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相关论文: De Novo Molecular Design Enabled by Direct Prefere…

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De novo design of molecules has recently enjoyed the power of generative deep neural networks. Current approaches aim to generate molecules either resembling the properties of the molecules of the training set or molecules that are…

生物大分子 · 定量生物学 2020-11-02 Ahmadreza Ghanbarpour , Markus A. Lill

Minimum Bayes Risk (MBR) decoding can significantly improve translation performance of Multilingual Large Language Models (MLLMs). However, MBR decoding is computationally expensive. We show how the recently developed Reinforcement Learning…

计算与语言 · 计算机科学 2024-04-15 Guangyu Yang , Jinghong Chen , Weizhe Lin , Bill Byrne

Direct Preference Optimization (DPO) has shown promising results in aligning generative outputs with human preferences by distinguishing between chosen and rejected samples. However, a critical limitation of DPO is likelihood displacement,…

计算机视觉与模式识别 · 计算机科学 2025-11-25 Ruojun Xu , Yu Kai , Xuhua Ren , Jiaxiang Cheng , Bing Ma , Tianxiang Zheng , Qinhlin Lu

Deciphering protein function remains a fundamental challenge in protein representation learning. The task presents significant difficulties for protein language models (PLMs) due to the sheer volume of functional annotation categories and…

生物大分子 · 定量生物学 2025-06-10 Zixuan Jiang , Renjing Xu

Direct preference optimization (DPO) is a form of reinforcement learning from human feedback (RLHF) where the policy is learned directly from preferential feedback. Although many models of human preferences exist, the critical task of…

机器学习 · 计算机科学 2025-03-04 Branislav Kveton , Xintong Li , Julian McAuley , Ryan Rossi , Jingbo Shang , Junda Wu , Tong Yu

Learning from preference feedback has emerged as an essential step for improving the generation quality and performance of modern language models (LMs). Despite its widespread use, the way preference-based learning is applied varies wildly,…

A major obstacle to the realization of novel inorganic materials with desirable properties is the inability to perform efficient optimization across both materials properties and synthesis of those materials. In this work, we propose a…

材料科学 · 物理学 2022-10-24 Elton Pan , Christopher Karpovich , Elsa Olivetti

Reinforcement learning (RL) has emerged as a promising paradigm for inducing explicit reasoning behaviors in large language and vision-language models. However, reasoning-oriented RL post-training remains fundamentally challenging due to…

人工智能 · 计算机科学 2026-05-13 Fan Yang , Rui Meng , Trudi Di Qi , Ali Ezzati , Yuxin Wen

Direct Preference Optimization (DPO) has gained attention as an efficient alternative to reinforcement learning from human feedback (RLHF) for aligning large language models (LLMs) with human preferences. Despite its advantages, DPO suffers…

计算与语言 · 计算机科学 2025-02-21 Ruichen Shao , Bei Li , Gangao Liu , Yang Chen , Xiang Zhou , Jingang Wang , Xunliang Cai , Peng Li

Structure-based drug design has been accelerated by pocket-aware 3D generative models, yet most methods primarily fit the training distribution and may fall short of satisfying multiple properties required in real-world therapeutic drug…

机器学习 · 计算机科学 2026-05-19 Yuan Xue , Daniel Kudenko , Megha Khosla

Single-trajectory reinforcement learning (RL) methods aim to optimize policies from datasets consisting of (prompt, response, reward) triplets, where scalar rewards are directly available. This supervision format is highly practical, as it…

机器学习 · 计算机科学 2025-12-23 Bilal Faye , Hanane Azzag , Mustapha Lebbah

Computer-aided design of molecules has the potential to disrupt the field of drug and material discovery. Machine learning, and deep learning, in particular, have been topics where the field has been developing at a rapid pace.…

机器学习 · 计算机科学 2022-08-08 Luca A. Thiede , Mario Krenn , AkshatKumar Nigam , Alan Aspuru-Guzik

Generative Retrieval (GR) is rapidly transforming e-commerce search by replacing traditional multi-stage pipelines with the autoregressive decoding of structured Semantic IDs (SIDs). Despite this architectural efficiency, aligning GR models…

信息检索 · 计算机科学 2026-04-29 Zhiguo Chen , Guohao Sun , Yiming Qiu , Xingzhi Yao , Mingming Li , Huimu Wang , Yangqi Zhang , Songlin Wang , Sulong Xu

This study addresses the challenge of noise in training datasets for Direct Preference Optimization (DPO), a method for aligning Large Language Models (LLMs) with human preferences. We categorize noise into pointwise noise, which includes…

机器学习 · 计算机科学 2025-04-21 Junkang Wu , Yuexiang Xie , Zhengyi Yang , Jiancan Wu , Jiawei Chen , Jinyang Gao , Bolin Ding , Xiang Wang , Xiangnan He

We study an LLM fine-tuning task for designing reward functions for sequential resource allocation problems in public health, guided by human preferences expressed in natural language. This setting presents a challenging testbed for…

机器学习 · 计算机科学 2025-11-19 Cheol Woo Kim , Shresth Verma , Mauricio Tec , Milind Tambe

Large language models (LLMs) benefit substantially from supervised fine-tuning (SFT) and reinforcement learning with verifiable rewards (RLVR) in reasoning tasks. However, these recipes perform poorly in instruction-based molecular…

机器学习 · 计算机科学 2026-03-09 Xuan Li , Zhanke Zhou , Zongze Li , Jiangchao Yao , Yu Rong , Lu Zhang , Bo Han

The effectiveness of Direct Preference Optimization (DPO) depends on preference data that reflect the quality differences that matter in multimodal tasks. Existing pipelines often rely on off-policy perturbations or coarse outcome-based…

Recently, there has been significant interest in replacing the reward model in Reinforcement Learning with Human Feedback (RLHF) methods for Large Language Models (LLMs), such as Direct Preference Optimization (DPO) and its variants. These…

计算与语言 · 计算机科学 2024-09-27 Jian Li , Haojing Huang , Yujia Zhang , Pengfei Xu , Xi Chen , Rui Song , Lida Shi , Jingwen Wang , Hao Xu

Direct Preference Optimization (DPO) is a widely adopted offline algorithm for preference-based reinforcement learning from human feedback (RLHF), designed to improve training simplicity and stability by redefining reward functions.…

计算与语言 · 计算机科学 2025-05-30 Gengxu Li , Tingyu Xia , Yi Chang , Yuan Wu

Over the recent years, reinforcement learning (RL) starts to show promising results in tackling combinatorial optimization (CO) problems, in particular when coupled with curriculum learning to facilitate training. Despite emerging empirical…

机器学习 · 计算机科学 2023-11-07 Runlong Zhou , Zelin He , Yuandong Tian , Yi Wu , Simon S. Du