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相关论文: C-MORAL: Controllable Multi-Objective Molecular Op…

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Multi-Agent Systems (MAS) excel at accomplishing complex objectives through the collaborative efforts of individual agents. Among the methodologies employed in MAS, Multi-Agent Reinforcement Learning (MARL) stands out as one of the most…

机器人学 · 计算机科学 2025-07-23 Chenhao Yao , Zike Yuan , Xiaoxu Liu , Chi Zhu

Molecular optimization is a fundamental goal in the chemical sciences and is of central interest to drug and material design. In recent years, significant progress has been made in solving challenging problems across various aspects of…

计算工程、金融与科学 · 计算机科学 2022-10-11 Wenhao Gao , Tianfan Fu , Jimeng Sun , Connor W. Coley

Large language models (LLMs) have become a strong foundation for multi-agent systems, but their effectiveness depends heavily on orchestration design. Across different tasks, role design, capacity assignment, and dependency construction…

人工智能 · 计算机科学 2026-05-15 Xudong Chen , Yixin Liu , Hua Wei , Kaize Ding

In this paper, we introduce a novel approach for addressing the multi-objective optimization problem in large language model merging via black-box multi-objective optimization algorithms. The goal of model merging is to combine multiple…

计算与语言 · 计算机科学 2024-11-26 Bingdong Li , Zixiang Di , Yanting Yang , Hong Qian , Peng Yang , Hao Hao , Ke Tang , Aimin Zhou

Large Language Models (LLMs) demonstrate strong capabilities in general coding tasks but encounter two key challenges when optimizing code: (i) the complexity of writing optimized code (such as performant CUDA kernels and competition-level…

机器学习 · 计算机科学 2026-01-12 Jiefu Ou , Sapana Chaudhary , Kaj Bostrom , Nathaniel Weir , Shuai Zhang , Huzefa Rangwala , George Karypis

Multimodal large language models (MLLMs) have demonstrated impressive reasoning and instruction-following capabilities, yet their expanded modality space introduces new compositional safety risks that emerge from complex text-image…

密码学与安全 · 计算机科学 2025-11-18 Xuankun Rong , Wenke Huang , Tingfeng Wang , Daiguo Zhou , Bo Du , Mang Ye

Reinforcement learning has proven its effectiveness in enhancing the reasoning capabilities of large language models. Recent research efforts have progressively extended this paradigm to multimodal reasoning tasks. Due to the inherent…

计算机视觉与模式识别 · 计算机科学 2025-08-01 Ruifeng Yuan , Chenghao Xiao , Sicong Leng , Jianyu Wang , Long Li , Weiwen Xu , Hou Pong Chan , Deli Zhao , Tingyang Xu , Zhongyu Wei , Hao Zhang , Yu Rong

Reinforcement learning (RL) is a valuable tool for the creation of AI systems. However it may be problematic to adequately align RL based on scalar rewards if there are multiple conflicting values or stakeholders to be considered. Over the…

机器学习 · 计算机科学 2024-10-16 Peter Vamplew , Conor F Hayes , Cameron Foale , Richard Dazeley , Hadassah Harland

Foundation models update slowly due to resource-intensive training, whereas domain-specific models evolve rapidly between releases. Model merging seeks to combine multiple expert models into a single, more capable model, reducing storage…

人工智能 · 计算机科学 2026-03-04 Yongxian Wei , Runxi Cheng , Weike Jin , Enneng Yang , Li Shen , Lu Hou , Sinan Du , Chun Yuan , Xiaochun Cao , Dacheng Tao

Cross-modal text-molecule retrieval model aims to learn a shared feature space of the text and molecule modalities for accurate similarity calculation, which facilitates the rapid screening of molecules with specific properties and…

信息检索 · 计算机科学 2024-11-01 Jia Song , Wanru Zhuang , Yujie Lin , Liang Zhang , Chunyan Li , Jinsong Su , Song He , Xiaochen Bo

Large Language Models (LLMs) and causal learning each hold strong potential for clinical decision making (CDM). However, their synergy remains poorly understood, largely due to the lack of systematic benchmarks evaluating their integration…

机器学习 · 计算机科学 2025-11-14 Linna Wang , Zhixuan You , Qihui Zhang , Jiunan Wen , Ji Shi , Yimin Chen , Yusen Wang , Fanqi Ding , Ziliang Feng , Li Lu

In numerous reinforcement learning (RL) problems involving safety-critical systems, a key challenge lies in balancing multiple objectives while simultaneously meeting all stringent safety constraints. To tackle this issue, we propose a…

人工智能 · 计算机科学 2024-05-28 Shangding Gu , Bilgehan Sel , Yuhao Ding , Lu Wang , Qingwei Lin , Alois Knoll , Ming Jin

Multimodal Reward Models (MRMs) play a crucial role in enhancing the performance of Multimodal Large Language Models (MLLMs). While recent advancements have primarily focused on improving the model structure and training data of MRMs, there…

Large Language Models demonstrate substantial promise for advancing scientific discovery, yet their deployment in disciplines demanding factual precision and specialized domain constraints presents significant challenges. Within molecular…

机器学习 · 计算机科学 2026-02-23 Malikussaid , Hilal Hudan Nuha , Isman Kurniawan

Although large language models (LLMs) perform well in general tasks, domain-specific applications suffer from hallucinations and accuracy limitations. Continual Pre-Training (CPT) approaches encounter two key issues: (1) domain-biased data…

计算与语言 · 计算机科学 2025-05-21 Jingxue Chen , Qingkun Tang , Qianchun Lu , Siyuan Fang

We develop a novel multi-objective reinforcement learning (MORL) framework to jointly optimize wireless network selection and autonomous driving policies in a multi-band vehicular network operating on conventional sub-6GHz spectrum and…

机器学习 · 计算机科学 2025-06-17 Zijiang Yan , Hina Tabassum

Reinforcement learning with verifiable rewards (RLVR) has achieved remarkable success in logical reasoning tasks, yet whether large language model (LLM) alignment requires fundamentally different approaches remains unclear. Given the…

人工智能 · 计算机科学 2026-03-12 Zhaowei Zhang , Xiaohan Liu , Xuekai Zhu , Junchao Huang , Ceyao Zhang , Zhiyuan Feng , Yaodong Yang , Xiaoyuan Yi , Xing Xie

Scaling test-time computation with reinforcement learning (RL) has emerged as a reliable path to improve large language models (LLM) reasoning ability. Yet, outcome-based reward often incentivizes models to be overconfident, leading to…

机器学习 · 计算机科学 2026-04-28 Liaoyaqi Wang , Chunsheng Zuo , William Jurayj , Benjamin Van Durme , Anqi Liu

Aligning large language models (LLMs) with human preferences is critical for enhancing LLMs' safety, helpfulness, humor, faithfulness, etc. Current reinforcement learning from human feedback (RLHF) mainly focuses on a fixed reward learned…

机器学习 · 计算机科学 2026-04-07 Qiang He , Yucheng Yang , Tianyi Zhou , Meng Fang , Mykola Pechenizkiy , Setareh Maghsudi

Large Language Models (LLMs) have recently emerged as effective surrogate models and candidate generators within global optimization frameworks for expensive blackbox functions. Despite promising results, LLM-based methods often struggle in…

机器学习 · 计算机科学 2026-01-28 Andrej Schwanke , Lyubomir Ivanov , David Salinas , Fabio Ferreira , Aaron Klein , Frank Hutter , Arber Zela