中文
相关论文

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

200 篇论文

Large Language Models (LLMs) have achieved remarkable success on reasoning benchmarks through Reinforcement Learning with Verifiable Rewards (RLVR), excelling at tasks such as math, coding, logic, and puzzles. However, existing benchmarks…

人工智能 · 计算机科学 2026-05-12 Xiaozhe Li , Xinyu Fang , Shengyuan Ding , Yang Li , Linyang Li , Haodong Duan , Qingwen Liu , Kai Chen

The modeling of bio-molecular system across molecular scales remains a central challenge in scientific research. Large language models (LLMs) are increasingly applied to bio-molecular discovery, yet systematic evaluation across multi-scale…

机器学习 · 计算机科学 2026-04-07 Yaxin Xu , Yue Zhou , Tianyu Zhao , Fengwei An , Zhixiang Ren

Multimodal Contrastive Learning (MCL) advances in aligning different modalities and generating multimodal representations in a joint space. By leveraging contrastive learning across diverse modalities, large-scale multimodal data enhances…

机器学习 · 计算机科学 2025-09-23 Xiaohao Liu , Xiaobo Xia , See-Kiong Ng , Tat-Seng Chua

We seek to automate the design of molecules based on specific chemical properties. Our primary contributions are a simpler method for generating SMILES strings guaranteed to be chemically valid, using a combination of a new context-free…

机器学习 · 计算机科学 2018-11-29 Egor Kraev

Role-playing is important for Large Language Models (LLMs) to follow diverse instructions while maintaining role identity and the role's pre-defined ability limits. Existing role-playing datasets mostly contribute to controlling role style…

计算与语言 · 计算机科学 2025-02-18 Junru Lu , Jiazheng Li , Guodong Shen , Lin Gui , Siyu An , Yulan He , Di Yin , Xing Sun

In real-world decision optimization, often multiple competing objectives must be taken into account. Following classical reinforcement learning, these objectives have to be combined into a single reward function. In contrast,…

机器学习 · 计算机科学 2022-04-12 Johannes Dornheim

Enhancing the ability of large language models (LLMs) to follow complex instructions is critical for their deployment in real-world applications. However, existing evaluation methods often oversimplify instruction complexity as a mere…

Large Language Models (LLMs) have shown impressive moral reasoning abilities. Yet they often diverge when confronted with complex, multi-factor moral dilemmas. To address these discrepancies, we propose a framework that synthesizes multiple…

计算与语言 · 计算机科学 2026-02-09 Chenchen Yuan , Zheyu Zhang , Shuo Yang , Bardh Prenkaj , Gjergji Kasneci

Finetuning a Large Language Model (LLM) is crucial for generating results towards specific objectives. This research delves into the realm of drug optimization and introduce a novel reinforcement learning algorithm to finetune a drug…

机器学习 · 计算机科学 2025-02-12 Xuefeng Liu , Songhao Jiang , Siyu Chen , Zhuoran Yang , Yuxin Chen , Ian Foster , Rick Stevens

Humanoid robots often need to balance competing objectives, such as maximizing speed while minimizing energy consumption. While current reinforcement learning (RL) methods can master complex skills like fall recovery and perceptive…

机器人学 · 计算机科学 2026-03-26 Huanyu Li , Dewei Wang , Xinmiao Wang , Xinzhe Liu , Peng Liu , Chenjia Bai , Xuelong Li

Multi-objective reinforcement learning (MORL) addresses the challenge of simultaneously optimizing multiple, often conflicting, rewards, moving beyond the single-reward focus of conventional reinforcement learning (RL). This approach is…

神经与进化计算 · 计算机科学 2025-05-21 Carlos Hernández , Roberto Santana

In recent years, Multimodal Emotion Recognition (MER) has made substantial progress. Nevertheless, most existing approaches neglect the semantic inconsistencies that may arise across modalities, such as conflicting emotional cues between…

计算机视觉与模式识别 · 计算机科学 2025-10-24 Guowei Zhong , Junjie Li , Huaiyu Zhu , Ruohong Huan , Yun Pan

Multimodal LLMs often produce fluent yet unreliable reasoning, exhibiting weak step-to-step coherence and insufficient visual grounding, largely because existing alignment approaches supervise only the final answer while ignoring the…

计算机视觉与模式识别 · 计算机科学 2025-12-30 Jesen Zhang , Ningyuan Liu , Kaitong Cai , Sidi Liu , Jing Yang , Ziliang Chen , Xiaofei Sun , Keze Wang

Large language models (LLMs) have demonstrated strong capabilities in translating natural language questions about relational databases into SQL queries. In particular, test-time scaling techniques such as Self-Consistency and…

计算与语言 · 计算机科学 2025-07-01 Lei Sheng , Shuai-Shuai Xu

Constrained multi-objective optimization problems (CMOPs) frequently arise in real-world applications where multiple conflicting objectives must be optimized under complex constraints. Existing dual-population two-stage algorithms have…

神经与进化计算 · 计算机科学 2025-10-27 Zhen-Song Chen , Hong-Wei Ding , Xian-Jia Wang , Witold Pedrycz

Reliably ensuring Large Language Models (LLMs) follow complex instructions is a critical challenge, as existing benchmarks often fail to reflect real-world use or isolate compliance from task success. We introduce MOSAIC (MOdular Synthetic…

人工智能 · 计算机科学 2026-01-27 Alberto Purpura , Li Wang , Sahil Badyal , Eugenio Beaufrand , Adam Faulkner

In the molecular domain, numerous studies have explored the use of multimodal large language models (LLMs) to construct a general-purpose, multi-task molecular model. However, these efforts are still far from achieving a truly universal…

机器学习 · 计算机科学 2025-10-31 Chengxin Hu , Hao Li , Yihe Yuan , Zezheng Song , Chenyang Zhao , Haixin Wang

Reward-based alignment methods for large language models (LLMs) face two key limitations: vulnerability to reward hacking, where models exploit flaws in the reward signal; and reliance on brittle, labor-intensive prompt engineering when…

计算与语言 · 计算机科学 2025-05-20 Zae Myung Kim , Chanwoo Park , Vipul Raheja , Suin Kim , Dongyeop Kang

With the flourishing of social media platforms, vision-language pre-training (VLP) recently has received great attention and many remarkable progresses have been achieved. The success of VLP largely benefits from the information…

计算机视觉与模式识别 · 计算机科学 2024-10-17 Zhiyuan Ma , Jianjun Li , Guohui Li , Kaiyan Huang

Multimodal Large Language Models (MLLMs) have shown strong potential for radiology report generation, yet their clinical translation is hindered by architectural heterogeneity and the prevalence of factual hallucinations. Standard…

机器学习 · 计算机科学 2026-01-13 Kun Zhao , Siyuan Dai , Pan Wang , Jifeng Song , Hui Ji , Chenghua Lin , Liang Zhan , Haoteng Tang