2023-12-06 更新
A Survey of Temporal Credit Assignment in Deep Reinforcement Learning
Authors:Eduardo Pignatelli, Johan Ferret, Matthieu Geist, Thomas Mesnard, Hado van Hasselt, Laura Toni
The Credit Assignment Problem (CAP) refers to the longstanding challenge of Reinforcement Learning (RL) agents to associate actions with their long-term consequences. Solving the CAP is a crucial step towards the successful deployment of RL in the real world since most decision problems provide feedback that is noisy, delayed, and with little or no information about the causes. These conditions make it hard to distinguish serendipitous outcomes from those caused by informed decision-making. However, the mathematical nature of credit and the CAP remains poorly understood and defined. In this survey, we review the state of the art of Temporal Credit Assignment (CA) in deep RL. We propose a unifying formalism for credit that enables equitable comparisons of state of the art algorithms and improves our understanding of the trade-offs between the various methods. We cast the CAP as the problem of learning the influence of an action over an outcome from a finite amount of experience. We discuss the challenges posed by delayed effects, transpositions, and a lack of action influence, and analyse how existing methods aim to address them. Finally, we survey the protocols to evaluate a credit assignment method, and suggest ways to diagnoses the sources of struggle for different credit assignment methods. Overall, this survey provides an overview of the field for new-entry practitioners and researchers, it offers a coherent perspective for scholars looking to expedite the starting stages of a new study on the CAP, and it suggests potential directions for future research
PDF 56 pages, 2 figures, 4 tables
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Harnessing Discrete Representations For Continual Reinforcement Learning
Authors:Edan Meyer, Adam White, Marlos C. Machado
Reinforcement learning (RL) agents make decisions using nothing but observations from the environment, and consequently, heavily rely on the representations of those observations. Though some recent breakthroughs have used vector-based categorical representations of observations, often referred to as discrete representations, there is little work explicitly assessing the significance of such a choice. In this work, we provide a thorough empirical investigation of the advantages of representing observations as vectors of categorical values within the context of reinforcement learning. We perform evaluations on world-model learning, model-free RL, and ultimately continual RL problems, where the benefits best align with the needs of the problem setting. We find that, when compared to traditional continuous representations, world models learned over discrete representations accurately model more of the world with less capacity, and that agents trained with discrete representations learn better policies with less data. In the context of continual RL, these benefits translate into faster adapting agents. Additionally, our analysis suggests that the observed performance improvements can be attributed to the information contained within the latent vectors and potentially the encoding of the discrete representation itself.
PDF 23 pages, 16 figures, submitted to ICLR 2024
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Distributed Reinforcement Learning for Molecular Design: Antioxidant case
Authors:Huanyi Qin, Denis Akhiyarov, Sophie Loehle, Kenneth Chiu, Mauricio Araya-Polo
Deep reinforcement learning has successfully been applied for molecular discovery as shown by the Molecule Deep Q-network (MolDQN) algorithm. This algorithm has challenges when applied to optimizing new molecules: training such a model is limited in terms of scalability to larger datasets and the trained model cannot be generalized to different molecules in the same dataset. In this paper, a distributed reinforcement learning algorithm for antioxidants, called DA-MolDQN is proposed to address these problems. State-of-the-art bond dissociation energy (BDE) and ionization potential (IP) predictors are integrated into DA-MolDQN, which are critical chemical properties while optimizing antioxidants. Training time is reduced by algorithmic improvements for molecular modifications. The algorithm is distributed, scalable for up to 512 molecules, and generalizes the model to a diverse set of molecules. The proposed models are trained with a proprietary antioxidant dataset. The results have been reproduced with both proprietary and public datasets. The proposed molecules have been validated with DFT simulations and a subset of them confirmed in public “unseen” datasets. In summary, DA-MolDQN is up to 100x faster than previous algorithms and can discover new optimized molecules from proprietary and public antioxidants.
PDF
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BenchMARL: Benchmarking Multi-Agent Reinforcement Learning
Authors:Matteo Bettini, Amanda Prorok, Vincent Moens
The field of Multi-Agent Reinforcement Learning (MARL) is currently facing a reproducibility crisis. While solutions for standardized reporting have been proposed to address the issue, we still lack a benchmarking tool that enables standardization and reproducibility, while leveraging cutting-edge Reinforcement Learning (RL) implementations. In this paper, we introduce BenchMARL, the first MARL training library created to enable standardized benchmarking across different algorithms, models, and environments. BenchMARL uses TorchRL as its backend, granting it high performance and maintained state-of-the-art implementations while addressing the broad community of MARL PyTorch users. Its design enables systematic configuration and reporting, thus allowing users to create and run complex benchmarks from simple one-line inputs. BenchMARL is open-sourced on GitHub: https://github.com/facebookresearch/BenchMARL
PDF
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AdsorbRL: Deep Multi-Objective Reinforcement Learning for Inverse Catalysts Design
Authors:Romain Lacombe, Lucas Hendren, Khalid El-Awady
A central challenge of the clean energy transition is the development of catalysts for low-emissions technologies. Recent advances in Machine Learning for quantum chemistry drastically accelerate the computation of catalytic activity descriptors such as adsorption energies. Here we introduce AdsorbRL, a Deep Reinforcement Learning agent aiming to identify potential catalysts given a multi-objective binding energy target, trained using offline learning on the Open Catalyst 2020 and Materials Project data sets. We experiment with Deep Q-Network agents to traverse the space of all ~160,000 possible unary, binary and ternary compounds of 55 chemical elements, with very sparse rewards based on adsorption energy known for only between 2,000 and 3,000 catalysts per adsorbate. To constrain the actions space, we introduce Random Edge Traversal and train a single-objective DQN agent on the known states subgraph, which we find strengthens target binding energy by an average of 4.1 eV. We extend this approach to multi-objective, goal-conditioned learning, and train a DQN agent to identify materials with the highest (respectively lowest) adsorption energies for multiple simultaneous target adsorbates. We experiment with Objective Sub-Sampling, a novel training scheme aimed at encouraging exploration in the multi-objective setup, and demonstrate simultaneous adsorption energy improvement across all target adsorbates, by an average of 0.8 eV. Overall, our results suggest strong potential for Deep Reinforcement Learning applied to the inverse catalysts design problem.
PDF 37th Conference on Neural Information Processing Systems (NeurIPS 2023), AI for Accelerated Materials Design Workshop
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DanZero+: Dominating the GuanDan Game through Reinforcement Learning
Authors:Youpeng Zhao, Yudong Lu, Jian Zhao, Wengang Zhou, Houqiang Li
The utilization of artificial intelligence (AI) in card games has been a well-explored subject within AI research for an extensive period. Recent advancements have propelled AI programs to showcase expertise in intricate card games such as Mahjong, DouDizhu, and Texas Hold’em. In this work, we aim to develop an AI program for an exceptionally complex and popular card game called GuanDan. This game involves four players engaging in both competitive and cooperative play throughout a long process to upgrade their level, posing great challenges for AI due to its expansive state and action space, long episode length, and complex rules. Employing reinforcement learning techniques, specifically Deep Monte Carlo (DMC), and a distributed training framework, we first put forward an AI program named DanZero for this game. Evaluation against baseline AI programs based on heuristic rules highlights the outstanding performance of our bot. Besides, in order to further enhance the AI’s capabilities, we apply policy-based reinforcement learning algorithm to GuanDan. To address the challenges arising from the huge action space, which will significantly impact the performance of policy-based algorithms, we adopt the pre-trained model to facilitate the training process and the achieved AI program manages to achieve a superior performance.
PDF arXiv admin note: text overlap with arXiv:2210.17087
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LExCI: A Framework for Reinforcement Learning with Embedded Systems
Authors:Kevin Badalian, Lucas Koch, Tobias Brinkmann, Mario Picerno, Marius Wegener, Sung-Yong Lee, Jakob Andert
Advances in artificial intelligence (AI) have led to its application in many areas of everyday life. In the context of control engineering, reinforcement learning (RL) represents a particularly promising approach as it is centred around the idea of allowing an agent to freely interact with its environment to find an optimal strategy. One of the challenges professionals face when training and deploying RL agents is that the latter often have to run on dedicated embedded devices. This could be to integrate them into an existing toolchain or to satisfy certain performance criteria like real-time constraints. Conventional RL libraries, however, cannot be easily utilised in conjunction with that kind of hardware. In this paper, we present a framework named LExCI, the Learning and Experiencing Cycle Interface, which bridges this gap and provides end-users with a free and open-source tool for training agents on embedded systems using the open-source library RLlib. Its operability is demonstrated with two state-of-the-art RL-algorithms and a rapid control prototyping system.
PDF The code, models, and data used for this work are available in a separate branch of LExCI’s GitHub repository (https://github.com/mechatronics-RWTH/lexci-2/tree/lexci_paper). This paper has been submitted to Applied Intelligence (https://link.springer.com/journal/10489)
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