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Recently, the impressive performance of large language models (LLMs) on a wide range of tasks has attracted an increasing number of attempts to apply LLMs in drug discovery. However, molecule optimization, a critical task in the drug…

Quantitative Methods · Quantitative Biology 2024-01-22 Geyan Ye , Xibao Cai , Houtim Lai , Xing Wang , Junhong Huang , Longyue Wang , Wei Liu , Xiangxiang Zeng

In critical care settings such as the Intensive Care Unit, clinicians face the complex challenge of balancing conflicting objectives, primarily maximizing patient survival while minimizing resource utilization (e.g., length of stay).…

Machine Learning · Computer Science 2025-12-10 Aryaman Bansal , Divya Sharma

Many real-world problems (e.g., resource management, autonomous driving, drug discovery) require optimizing multiple, conflicting objectives. Multi-objective reinforcement learning (MORL) extends classic reinforcement learning to handle…

Machine Learning · Computer Science 2025-11-24 Zuzanna Osika , Roxana Rădulescu , Jazmin Zatarain Salazar , Frans Oliehoek , Pradeep K. Murukannaiah

Large language models (LLMs) often solve challenging math exercises yet fail to apply the concept right when the problem requires genuine understanding. Popular Reinforcement Learning with Verifiable Rewards (RLVR) pipelines reinforce final…

Artificial Intelligence · Computer Science 2026-05-08 Zijun Gao , Zhikun Xu , Xiao Ye , Ben Zhou

Multi-objective reinforcement learning (MORL) is used to solve problems involving multiple objectives. An MORL agent must make decisions based on the diverse signals provided by distinct reward functions. Training an MORL agent yields a set…

Artificial Intelligence · Computer Science 2024-11-08 Zuzanna Osika , Jazmin Zatarain-Salazar , Frans A. Oliehoek , Pradeep K. Murukannaiah

Reinforcement learning with multiple, potentially conflicting objectives is pervasive in real-world applications, while this problem remains theoretically under-explored. This paper tackles the multi-objective reinforcement learning (MORL)…

Machine Learning · Computer Science 2024-05-10 Tianchen Zhou , FNU Hairi , Haibo Yang , Jia Liu , Tian Tong , Fan Yang , Michinari Momma , Yan Gao

Multi-Objective Reinforcement Learning (MORL) is a generalization of traditional Reinforcement Learning (RL) that aims to optimize multiple, often conflicting objectives simultaneously rather than focusing on a single reward. This approach…

Machine Learning · Computer Science 2025-08-15 Davide Guidobene , Lorenzo Benedetti , Diego Arapovic

Large Language Models (LLMs) have demonstrated strong potential in complex reasoning, yet their progress remains fundamentally constrained by reliance on massive high-quality human-curated tasks and labels, either through supervised…

Computation and Language · Computer Science 2026-05-26 Ran Li , Zeyuan Liu , Yinghao Chen , Bingxiang He , Jiarui Yuan , Zixuan Fu , Weize Chen , Jinyi Hu , Chen Qian , Zhiyuan Liu , Maosong Sun

Multi-objective discrete optimization problems, such as molecular design, pose significant challenges due to their vast and unstructured combinatorial spaces. Traditional evolutionary algorithms often get trapped in local optima, while…

Machine Learning · Computer Science 2025-10-09 Nian Ran , Zhongzheng Li , Yue Wang , Qingsong Ran , Xiaoyuan Zhang , Shikun Feng , Richard Allmendinger , Xiaoguang Zhao

Cooperative multi-agent reinforcement learning (c-MARL) is widely applied in safety-critical scenarios, thus the analysis of robustness for c-MARL models is profoundly important. However, robustness certification for c-MARLs has not yet…

Machine Learning · Computer Science 2022-12-23 Ronghui Mu , Wenjie Ruan , Leandro Soriano Marcolino , Gaojie Jin , Qiang Ni

Recent advances in Multimodal Large Language Models (MLLMs) have enhanced their versatility as they integrate a growing number of modalities. Considering the heavy cost of training MLLMs, it is efficient to reuse the existing ones and…

Machine Learning · Computer Science 2025-10-23 Dingkun Zhang , Shuhan Qi , Xinyu Xiao , Kehai Chen , Xuan Wang

Despite the evolution of Convolutional Neural Networks (CNNs), their performance is surprisingly dependent on the choice of hyperparameters. However, it remains challenging to efficiently explore large hyperparameter search space due to the…

Computer Vision and Pattern Recognition · Computer Science 2022-09-27 HyunJae Lee , Gihyeon Lee , Junhwan Kim , Sungjun Cho , Dohyun Kim , Donggeun Yoo

Many sequential decision-making tasks involve optimizing multiple conflicting objectives, requiring policies that adapt to different user preferences. In multi-objective reinforcement learning (MORL), one widely studied approach} addresses…

Machine Learning · Computer Science 2026-04-28 Ying-Tu Chen , Wei Hung , Bing-Shu Wu , Zhang-Wei Hong , Ping-Chun Hsieh

Large language models (LLMs) trained with reinforcement objectives often achieve superficially correct answers via shortcut strategies, pairing correct outputs with spurious or unfaithful reasoning and degrading under small causal…

Machine Learning · Computer Science 2025-09-30 Xiangqi Wang , Yue Huang , Yujun Zhou , Xiaonan Luo , Kehan Guo , Xiangliang Zhang

Sparse reward environments pose significant challenges in reinforcement learning, especially within multi-agent systems (MAS) where feedback is delayed and shared across agents, leading to suboptimal learning. We propose Collaborative…

Artificial Intelligence · Computer Science 2025-05-14 Yufei Lin , Chengwei Ye , Huanzhen Zhang , Kangsheng Wang , Linuo Xu , Shuyan Liu , Zeyu Zhang

Large Language Models (LLMs) excel in diverse tasks but often underperform in specialized fields due to limited domain-specific or proprietary corpus. Continual pre-training (CPT) enhances LLM capabilities by imbuing new domain-specific or…

Computation and Language · Computer Science 2024-10-08 Jiawei Gu , Zacc Yang , Chuanghao Ding , Rui Zhao , Fei Tan

Large language models (LLMs) have shown promising capabilities in visually interpreting medical time-series data. However, their general-purpose design can limit domain-specific precision, and the proprietary nature of many models poses…

Artificial Intelligence · Computer Science 2025-07-22 Huayu Li , Zhengxiao He , Xiwen Chen , Ci Zhang , Stuart F. Quan , William D. S. Killgore , Shu-Fen Wung , Chen X. Chen , Geng Yuan , Jin Lu , Ao Li

Cross-Modal Retrieval (CMR) is an important research topic across multimodal computing and information retrieval, which takes one type of data as the query to retrieve relevant data of another type. It has been widely used in many…

Computer Vision and Pattern Recognition · Computer Science 2022-04-19 Zhixiong Zeng , Wenji Mao

Recently, large language models (LLMs) have notably positioned them as capable tools for addressing complex optimization challenges. Despite this recognition, a predominant limitation of existing LLM-based optimization methods is their…

Artificial Intelligence · Computer Science 2024-03-05 Yuxiao Huang , Wenjie Zhang , Liang Feng , Xingyu Wu , Kay Chen Tan

Effective training-time guidance is central to multi-agent reinforcement learning (MARL), yet remains difficult in sparse-reward settings where weak supervision limits coordination and policy improvement, and existing methods often require…

Multiagent Systems · Computer Science 2026-05-29 Xiaoguang Wu , Zhi Zheng , Hui Xiong