveraging this insight, we explore the causal relationship between different action dimensions and rewards to evaluate the significance of various primitive behaviors during training. We introduce a causality-aware entropy term that effectively identifies and prioritizes actions with high potential impacts for efficient exploration. Furthermore, to prevent excessive focus on specific primitive behaviors, we analyze the gradient dormancy phenomenon and introduce a dormancy-guided reset mechanism to further enhance the efficacy of our method. Our proposed algorithm, ACE: Off-policy Actor-critic with Causality-aware Entropy regularization, demonstrates a substantial performance advantage across 29 diverse continuous control tasks spanning 7 domains compared to model-free RL baselines, which underscores the effectiveness, versatility, and efficient sample efficiency of our approach. Benchmark results and videos are available at https://ace-rl.github.io/.

Quantum reservoir computing is strongly emerging for sequential and time series data prediction in quantum machine learning. We make advancements to the quantum noise-induced reservoir, in which reservoir noise is used as a resource to generate expressive, nonlinear signals that are efficiently learned with a single linear output layer. We address the need for quantum reservoir tuning with a novel and generally applicable approach to quantum circuit parameterization, in which tunable noise models are programmed to the quantum reservoir circuit to be fully controlled for effective optimization. Our systematic approach also involves reductions in quantum reservoir circuits in the number of qubits and entanglement scheme complexity. We show that with only a single noise model and small memory capacities, excellent simulation results were obtained on nonlinear benchmarks that include the Mackey-Glass system for 100 steps ahead in the challenging chaotic regime.

Actor-critic algorithms have become a cornerstone in reinforcement learning (RL), leveraging the strengths of both policy-based and value-based methods. Despite recent progress in understanding their statistical efficiency, no existing work has successfully learned an epsilon-optimal policy with a sample complexity of O(1/epsilon^2) trajectories with general function approximation when strategic exploration is necessary. We address this open problem by introducing a novel actor-critic algorithm that attains a sample-complexity of O(dH^5 log|A|/epsilon^2 + d H^4 log|F|/ epsilon^2) trajectories, and accompanying T regret when the Bellman eluder dimension d does not increase with T at more than a log T rate. Here, F is the critic function class, A is the action space, and H is the horizon in the finite horizon MDP setting. Our algorithm integrates optimism, off-policy critic estimation targeting the optimal Q-function, and rare-switching policy resets. We extend this to the setting of Hybrid RL, showing that initializing the critic with offline data yields sample efficiency gains compared to purely offline or online RL. Further, utilizing access to offline data, we provide a non-optimistic provably efficient actor-critic algorithm that only additionally requires N_{off} geq c_{off}^*dH^4/epsilon^2 in exchange for omitting optimism, where c_{off}^* is the single-policy concentrability coefficient and N_{off} is the number of offline samples. This addresses another open problem in the literature. We further provide numerical experiments to support our theoretical findings.

We propose a new family of policy gradient methods for reinforcement learning, which alternate between sampling data through interaction with the environment, and optimizing a "surrogate" objective function using stochastic gradient ascent. Whereas standard policy gradient methods perform one gradient update per data sample, we propose a novel objective function that enables multiple epochs of minibatch updates. The new methods, which we call proximal policy optimization (PPO), have some of the benefits of trust region policy optimization (TRPO), but they are much simpler to implement, more general, and have better sample complexity (empirically). Our experiments test PPO on a collection of benchmark tasks, including simulated robotic locomotion and Atari game playing, and we show that PPO outperforms other online policy gradient methods, and overall strikes a favorable balance between sample complexity, simplicity, and wall-time.

We present a methodology to price options and portfolios of options on a gate-based quantum computer using amplitude estimation, an algorithm which provides a quadratic speedup compared to classical Monte Carlo methods. The options that we cover include vanilla options, multi-asset options and path-dependent options such as barrier options. We put an emphasis on the implementation of the quantum circuits required to build the input states and operators needed by amplitude estimation to price the different option types. Additionally, we show simulation results to highlight how the circuits that we implement price the different option contracts. Finally, we examine the performance of option pricing circuits on quantum hardware using the IBM Q Tokyo quantum device. We employ a simple, yet effective, error mitigation scheme that allows us to significantly reduce the errors arising from noisy two-qubit gates.

Recent Reinforcement Learning (RL) algorithms making use of Kullback-Leibler (KL) regularization as a core component have shown outstanding performance. Yet, only little is understood theoretically about why KL regularization helps, so far. We study KL regularization within an approximate value iteration scheme and show that it implicitly averages q-values. Leveraging this insight, we provide a very strong performance bound, the very first to combine two desirable aspects: a linear dependency to the horizon (instead of quadratic) and an error propagation term involving an averaging effect of the estimation errors (instead of an accumulation effect). We also study the more general case of an additional entropy regularizer. The resulting abstract scheme encompasses many existing RL algorithms. Some of our assumptions do not hold with neural networks, so we complement this theoretical analysis with an extensive empirical study.

We explore the use of quantum generative adversarial networks QGANs for modeling eye movement velocity data. We assess whether the advanced computational capabilities of QGANs can enhance the modeling of complex stochastic distribution beyond the traditional mathematical models, particularly the Markov model. The findings indicate that while QGANs demonstrate potential in approximating complex distributions, the Markov model consistently outperforms in accurately replicating the real data distribution. This comparison underlines the challenges and avenues for refinement in time series data generation using quantum computing techniques. It emphasizes the need for further optimization of quantum models to better align with real-world data characteristics.

Provably efficient Model-Based Reinforcement Learning (MBRL) based on optimism or posterior sampling (PSRL) is ensured to attain the global optimality asymptotically by introducing the complexity measure of the model. However, the complexity might grow exponentially for the simplest nonlinear models, where global convergence is impossible within finite iterations. When the model suffers a large generalization error, which is quantitatively measured by the model complexity, the uncertainty can be large. The sampled model that current policy is greedily optimized upon will thus be unsettled, resulting in aggressive policy updates and over-exploration. In this work, we propose Conservative Dual Policy Optimization (CDPO) that involves a Referential Update and a Conservative Update. The policy is first optimized under a reference model, which imitates the mechanism of PSRL while offering more stability. A conservative range of randomness is guaranteed by maximizing the expectation of model value. Without harmful sampling procedures, CDPO can still achieve the same regret as PSRL. More importantly, CDPO enjoys monotonic policy improvement and global optimality simultaneously. Empirical results also validate the exploration efficiency of CDPO.

This concept paper aims to provide a brief outline of quantum computers, explore existing methods of quantum image classification techniques, so focusing on remote sensing applications, and discuss the bottlenecks of performing these algorithms on currently available open source platforms. Initial results demonstrate feasibility. Next steps include expanding the size of the quantum hidden layer and increasing the variety of output image options.

We propose a new method for count-based exploration in high-dimensional state spaces. Unlike previous work which relies on density models, we show that counts can be derived by averaging samples from the Rademacher distribution (or coin flips). This insight is used to set up a simple supervised learning objective which, when optimized, yields a state's visitation count. We show that our method is significantly more effective at deducing ground-truth visitation counts than previous work; when used as an exploration bonus for a model-free reinforcement learning algorithm, it outperforms existing approaches on most of 9 challenging exploration tasks, including the Atari game Montezuma's Revenge.

Living systems face both environmental complexity and limited access to free-energy resources. Survival under these conditions requires a control system that can activate, or deploy, available perception and action resources in a context specific way. We show here that when systems are described as executing active inference driven by the free-energy principle (and hence can be considered Bayesian prediction-error minimizers), their control flow systems can always be represented as tensor networks (TNs). We show how TNs as control systems can be implmented within the general framework of quantum topological neural networks, and discuss the implications of these results for modeling biological systems at multiple scales.

Many hybrid quantum-classical algorithms for the application of ground state energy estimation in quantum chemistry involve estimating the expectation value of a molecular Hamiltonian with respect to a quantum state through measurements on a quantum device. To guide the selection of measurement methods designed for this observable estimation problem, we propose a benchmark called CSHOREBench (Common States and Hamiltonians for ObseRvable Estimation Benchmark) that assesses the performance of these methods against a set of common molecular Hamiltonians and common states encountered during the runtime of hybrid quantum-classical algorithms. In CSHOREBench, we account for resource utilization of a quantum computer through measurements of a prepared state, and a classical computer through computational runtime spent in proposing measurements and classical post-processing of acquired measurement outcomes. We apply CSHOREBench considering a variety of measurement methods on Hamiltonians of size up to 16 qubits. Our discussion is aided by using the framework of decision diagrams which provides an efficient data structure for various randomized methods and illustrate how to derandomize distributions on decision diagrams. In numerical simulations, we find that the methods of decision diagrams and derandomization are the most preferable. In experiments on IBM quantum devices against small molecules, we observe that decision diagrams reduces the number of measurements made by classical shadows by more than 80%, that made by locally biased classical shadows by around 57%, and consistently require fewer quantum measurements along with lower classical computational runtime than derandomization. Furthermore, CSHOREBench is empirically efficient to run when considering states of random quantum ansatz with fixed depth.

We consider the problem of preference based reinforcement learning (PbRL), where, unlike traditional reinforcement learning, an agent receives feedback only in terms of a 1 bit (0/1) preference over a trajectory pair instead of absolute rewards for them. The success of the traditional RL framework crucially relies on the underlying agent-reward model, which, however, depends on how accurately a system designer can express an appropriate reward function and often a non-trivial task. The main novelty of our framework is the ability to learn from preference-based trajectory feedback that eliminates the need to hand-craft numeric reward models. This paper sets up a formal framework for the PbRL problem with non-markovian rewards, where the trajectory preferences are encoded by a generalized linear model of dimension d. Assuming the transition model is known, we then propose an algorithm with almost optimal regret guarantee of mathcal{O}left( SH d log (T / delta) T right). We further, extend the above algorithm to the case of unknown transition dynamics, and provide an algorithm with near optimal regret guarantee mathcal{O}((d + H^2 + |S|)dT +|mathcal{S||A|TH} ). To the best of our knowledge, our work is one of the first to give tight regret guarantees for preference based RL problems with trajectory preferences.

Recent studies have shown that episodic reinforcement learning (RL) is no harder than bandits when the total reward is bounded by 1, and proved regret bounds that have a polylogarithmic dependence on the planning horizon H. However, it remains an open question that if such results can be carried over to adversarial RL, where the reward is adversarially chosen at each episode. In this paper, we answer this question affirmatively by proposing the first horizon-free policy search algorithm. To tackle the challenges caused by exploration and adversarially chosen reward, our algorithm employs (1) a variance-uncertainty-aware weighted least square estimator for the transition kernel; and (2) an occupancy measure-based technique for the online search of a stochastic policy. We show that our algorithm achieves an Obig((d+log (|S|^2 |A|))Kbig) regret with full-information feedback, where d is the dimension of a known feature mapping linearly parametrizing the unknown transition kernel of the MDP, K is the number of episodes, |S| and |A| are the cardinalities of the state and action spaces. We also provide hardness results and regret lower bounds to justify the near optimality of our algorithm and the unavoidability of log|S| and log|A| in the regret bound.

We propose a unified framework to study policy evaluation (PE) and the associated temporal difference (TD) methods for reinforcement learning in continuous time and space. We show that PE is equivalent to maintaining the martingale condition of a process. From this perspective, we find that the mean--square TD error approximates the quadratic variation of the martingale and thus is not a suitable objective for PE. We present two methods to use the martingale characterization for designing PE algorithms. The first one minimizes a "martingale loss function", whose solution is proved to be the best approximation of the true value function in the mean--square sense. This method interprets the classical gradient Monte-Carlo algorithm. The second method is based on a system of equations called the "martingale orthogonality conditions" with test functions. Solving these equations in different ways recovers various classical TD algorithms, such as TD(lambda), LSTD, and GTD. Different choices of test functions determine in what sense the resulting solutions approximate the true value function. Moreover, we prove that any convergent time-discretized algorithm converges to its continuous-time counterpart as the mesh size goes to zero, and we provide the convergence rate. We demonstrate the theoretical results and corresponding algorithms with numerical experiments and applications.

Quantum Computing is a new and exciting field at the intersection of mathematics, computer science and physics. It concerns a utilization of quantum mechanics to improve the efficiency of computation. Here we present a gentle introduction to some of the ideas in quantum computing. The paper begins by motivating the central ideas of quantum mechanics and quantum computation with simple toy models. From there we move on to a formal presentation of the small fraction of (finite dimensional) quantum mechanics that we will need for basic quantum computation. Central notions of quantum architecture (qubits and quantum gates) are described. The paper ends with a presentation of one of the simplest quantum algorithms: Deutsch's algorithm. Our presentation demands neither advanced mathematics nor advanced physics.

The dot product attention mechanism, originally designed for natural language processing tasks, is a cornerstone of modern Transformers. It adeptly captures semantic relationships between word pairs in sentences by computing a similarity overlap between queries and keys. In this work, we explore the suitability of Transformers, focusing on their attention mechanisms, in the specific domain of the parametrization of variational wave functions to approximate ground states of quantum many-body spin Hamiltonians. Specifically, we perform numerical simulations on the two-dimensional J_1-J_2 Heisenberg model, a common benchmark in the field of quantum many-body systems on lattice. By comparing the performance of standard attention mechanisms with a simplified version that excludes queries and keys, relying solely on positions, we achieve competitive results while reducing computational cost and parameter usage. Furthermore, through the analysis of the attention maps generated by standard attention mechanisms, we show that the attention weights become effectively input-independent at the end of the optimization. We support the numerical results with analytical calculations, providing physical insights of why queries and keys should be, in principle, omitted from the attention mechanism when studying large systems.

Dealing with sparse rewards is one of the biggest challenges in Reinforcement Learning (RL). We present a novel technique called Hindsight Experience Replay which allows sample-efficient learning from rewards which are sparse and binary and therefore avoid the need for complicated reward engineering. It can be combined with an arbitrary off-policy RL algorithm and may be seen as a form of implicit curriculum. We demonstrate our approach on the task of manipulating objects with a robotic arm. In particular, we run experiments on three different tasks: pushing, sliding, and pick-and-place, in each case using only binary rewards indicating whether or not the task is completed. Our ablation studies show that Hindsight Experience Replay is a crucial ingredient which makes training possible in these challenging environments. We show that our policies trained on a physics simulation can be deployed on a physical robot and successfully complete the task.

We focus on developing efficient and reliable policy optimization strategies for robot learning with real-world data. In recent years, policy gradient methods have emerged as a promising paradigm for training control policies in simulation. However, these approaches often remain too data inefficient or unreliable to train on real robotic hardware. In this paper we introduce a novel policy gradient-based policy optimization framework which systematically leverages a (possibly highly simplified) first-principles model and enables learning precise control policies with limited amounts of real-world data. Our approach 1) uses the derivatives of the model to produce sample-efficient estimates of the policy gradient and 2) uses the model to design a low-level tracking controller, which is embedded in the policy class. Theoretical analysis provides insight into how the presence of this feedback controller addresses overcomes key limitations of stand-alone policy gradient methods, while hardware experiments with a small car and quadruped demonstrate that our approach can learn precise control strategies reliably and with only minutes of real-world data.

Quantum algorithms, represented as quantum circuits, can be used as benchmarks for assessing the performance of quantum systems. Existing datasets, widely utilized in the field, suffer from limitations in size and versatility, leading researchers to employ randomly generated circuits. Random circuits are, however, not representative benchmarks as they lack the inherent properties of real quantum algorithms for which the quantum systems are manufactured. This shortage of `useful' quantum benchmarks poses a challenge to advancing the development and comparison of quantum compilers and hardware. This research aims to enhance the existing quantum circuit datasets by generating what we refer to as `realistic-looking' circuits by employing the Transformer machine learning architecture. For this purpose, we introduce KetGPT, a tool that generates synthetic circuits in OpenQASM language, whose structure is based on quantum circuits derived from existing quantum algorithms and follows the typical patterns of human-written algorithm-based code (e.g., order of gates and qubits). Our three-fold verification process, involving manual inspection and Qiskit framework execution, transformer-based classification, and structural analysis, demonstrates the efficacy of KetGPT in producing large amounts of additional circuits that closely align with algorithm-based structures. Beyond benchmarking, we envision KetGPT contributing substantially to AI-driven quantum compilers and systems.

Classical self-supervised networks suffer from convergence problems and reduced segmentation accuracy due to forceful termination. Qubits or bi-level quantum bits often describe quantum neural network models. In this article, a novel self-supervised shallow learning network model exploiting the sophisticated three-level qutrit-inspired quantum information system referred to as Quantum Fully Self-Supervised Neural Network (QFS-Net) is presented for automated segmentation of brain MR images. The QFS-Net model comprises a trinity of a layered structure of qutrits inter-connected through parametric Hadamard gates using an 8-connected second-order neighborhood-based topology. The non-linear transformation of the qutrit states allows the underlying quantum neural network model to encode the quantum states, thereby enabling a faster self-organized counter-propagation of these states between the layers without supervision. The suggested QFS-Net model is tailored and extensively validated on Cancer Imaging Archive (TCIA) data set collected from Nature repository and also compared with state of the art supervised (U-Net and URes-Net architectures) and the self-supervised QIS-Net model. Results shed promising segmented outcome in detecting tumors in terms of dice similarity and accuracy with minimum human intervention and computational resources.

In real-world scenarios, the application of reinforcement learning is significantly challenged by complex non-stationarity. Most existing methods attempt to model changes in the environment explicitly, often requiring impractical prior knowledge of environments. In this paper, we propose a new perspective, positing that non-stationarity can propagate and accumulate through complex causal relationships during state transitions, thereby compounding its sophistication and affecting policy learning. We believe that this challenge can be more effectively addressed by implicitly tracing the causal origin of non-stationarity. To this end, we introduce the Causal-Origin REPresentation (COREP) algorithm. COREP primarily employs a guided updating mechanism to learn a stable graph representation for the state, termed as causal-origin representation. By leveraging this representation, the learned policy exhibits impressive resilience to non-stationarity. We supplement our approach with a theoretical analysis grounded in the causal interpretation for non-stationary reinforcement learning, advocating for the validity of the causal-origin representation. Experimental results further demonstrate the superior performance of COREP over existing methods in tackling non-stationarity problems.

Policy gradient methods hold great potential for solving complex continuous control tasks. Still, their training efficiency can be improved by exploiting structure within the optimization problem. Recent work indicates that supervised learning can be accelerated by leveraging the fact that gradients lie in a low-dimensional and slowly-changing subspace. In this paper, we conduct a thorough evaluation of this phenomenon for two popular deep policy gradient methods on various simulated benchmark tasks. Our results demonstrate the existence of such gradient subspaces despite the continuously changing data distribution inherent to reinforcement learning. These findings reveal promising directions for future work on more efficient reinforcement learning, e.g., through improving parameter-space exploration or enabling second-order optimization.

A commonly used heuristic in RL is experience replay (e.g.~lin1993reinforcement, mnih2015human), in which a learner stores and re-uses past trajectories as if they were sampled online. In this work, we initiate a rigorous study of this heuristic in the setting of tabular Q-learning. We provide a convergence rate guarantee, and discuss how it compares to the convergence of Q-learning depending on important parameters such as the frequency and number of replay iterations. We also provide theoretical evidence showing when we might expect this heuristic to strictly improve performance, by introducing and analyzing a simple class of MDPs. Finally, we provide some experiments to support our theoretical findings.

Generative models are a class of machine learning models that aim to learn the underlying probability distribution of data. Unlike discriminative models, generative models focus on capturing the data's inherent structure, allowing them to generate new samples that resemble the original data. To fully exploit the potential of modeling probability distributions using quantum physics, a quantum-inspired generative model known as the Born machines have shown great advancements in learning classical and quantum data over matrix product state(MPS) framework. The Born machines support tractable log-likelihood, autoregressive and mask sampling, and have shown outstanding performance in various unsupervised learning tasks. However, much of the current research has been centered on improving the expressive power of MPS, predominantly embedding each token directly by a corresponding tensor index. In this study, we generalize the embedding method into trainable quantum measurement operators that can be simultaneously honed with MPS. Our study indicated that combined with trainable embedding, Born machines can exhibit better performance and learn deeper correlations from the dataset.

The process of revising (or constructing) a policy at execution time -- known as decision-time planning -- has been key to achieving superhuman performance in perfect-information games like chess and Go. A recent line of work has extended decision-time planning to imperfect-information games, leading to superhuman performance in poker. However, these methods involve solving subgames whose sizes grow quickly in the amount of non-public information, making them unhelpful when the amount of non-public information is large. Motivated by this issue, we introduce an alternative framework for decision-time planning that is not based on solving subgames, but rather on update equivalence. In this update-equivalence framework, decision-time planning algorithms replicate the updates of last-iterate algorithms, which need not rely on public information. This facilitates scalability to games with large amounts of non-public information. Using this framework, we derive a provably sound search algorithm for fully cooperative games based on mirror descent and a search algorithm for adversarial games based on magnetic mirror descent. We validate the performance of these algorithms in cooperative and adversarial domains, notably in Hanabi, the standard benchmark for search in fully cooperative imperfect-information games. Here, our mirror descent approach exceeds or matches the performance of public information-based search while using two orders of magnitude less search time. This is the first instance of a non-public-information-based algorithm outperforming public-information-based approaches in a domain they have historically dominated.

In many natural and engineered systems, unknown quantum channels act on a subsystem that cannot be directly controlled and measured, but is instead learned through a controllable subsystem that weakly interacts with it. We study quantum channel discrimination (QCD) under these restrictions, which we call hidden system QCD (HQCD). We find that sequential protocols achieve perfect discrimination and saturate the Heisenberg limit. In contrast, depth-1 parallel and multi-shot protocols cannot solve HQCD. This suggests that sequential protocols are superior in experimentally realistic situations.

A large amount of effort has recently been put into understanding the barren plateau phenomenon. In this perspective article, we face the increasingly loud elephant in the room and ask a question that has been hinted at by many but not explicitly addressed: Can the structure that allows one to avoid barren plateaus also be leveraged to efficiently simulate the loss classically? We present strong evidence that commonly used models with provable absence of barren plateaus are also classically simulable, provided that one can collect some classical data from quantum devices during an initial data acquisition phase. This follows from the observation that barren plateaus result from a curse of dimensionality, and that current approaches for solving them end up encoding the problem into some small, classically simulable, subspaces. Thus, while stressing quantum computers can be essential for collecting data, our analysis sheds serious doubt on the non-classicality of the information processing capabilities of parametrized quantum circuits for barren plateau-free landscapes. We end by discussing caveats in our arguments, the role of smart initializations and the possibility of provably superpolynomial, or simply practical, advantages from running parametrized quantum circuits.

We introduce fusion-based quantum computing (FBQC) - a model of universal quantum computation in which entangling measurements, called fusions, are performed on the qubits of small constant-sized entangled resource states. We introduce a stabilizer formalism for analyzing fault tolerance and computation in these schemes. This framework naturally captures the error structure that arises in certain physical systems for quantum computing, such as photonics. FBQC can offer significant architectural simplifications, enabling hardware made up of many identical modules, requiring an extremely low depth of operations on each physical qubit and reducing classical processing requirements. We present two pedagogical examples of fault-tolerant schemes constructed in this framework and numerically evaluate their threshold under a hardware agnostic fusion error model including both erasure and Pauli error. We also study an error model of linear optical quantum computing with probabilistic fusion and photon loss. In FBQC the non-determinism of fusion is directly dealt with by the quantum error correction protocol, along with other errors. We find that tailoring the fault-tolerance framework to the physical system allows the scheme to have a higher threshold than schemes reported in literature. We present a ballistic scheme which can tolerate a 10.4% probability of suffering photon loss in each fusion.

We investigate the potential of bio-inspired evolutionary algorithms for designing quantum circuits with specific goals, focusing on two particular tasks. The first one is motivated by the ideas of Artificial Life that are used to reproduce stochastic cellular automata with given rules. We test the robustness of quantum implementations of the cellular automata for different numbers of quantum gates The second task deals with the sampling of quantum circuits that generate highly entangled quantum states, which constitute an important resource for quantum computing. In particular, an evolutionary algorithm is employed to optimize circuits with respect to a fitness function defined with the Mayer-Wallach entanglement measure. We demonstrate that, by balancing the mutation rate between exploration and exploitation, we can find entangling quantum circuits for up to five qubits. We also discuss the trade-off between the number of gates in quantum circuits and the computational costs of finding the gate arrangements leading to a strongly entangled state. Our findings provide additional insight into the trade-off between the complexity of a circuit and its performance, which is an important factor in the design of quantum circuits.

Designing control policies whose performance level is guaranteed to remain above a given threshold in a span of environments is a critical feature for the adoption of reinforcement learning (RL) in real-world applications. The search for such robust policies is a notoriously difficult problem, related to the so-called dynamic model of transition function uncertainty, where the environment dynamics are allowed to change at each time step. But in practical cases, one is rather interested in robustness to a span of static transition models throughout interaction episodes. The static model is known to be harder to solve than the dynamic one, and seminal algorithms, such as robust value iteration, as well as most recent works on deep robust RL, build upon the dynamic model. In this work, we propose to revisit the static model. We suggest an analysis of why solving the static model under some mild hypotheses is a reasonable endeavor, based on an equivalence with the dynamic model, and formalize the general intuition that robust MDPs can be solved by tackling a series of static problems. We introduce a generic meta-algorithm called IWOCS, which incrementally identifies worst-case transition models so as to guide the search for a robust policy. Discussion on IWOCS sheds light on new ways to decouple policy optimization and adversarial transition functions and opens new perspectives for analysis. We derive a deep RL version of IWOCS and demonstrate it is competitive with state-of-the-art algorithms on classical benchmarks.

Reinforcement learning (RL) theory has largely focused on proving minimax sample complexity bounds. These require strategic exploration algorithms that use relatively limited function classes for representing the policy or value function. Our goal is to explain why deep RL algorithms often perform well in practice, despite using random exploration and much more expressive function classes like neural networks. Our work arrives at an explanation by showing that many stochastic MDPs can be solved by performing only a few steps of value iteration on the random policy's Q function and then acting greedily. When this is true, we find that it is possible to separate the exploration and learning components of RL, making it much easier to analyze. We introduce a new RL algorithm, SQIRL, that iteratively learns a near-optimal policy by exploring randomly to collect rollouts and then performing a limited number of steps of fitted-Q iteration over those rollouts. Any regression algorithm that satisfies basic in-distribution generalization properties can be used in SQIRL to efficiently solve common MDPs. This can explain why deep RL works, since it is empirically established that neural networks generalize well in-distribution. Furthermore, SQIRL explains why random exploration works well in practice. We leverage SQIRL to derive instance-dependent sample complexity bounds for RL that are exponential only in an "effective horizon" of lookahead and on the complexity of the class used for function approximation. Empirically, we also find that SQIRL performance strongly correlates with PPO and DQN performance in a variety of stochastic environments, supporting that our theoretical analysis is predictive of practical performance. Our code and data are available at https://github.com/cassidylaidlaw/effective-horizon.

Preference-based reinforcement learning (PbRL) aligns a robot behavior with human preferences via a reward function learned from binary feedback over agent behaviors. We show that dynamics-aware reward functions improve the sample efficiency of PbRL by an order of magnitude. In our experiments we iterate between: (1) learning a dynamics-aware state-action representation (z^{sa}) via a self-supervised temporal consistency task, and (2) bootstrapping the preference-based reward function from (z^{sa}), which results in faster policy learning and better final policy performance. For example, on quadruped-walk, walker-walk, and cheetah-run, with 50 preference labels we achieve the same performance as existing approaches with 500 preference labels, and we recover 83\% and 66\% of ground truth reward policy performance versus only 38\% and 21\%. The performance gains demonstrate the benefits of explicitly learning a dynamics-aware reward model. Repo: https://github.com/apple/ml-reed.

Recent advances in quantum information science enabled the development of quantum communication network prototypes and created an opportunity to study full-stack quantum network architectures. This work develops SeQUeNCe, a comprehensive, customizable quantum network simulator. Our simulator consists of five modules: Hardware models, Entanglement Management protocols, Resource Management, Network Management, and Application. This framework is suitable for simulation of quantum network prototypes that capture the breadth of current and future hardware technologies and protocols. We implement a comprehensive suite of network protocols and demonstrate the use of SeQUeNCe by simulating a photonic quantum network with nine routers equipped with quantum memories. The simulation capabilities are illustrated in three use cases. We show the dependence of quantum network throughput on several key hardware parameters and study the impact of classical control message latency. We also investigate quantum memory usage efficiency in routers and demonstrate that redistributing memory according to anticipated load increases network capacity by 69.1% and throughput by 6.8%. We design SeQUeNCe to enable comparisons of alternative quantum network technologies, experiment planning, and validation and to aid with new protocol design. We are releasing SeQUeNCe as an open source tool and aim to generate community interest in extending it.

We introduce Adjoint Sampling, a highly scalable and efficient algorithm for learning diffusion processes that sample from unnormalized densities, or energy functions. It is the first on-policy approach that allows significantly more gradient updates than the number of energy evaluations and model samples, allowing us to scale to much larger problem settings than previously explored by similar methods. Our framework is theoretically grounded in stochastic optimal control and shares the same theoretical guarantees as Adjoint Matching, being able to train without the need for corrective measures that push samples towards the target distribution. We show how to incorporate key symmetries, as well as periodic boundary conditions, for modeling molecules in both cartesian and torsional coordinates. We demonstrate the effectiveness of our approach through extensive experiments on classical energy functions, and further scale up to neural network-based energy models where we perform amortized conformer generation across many molecular systems. To encourage further research in developing highly scalable sampling methods, we plan to open source these challenging benchmarks, where successful methods can directly impact progress in computational chemistry.

Policy Optimization (PO) is one of the most popular methods in Reinforcement Learning (RL). Thus, theoretical guarantees for PO algorithms have become especially important to the RL community. In this paper, we study PO in adversarial MDPs with a challenge that arises in almost every real-world application -- delayed bandit feedback. We give the first near-optimal regret bounds for PO in tabular MDPs, and may even surpass state-of-the-art (which uses less efficient methods). Our novel Delay-Adapted PO (DAPO) is easy to implement and to generalize, allowing us to extend our algorithm to: (i) infinite state space under the assumption of linear Q-function, proving the first regret bounds for delayed feedback with function approximation. (ii) deep RL, demonstrating its effectiveness in experiments on MuJoCo domains.

Integral reinforcement learning (IntRL) demands the precise computation of the utility function's integral at its policy evaluation (PEV) stage. This is achieved through quadrature rules, which are weighted sums of utility functions evaluated from state samples obtained in discrete time. Our research reveals a critical yet underexplored phenomenon: the choice of the computational method -- in this case, the quadrature rule -- can significantly impact control performance. This impact is traced back to the fact that computational errors introduced in the PEV stage can affect the policy iteration's convergence behavior, which in turn affects the learned controller. To elucidate how computation impacts control, we draw a parallel between IntRL's policy iteration and Newton's method applied to the Hamilton-Jacobi-Bellman equation. In this light, computational error in PEV manifests as an extra error term in each iteration of Newton's method, with its upper bound proportional to the computational error. Further, we demonstrate that when the utility function resides in a reproducing kernel Hilbert space (RKHS), the optimal quadrature is achievable by employing Bayesian quadrature with the RKHS-inducing kernel function. We prove that the local convergence rates for IntRL using the trapezoidal rule and Bayesian quadrature with a Mat\'ern kernel to be O(N^{-2}) and O(N^{-b}), where N is the number of evenly-spaced samples and b is the Mat\'ern kernel's smoothness parameter. These theoretical findings are finally validated by two canonical control tasks.

Reinforcement learning is time-consuming for complex tasks due to the need for large amounts of training data. Recent advances in GPU-based simulation, such as Isaac Gym, have sped up data collection thousands of times on a commodity GPU. Most prior works used on-policy methods like PPO due to their simplicity and ease of scaling. Off-policy methods are more data efficient but challenging to scale, resulting in a longer wall-clock training time. This paper presents a Parallel Q-Learning (PQL) scheme that outperforms PPO in wall-clock time while maintaining superior sample efficiency of off-policy learning. PQL achieves this by parallelizing data collection, policy learning, and value learning. Different from prior works on distributed off-policy learning, such as Apex, our scheme is designed specifically for massively parallel GPU-based simulation and optimized to work on a single workstation. In experiments, we demonstrate that Q-learning can be scaled to tens of thousands of parallel environments and investigate important factors affecting learning speed. The code is available at https://github.com/Improbable-AI/pql.

Offline reinforcement learning (RL) can in principle synthesize more optimal behavior from a dataset consisting only of suboptimal trials. One way that this can happen is by "stitching" together the best parts of otherwise suboptimal trajectories that overlap on similar states, to create new behaviors where each individual state is in-distribution, but the overall returns are higher. However, in many interesting and complex applications, such as autonomous navigation and dialogue systems, the state is partially observed. Even worse, the state representation is unknown or not easy to define. In such cases, policies and value functions are often conditioned on observation histories instead of states. In these cases, it is not clear if the same kind of "stitching" is feasible at the level of observation histories, since two different trajectories would always have different histories, and thus "similar states" that might lead to effective stitching cannot be leveraged. Theoretically, we show that standard offline RL algorithms conditioned on observation histories suffer from poor sample complexity, in accordance with the above intuition. We then identify sufficient conditions under which offline RL can still be efficient -- intuitively, it needs to learn a compact representation of history comprising only features relevant for action selection. We introduce a bisimulation loss that captures the extent to which this happens, and propose that offline RL can explicitly optimize this loss to aid worst-case sample complexity. Empirically, we show that across a variety of tasks either our proposed loss improves performance, or the value of this loss is already minimized as a consequence of standard offline RL, indicating that it correlates well with good performance.

Quantum Implicit Neural Representations (QINRs) include components for learning and execution on gate-based quantum computers. While QINRs recently emerged as a promising new paradigm, many challenges concerning their architecture and ansatz design, the utility of quantum-mechanical properties, training efficiency and the interplay with classical modules remain. This paper advances the field by introducing a new type of QINR for 2D image and 3D geometric field learning, which we collectively refer to as Quantum Visual Field (QVF). QVF encodes classical data into quantum statevectors using neural amplitude encoding grounded in a learnable energy manifold, ensuring meaningful Hilbert space embeddings. Our ansatz follows a fully entangled design of learnable parametrised quantum circuits, with quantum (unitary) operations performed in the real Hilbert space, resulting in numerically stable training with fast convergence. QVF does not rely on classical post-processing -- in contrast to the previous QINR learning approach -- and directly employs projective measurement to extract learned signals encoded in the ansatz. Experiments on a quantum hardware simulator demonstrate that QVF outperforms the existing quantum approach and widely used classical foundational baselines in terms of visual representation accuracy across various metrics and model characteristics, such as learning of high-frequency details. We also show applications of QVF in 2D and 3D field completion and 3D shape interpolation, highlighting its practical potential.

Discrete diffusion models have recently gained significant attention due to their ability to process complex discrete structures for language modeling. However, fine-tuning these models with policy gradient methods, as is commonly done in Reinforcement Learning from Human Feedback (RLHF), remains a challenging task. We propose an efficient, broadly applicable, and theoretically justified policy gradient algorithm, called Score Entropy Policy Optimization (SEPO), for fine-tuning discrete diffusion models over non-differentiable rewards. Our numerical experiments across several discrete generative tasks demonstrate the scalability and efficiency of our method. Our code is available at https://github.com/ozekri/SEPO.

Reinforcement Learning from Human Feedback (RLHF) has emerged as a dominant approach for aligning LLM outputs with human preferences. Inspired by the success of RLHF, we study the performance of multiple algorithms that learn from feedback (Expert Iteration, Proximal Policy Optimization (PPO), Return-Conditioned RL) on improving LLM reasoning capabilities. We investigate both sparse and dense rewards provided to the LLM both heuristically and via a learned reward model. We additionally start from multiple model sizes and initializations both with and without supervised fine-tuning (SFT) data. Overall, we find all algorithms perform comparably, with Expert Iteration performing best in most cases. Surprisingly, we find the sample complexity of Expert Iteration is similar to that of PPO, requiring at most on the order of 10^6 samples to converge from a pretrained checkpoint. We investigate why this is the case, concluding that during RL training models fail to explore significantly beyond solutions already produced by SFT models. Additionally, we discuss a trade off between maj@1 and pass@96 metric performance during SFT training and how conversely RL training improves both simultaneously. We then conclude by discussing the implications of our findings for RLHF and the future role of RL in LLM fine-tuning.

Having explored an environment, intelligent agents should be able to transfer their knowledge to most downstream tasks within that environment. Referred to as "zero-shot learning," this ability remains elusive for general-purpose reinforcement learning algorithms. While recent works have attempted to produce zero-shot RL agents, they make assumptions about the nature of the tasks or the structure of the MDP. We present Proto Successor Measure: the basis set for all possible solutions of Reinforcement Learning in a dynamical system. We provably show that any possible policy can be represented using an affine combination of these policy independent basis functions. Given a reward function at test time, we simply need to find the right set of linear weights to combine these basis corresponding to the optimal policy. We derive a practical algorithm to learn these basis functions using only interaction data from the environment and show that our approach can produce the optimal policy at test time for any given reward function without additional environmental interactions. Project page: https://agarwalsiddhant10.github.io/projects/psm.html.

We introduce Goedel-Prover-V2, a series of open-source language models that set a new state-of-the-art in automated theorem proving. Built on the standard expert iteration and reinforcement learning pipeline, our approach incorporates three key innovations: (1) Scaffolded data synthesis: We generate synthetic tasks of increasing difficulty to train the model to master increasingly complex theorems; (2) Verifier-guided self-correction: We enable the model to iteratively revise its proofs by leveraging feedback from the Lean compiler; (3) Model averaging: We merge model checkpoints to mitigate the decrease in model output diversity in later stages of training. Our small model, Goedel-Prover-V2-8B, reaches 84.6% pass@32 on MiniF2F and outperforms DeepSeek-Prover-V2-671B under the same metric, despite being 80X smaller. Our flagship model, Goedel-Prover-V2-32B, achieves 88.1% on MiniF2F at pass@32 in standard mode and 90.4% in self-correction mode, outperforming prior SOTA by a large margin. Additionally, our flagship model solves 86 problems on PutnamBench at pass@184, securing the first place among open-source models on the leaderboard, surpassing DeepSeek-Prover-V2-671B's record of solving 47 problems by pass@1024 with a significantly smaller model size and compute budget. At the time of its release (July-August 2025), Goedel-Prover-V2 achieves the strongest overall performance among all open-source theorem provers. It also ranks among the top-performing models--including closed-source systems with publicly reported performance--under a constrained test-time compute budget. Our models, code, and data are released at https://github.com/Goedel-LM/Goedel-Prover-V2.

We present a general convergent class of reinforcement learning algorithms that is founded on two distinct principles: (1) mapping value estimates to a different space using arbitrary functions from a broad class, and (2) linearly decomposing the reward signal into multiple channels. The first principle enables incorporating specific properties into the value estimator that can enhance learning. The second principle, on the other hand, allows for the value function to be represented as a composition of multiple utility functions. This can be leveraged for various purposes, e.g. dealing with highly varying reward scales, incorporating a priori knowledge about the sources of reward, and ensemble learning. Combining the two principles yields a general blueprint for instantiating convergent algorithms by orchestrating diverse mapping functions over multiple reward channels. This blueprint generalizes and subsumes algorithms such as Q-Learning, Log Q-Learning, and Q-Decomposition. In addition, our convergence proof for this general class relaxes certain required assumptions in some of these algorithms. Based on our theory, we discuss several interesting configurations as special cases. Finally, to illustrate the potential of the design space that our theory opens up, we instantiate a particular algorithm and evaluate its performance on the Atari suite.

Quantum technology has the potential to revolutionize how we acquire and process experimental data to learn about the physical world. An experimental setup that transduces data from a physical system to a stable quantum memory, and processes that data using a quantum computer, could have significant advantages over conventional experiments in which the physical system is measured and the outcomes are processed using a classical computer. We prove that, in various tasks, quantum machines can learn from exponentially fewer experiments than those required in conventional experiments. The exponential advantage holds in predicting properties of physical systems, performing quantum principal component analysis on noisy states, and learning approximate models of physical dynamics. In some tasks, the quantum processing needed to achieve the exponential advantage can be modest; for example, one can simultaneously learn about many noncommuting observables by processing only two copies of the system. Conducting experiments with up to 40 superconducting qubits and 1300 quantum gates, we demonstrate that a substantial quantum advantage can be realized using today's relatively noisy quantum processors. Our results highlight how quantum technology can enable powerful new strategies to learn about nature.

Uniform random exploration in decision-making systems supports off-policy learning via supervision but incurs high regret, making it impractical for many applications. Conversely, non-uniform exploration offers better immediate performance but lacks support for off-policy learning. Recent research suggests that regression oracles can bridge this gap by combining non-uniform exploration with supervised learning. In this paper, we analyze these approaches within a real-world industrial context at Adyen, a large global payments processor characterized by batch logged delayed feedback, short-term memory, and dynamic action spaces under the Empirical Risk Minimization (ERM) framework. Our analysis reveals that while regression oracles significantly improve performance, they introduce challenges due to rigid algorithmic assumptions. Specifically, we observe that as a policy improves, subsequent generations may perform worse due to shifts in the reward distribution and increased class imbalance in the training data. This degradation occurs de spite improvements in other aspects of the training data, leading to decreased performance in successive policy iterations. We further explore the long-term impact of regression oracles, identifying a potential "oscillation effect." This effect arises when regression oracles influence probability estimates and the realizability of subsequent policy models, leading to fluctuations in performance across iterations. Our findings highlight the need for more adaptable algorithms that can leverage the benefits of regression oracles without introducing instability in policy performance over time.

The emergence of hybrid quantum-classical machine learning (HQML) models opens new horizons of computational intelligence but their fundamental complexity frequently leads to black box behavior that undermines transparency and reliability in their application. Although XAI for quantum systems still in its infancy, a major research gap is evident in robust global and local explainability approaches that are designed for HQML architectures that employ quantized feature encoding followed by classical learning. The gap is the focus of this work, which introduces QuXAI, an framework based upon Q-MEDLEY, an explainer for explaining feature importance in these hybrid systems. Our model entails the creation of HQML models incorporating quantum feature maps, the use of Q-MEDLEY, which combines feature based inferences, preserving the quantum transformation stage and visualizing the resulting attributions. Our result shows that Q-MEDLEY delineates influential classical aspects in HQML models, as well as separates their noise, and competes well against established XAI techniques in classical validation settings. Ablation studies more significantly expose the virtues of the composite structure used in Q-MEDLEY. The implications of this work are critically important, as it provides a route to improve the interpretability and reliability of HQML models, thus promoting greater confidence and being able to engage in safer and more responsible use of quantum-enhanced AI technology.

In light of the burgeoning success of reinforcement learning (RL) in diverse real-world applications, considerable focus has been directed towards ensuring RL policies are robust to adversarial attacks during test time. Current approaches largely revolve around solving a minimax problem to prepare for potential worst-case scenarios. While effective against strong attacks, these methods often compromise performance in the absence of attacks or the presence of only weak attacks. To address this, we study policy robustness under the well-accepted state-adversarial attack model, extending our focus beyond only worst-case attacks. We first formalize this task at test time as a regret minimization problem and establish its intrinsic hardness in achieving sublinear regret when the baseline policy is from a general continuous policy class, Pi. This finding prompts us to refine the baseline policy class Pi prior to test time, aiming for efficient adaptation within a finite policy class Pi, which can resort to an adversarial bandit subroutine. In light of the importance of a small, finite Pi, we propose a novel training-time algorithm to iteratively discover non-dominated policies, forming a near-optimal and minimal Pi, thereby ensuring both robustness and test-time efficiency. Empirical validation on the Mujoco corroborates the superiority of our approach in terms of natural and robust performance, as well as adaptability to various attack scenarios.

On-policy reinforcement learning (RL) has become a popular framework for solving sequential decision problems due to its computational efficiency and theoretical simplicity. Some on-policy methods guarantee every policy update is constrained to a trust region relative to the prior policy to ensure training stability. These methods often require computationally intensive non-linear optimization or require a particular form of action distribution. In this work, we show that applying KL penalization alone is nearly sufficient to enforce such trust regions. Then, we show that introducing a "fixup" phase is sufficient to guarantee a trust region is enforced on every policy update while adding fewer than 5% additional gradient steps in practice. The resulting algorithm, which we call FixPO, is able to train a variety of policy architectures and action spaces, is easy to implement, and produces results competitive with other trust region methods.

In reinforcement learning (RL), function approximation errors are known to easily lead to the Q-value overestimations, thus greatly reducing policy performance. This paper presents a distributional soft actor-critic (DSAC) algorithm, which is an off-policy RL method for continuous control setting, to improve the policy performance by mitigating Q-value overestimations. We first discover in theory that learning a distribution function of state-action returns can effectively mitigate Q-value overestimations because it is capable of adaptively adjusting the update stepsize of the Q-value function. Then, a distributional soft policy iteration (DSPI) framework is developed by embedding the return distribution function into maximum entropy RL. Finally, we present a deep off-policy actor-critic variant of DSPI, called DSAC, which directly learns a continuous return distribution by keeping the variance of the state-action returns within a reasonable range to address exploding and vanishing gradient problems. We evaluate DSAC on the suite of MuJoCo continuous control tasks, achieving the state-of-the-art performance.

Policy optimization methods are powerful algorithms in Reinforcement Learning (RL) for their flexibility to deal with policy parameterization and ability to handle model misspecification. However, these methods usually suffer from slow convergence rates and poor sample complexity. Hence it is important to design provably sample efficient algorithms for policy optimization. Yet, recent advances for this problems have only been successful in tabular and linear setting, whose benign structures cannot be generalized to non-linearly parameterized policies. In this paper, we address this problem by leveraging recent advances in value-based algorithms, including bounded eluder-dimension and online sensitivity sampling, to design a low-switching sample-efficient policy optimization algorithm, LPO, with general non-linear function approximation. We show that, our algorithm obtains an varepsilon-optimal policy with only O(text{poly(d)}{varepsilon^3}) samples, where varepsilon is the suboptimality gap and d is a complexity measure of the function class approximating the policy. This drastically improves previously best-known sample bound for policy optimization algorithms, O(text{poly(d)}{varepsilon^8}). Moreover, we empirically test our theory with deep neural nets to show the benefits of the theoretical inspiration.

Behavior constrained policy optimization has been demonstrated to be a successful paradigm for tackling Offline Reinforcement Learning. By exploiting historical transitions, a policy is trained to maximize a learned value function while constrained by the behavior policy to avoid a significant distributional shift. In this paper, we propose our closed-form policy improvement operators. We make a novel observation that the behavior constraint naturally motivates the use of first-order Taylor approximation, leading to a linear approximation of the policy objective. Additionally, as practical datasets are usually collected by heterogeneous policies, we model the behavior policies as a Gaussian Mixture and overcome the induced optimization difficulties by leveraging the LogSumExp's lower bound and Jensen's Inequality, giving rise to a closed-form policy improvement operator. We instantiate offline RL algorithms with our novel policy improvement operators and empirically demonstrate their effectiveness over state-of-the-art algorithms on the standard D4RL benchmark. Our code is available at https://cfpi-icml23.github.io/.

We present Self-Play Preference Optimization (SPO), an algorithm for reinforcement learning from human feedback. Our approach is minimalist in that it does not require training a reward model nor unstable adversarial training and is therefore rather simple to implement. Our approach is maximalist in that it provably handles non-Markovian, intransitive, and stochastic preferences while being robust to the compounding errors that plague offline approaches to sequential prediction. To achieve the preceding qualities, we build upon the concept of a Minimax Winner (MW), a notion of preference aggregation from the social choice theory literature that frames learning from preferences as a zero-sum game between two policies. By leveraging the symmetry of this game, we prove that rather than using the traditional technique of dueling two policies to compute the MW, we can simply have a single agent play against itself while maintaining strong convergence guarantees. Practically, this corresponds to sampling multiple trajectories from a policy, asking a rater or preference model to compare them, and then using the proportion of wins as the reward for a particular trajectory. We demonstrate that on a suite of continuous control tasks, we are able to learn significantly more efficiently than reward-model based approaches while maintaining robustness to the intransitive and stochastic preferences that frequently occur in practice when aggregating human judgments.

Quantum walks, the quantum mechanical counterpart of classical random walks, is an advanced tool for building quantum algorithms that has been recently shown to constitute a universal model of quantum computation. Quantum walks is now a solid field of research of quantum computation full of exciting open problems for physicists, computer scientists, mathematicians and engineers. In this paper we review theoretical advances on the foundations of both discrete- and continuous-time quantum walks, together with the role that randomness plays in quantum walks, the connections between the mathematical models of coined discrete quantum walks and continuous quantum walks, the quantumness of quantum walks, a summary of papers published on discrete quantum walks and entanglement as well as a succinct review of experimental proposals and realizations of discrete-time quantum walks. Furthermore, we have reviewed several algorithms based on both discrete- and continuous-time quantum walks as well as a most important result: the computational universality of both continuous- and discrete- time quantum walks.

We study reinforcement learning with linear function approximation and adversarially changing cost functions, a setup that has mostly been considered under simplifying assumptions such as full information feedback or exploratory conditions.We present a computationally efficient policy optimization algorithm for the challenging general setting of unknown dynamics and bandit feedback, featuring a combination of mirror-descent and least squares policy evaluation in an auxiliary MDP used to compute exploration bonuses.Our algorithm obtains an widetilde O(K^{6/7}) regret bound, improving significantly over previous state-of-the-art of widetilde O (K^{14/15}) in this setting. In addition, we present a version of the same algorithm under the assumption a simulator of the environment is available to the learner (but otherwise no exploratory assumptions are made), and prove it obtains state-of-the-art regret of widetilde O (K^{2/3}).

As Reinforcement Learning (RL) agents are increasingly employed in diverse decision-making problems using reward preferences, it becomes important to ensure that policies learned by these frameworks in mapping observations to a probability distribution of the possible actions are explainable. However, there is little to no work in the systematic understanding of these complex policies in a contrastive manner, i.e., what minimal changes to the policy would improve/worsen its performance to a desired level. In this work, we present COUNTERPOL, the first framework to analyze RL policies using counterfactual explanations in the form of minimal changes to the policy that lead to the desired outcome. We do so by incorporating counterfactuals in supervised learning in RL with the target outcome regulated using desired return. We establish a theoretical connection between Counterpol and widely used trust region-based policy optimization methods in RL. Extensive empirical analysis shows the efficacy of COUNTERPOL in generating explanations for (un)learning skills while keeping close to the original policy. Our results on five different RL environments with diverse state and action spaces demonstrate the utility of counterfactual explanations, paving the way for new frontiers in designing and developing counterfactual policies.

Quantum networks are complex systems formed by the interaction among quantum processors through quantum channels. Analogous to classical computer networks, quantum networks allow for the distribution of quantum computation among quantum computers. In this work, we describe a quantum walk protocol to perform distributed quantum computing in a quantum network. The protocol uses a quantum walk as a quantum control signal to perform distributed quantum operations. We consider a generalization of the discrete-time coined quantum walk model that accounts for the interaction between a quantum walker system in the network graph with quantum registers inside the network nodes. The protocol logically captures distributed quantum computing, abstracting hardware implementation and the transmission of quantum information through channels. Control signal transmission is mapped to the propagation of the walker system across the network, while interactions between the control layer and the quantum registers are embedded into the application of coin operators. We demonstrate how to use the quantum walker system to perform a distributed CNOT operation, which shows the universality of the protocol for distributed quantum computing. Furthermore, we apply the protocol to the task of entanglement distribution in a quantum network.

Quantum communication can enhance internet technology by enabling novel applications that are provably impossible classically. The successful execution of such applications relies on the generation of quantum entanglement between different users of the network which meets stringent performance requirements. Alongside traditional metrics such as throughput and jitter, one must ensure the generated entanglement is of sufficiently high quality. Meeting such performance requirements demands a careful orchestration of many devices in the network, giving rise to a fundamentally new scheduling problem. Furthermore, technological limitations of near-term quantum devices impose significant constraints on scheduling methods hoping to meet performance requirements. In this work, we propose the first end-to-end design of a centralized quantum network with multiple users that orchestrates the delivery of entanglement which meets quality-of-service (QoS) requirements of applications. We achieve this by using a centrally constructed schedule that manages usage of devices and ensures the coordinated execution of different quantum operations throughout the network. We use periodic task scheduling and resource-constrained project scheduling techniques, including a novel heuristic, to construct the schedules. Our simulations of four small networks using hardware-validated network parameters, and of a real-world fiber topology using futuristic parameters, illustrate trade-offs between traditional and quantum performance metrics.

We introduce the framework of model space into quantum imaginary time evolution (QITE) to enable stable estimation of ground and excited states using a quantum computer. Model-space QITE (MSQITE) propagates a model space to the exact one by retaining its orthogonality, and hence is able to describe multiple states simultaneously. The quantum Lanczos (QLanczos) algorithm is extended to MSQITE to accelerate the convergence. The present scheme is found to outperform both the standard QLanczos and the recently proposed folded-spectrum QITE in simulating excited states. Moreover, we demonstrate that spin contamination can be effectively removed by shifting the imaginary time propagator, and thus excited states with a particular spin quantum number are efficiently captured without falling into the different spin states that have lower energies. We also investigate how different levels of the unitary approximation employed in MSQITE can affect the results. The effectiveness of the algorithm over QITE is demonstrated by noise simulations for the H4 model system.

Robust Markov decision processes (RMDPs) provide a promising framework for computing reliable policies in the face of model errors. Many successful reinforcement learning algorithms build on variations of policy-gradient methods, but adapting these methods to RMDPs has been challenging. As a result, the applicability of RMDPs to large, practical domains remains limited. This paper proposes a new Double-Loop Robust Policy Gradient (DRPG), the first generic policy gradient method for RMDPs. In contrast with prior robust policy gradient algorithms, DRPG monotonically reduces approximation errors to guarantee convergence to a globally optimal policy in tabular RMDPs. We introduce a novel parametric transition kernel and solve the inner loop robust policy via a gradient-based method. Finally, our numerical results demonstrate the utility of our new algorithm and confirm its global convergence properties.

Real-world reinforcement learning (RL) is often severely limited since typical RL algorithms heavily rely on the reset mechanism to sample proper initial states. In practice, the reset mechanism is expensive to implement due to the need for human intervention or heavily engineered environments. To make learning more practical, we propose a generic no-regret reduction to systematically design reset-free RL algorithms. Our reduction turns reset-free RL into a two-player game. We show that achieving sublinear regret in this two-player game would imply learning a policy that has both sublinear performance regret and sublinear total number of resets in the original RL problem. This means that the agent eventually learns to perform optimally and avoid resets. By this reduction, we design an instantiation for linear Markov decision processes, which is the first provably correct reset-free RL algorithm to our knowledge.