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Large language models (LLMs) show promise for molecular optimization, but aligning them with selective and competing drug-design constraints remains challenging. We propose C-Moral, a reinforcement learning post-training framework for…

机器学习 · 计算机科学 2026-05-28 Rui Gao , Youngseung Jeon , Swastik Roy , Morteza Ziyadi , Xiang 'Anthony' Chen

Visual reasoning is crucial for understanding complex multimodal data and advancing Artificial General Intelligence. Existing methods enhance the reasoning capability of Multimodal Large Language Models (MLLMs) through Reinforcement…

计算机视觉与模式识别 · 计算机科学 2026-05-07 Chaoyang Wang , Zeyu Zhang , Meng Meng , Xu Zhou , Haiyun Jiang

Recent progress in deep reinforcement learning (DRL) can be largely attributed to the use of neural networks. However, this black-box approach fails to explain the learned policy in a human understandable way. To address this challenge and…

人工智能 · 计算机科学 2021-03-17 Zhihao Ma , Yuzheng Zhuang , Paul Weng , Hankz Hankui Zhuo , Dong Li , Wulong Liu , Jianye Hao

Efficiently solving multi-objective optimization problems for simulation optimization of important scientific and engineering applications such as materials design is becoming an increasingly important research topic. This is due largely to…

人工智能 · 计算机科学 2023-06-27 Eric Hans Lee , Bolong Cheng , Michael McCourt

Deep reinforcement learning (DRL) has achieved significant breakthroughs in various tasks. However, most DRL algorithms suffer a problem of generalizing the learned policy which makes the learning performance largely affected even by minor…

机器学习 · 计算机科学 2019-07-11 Zhengyao Jiang , Shan Luo

Deep reinforcement learning (RL) has shown remarkable success in complex domains, however, the inherent black box nature of deep neural network policies raises significant challenges in understanding and trusting the decision-making…

机器学习 · 计算机科学 2025-01-20 Peilang Li , Umer Siddique , Yongcan Cao

Due to recent breakthroughs, reinforcement learning (RL) has demonstrated impressive performance in challenging sequential decision-making problems. However, an open question is how to make RL cope with partial observability which is…

机器学习 · 计算机科学 2021-04-23 Stephan Weigand , Pascal Klink , Jan Peters , Joni Pajarinen

Advances in the field of inverse reinforcement learning (IRL) have led to sophisticated inference frameworks that relax the original modeling assumption of observing an agent behavior that reflects only a single intention. Instead of…

机器学习 · 计算机科学 2018-12-03 Adrian Šošić , Elmar Rueckert , Jan Peters , Abdelhak M. Zoubir , Heinz Koeppl

Reinforcement learning has been applied in operation research and has shown promise in solving large combinatorial optimization problems. However, existing works focus on developing neural network architectures for certain problems. These…

最优化与控制 · 数学 2023-03-24 Ching Pui Wan , Tung Li , Jason Min Wang

While reinforcement learning (RL) methods that learn an internal model of the environment have the potential to be more sample efficient than their model-free counterparts, learning to model raw observations from high dimensional sensors…

机器学习 · 计算机科学 2023-06-27 Raj Ghugare , Homanga Bharadhwaj , Benjamin Eysenbach , Sergey Levine , Ruslan Salakhutdinov

Multi-agent reinforcement learning (MARL) extends (single-agent) reinforcement learning (RL) by introducing additional agents and (potentially) partial observability of the environment. Consequently, algorithms for solving MARL problems…

多智能体系统 · 计算机科学 2019-09-12 Yilun Zhou , Derrik E. Asher , Nicholas R. Waytowich , Julie A. Shah

Creating meaningful interpretations for black-box machine learning models involves balancing two often conflicting objectives: accuracy and explainability. Exploring the trade-off between these objectives is essential for developing…

机器学习 · 计算机科学 2025-08-22 Aniruddha Joshi , Supratik Chakraborty , S Akshay , Shetal Shah , Hazem Torfah , Sanjit Seshia

Recent advances in multi-agent reinforcement learning, particularly Policy-Space Response Oracles (PSRO), have enabled the computation of approximate game-theoretic equilibria in increasingly complex domains. However, these methods rely on…

计算机科学与博弈论 · 计算机科学 2026-03-12 Daniel Hennes , Zun Li , John Schultz , Marc Lanctot

Causal reasoning is increasingly used in Reinforcement Learning (RL) to improve the learning process in several dimensions: efficacy of learned policies, efficiency of convergence, generalisation capabilities, safety and interpretability of…

机器学习 · 计算机科学 2025-03-25 Giovanni Briglia , Stefano Mariani , Franco Zambonelli

In the field of high-performance computing (HPC), there has been recent exploration into the use of deep reinforcement learning for cluster scheduling (DRL scheduling), which has demonstrated promising outcomes. However, a significant…

机器学习 · 计算机科学 2024-03-26 Boyang Li , Zhiling Lan , Michael E. Papka

While achieving tremendous success in various fields, existing multi-agent reinforcement learning (MARL) with a black-box neural network makes decisions in an opaque manner that hinders humans from understanding the learned knowledge and…

机器学习 · 计算机科学 2025-03-05 Zichuan Liu , Yuanyang Zhu , Zhi Wang , Yang Gao , Chunlin Chen

Reinforcement learning (RL) solves sequential decision-making problems via a trial-and-error process interacting with the environment. While RL achieves outstanding success in playing complex video games that allow huge trial-and-error,…

机器学习 · 计算机科学 2022-06-22 Fan-Ming Luo , Tian Xu , Hang Lai , Xiong-Hui Chen , Weinan Zhang , Yang Yu

Offline reinforcement learning (RL) seeks to learn optimal policies from static datasets without interacting with the environment. A common challenge is handling multi-modal action distributions, where multiple behaviours are represented in…

机器学习 · 计算机科学 2025-03-20 Mianchu Wang , Yue Jin , Giovanni Montana

This paper presents a novel approach to Multi-Agent Reinforcement Learning (MARL) that combines cooperative task decomposition with the learning of reward machines (RMs) encoding the structure of the sub-tasks. The proposed method helps…

人工智能 · 计算机科学 2025-02-17 Leo Ardon , Daniel Furelos-Blanco , Alessandra Russo

Interpretability is crucial for ensuring RL systems align with human values. However, it remains challenging to achieve in complex decision making domains. Existing methods frequently attempt interpretability at the level of fundamental…

机器学习 · 计算机科学 2025-06-03 Anna Soligo , Pietro Ferraro , David Boyle