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Searching through chemical space is an exceptionally challenging problem because the number of possible molecules grows combinatorially with the number of atoms. Large, autoregressive models trained on databases of chemical compounds have…

Machine Learning · Computer Science 2025-10-24 Shriram Chennakesavalu , Frank Hu , Sebastian Ibarraran , Grant M. Rotskoff

Advancements in Natural Language Processing (NLP), have led to the emergence of Large Language Models (LLMs) such as GPT, Llama, Claude, and Gemini, which excel across a range of tasks but require extensive fine-tuning to align their…

Computation and Language · Computer Science 2025-04-01 Angela Lopez-Cardona , Carlos Segura , Alexandros Karatzoglou , Sergi Abadal , Ioannis Arapakis

Inference-time alignment methods have gained significant attention for their efficiency and effectiveness in aligning large language models (LLMs) with human preferences. However, existing dominant approaches using reward-guided search…

Computation and Language · Computer Science 2025-07-01 Bin Xie , Bingbing Xu , Yige Yuan , Shengmao Zhu , Huawei Shen

Reward modeling represents a long-standing challenge in reinforcement learning from human feedback (RLHF) for aligning language models. Current reward modeling is heavily contingent upon experimental feedback data with high collection…

Computation and Language · Computer Science 2026-03-25 Hao Wang , Haocheng Yang , Licheng Pan , Lei Shen , Xiaoxi Li , Yinuo Wang , Zhichao Chen , Yuan Lu , Haoxuan Li , Zhouchen Lin

Achieving the effective design and improvement of reward functions in reinforcement learning (RL) tasks with complex custom environments and multiple requirements presents considerable challenges. In this paper, we propose ERFSL, an…

Machine Learning · Computer Science 2026-05-19 Guanwen Xie , Jingzehua Xu , Yiyuan Yang , Yimian Ding , Shuai Zhang

As large language models (LLMs) increasingly engage in complex social interactions, ensuring that their behaviors align with human ethical principles and intentions, known as value alignment, has become a critical scientific challenge.…

Computational Engineering, Finance, and Science · Computer Science 2026-05-29 Yu Lei , Hao Liu , Chengxing Xie , Songjia Liu , Zhiyu Yin , Canyu Chen , Guohao Li , Philip Torr , Zhen Wu

Reward-based fine-tuning steers a pretrained diffusion or flow-based generative model toward higher-reward samples while remaining close to the pretrained model. Although existing methods are derived from different perspectives, we show…

Machine Learning · Computer Science 2026-05-08 Jeongjae Lee , Jinho Chang , Jeongsol Kim , Jong Chul Ye

Reward model (RM) plays a pivotal role in reinforcement learning with human feedback (RLHF) for aligning large language models (LLMs). However, classical RMs trained on human preferences are vulnerable to reward hacking and generalize…

Machine Learning · Computer Science 2025-10-24 Zhenghao Xu , Qin Lu , Qingru Zhang , Liang Qiu , Ilgee Hong , Changlong Yu , Wenlin Yao , Yao Liu , Haoming Jiang , Lihong Li , Hyokun Yun , Tuo Zhao

Reinforcement learning from human feedback (RLHF) provides a principled framework for aligning AI systems with human preference data. For various reasons, e.g., personal bias, context ambiguity, lack of training, etc, human annotators may…

Machine Learning · Computer Science 2024-07-10 Alexander Bukharin , Ilgee Hong , Haoming Jiang , Zichong Li , Qingru Zhang , Zixuan Zhang , Tuo Zhao

Reliable abstention is critical for retrieval-augmented generation (RAG) systems, particularly in safety-critical domains such as women's health, where incorrect answers can lead to harm. We present an energy-based model (EBM) that learns a…

Computation and Language · Computer Science 2025-09-09 Ravi Shankar , Sheng Wong , Lin Li , Magdalena Bachmann , Alex Silverthorne , Beth Albert , Gabriel Davis Jones

Existing LLM-based agents have achieved strong performance on held-in tasks, but their generalizability to unseen tasks remains poor. Hence, some recent work focus on fine-tuning the policy model with more diverse tasks to improve the…

Computation and Language · Computer Science 2025-02-26 Yu Xia , Jingru Fan , Weize Chen , Siyu Yan , Xin Cong , Zhong Zhang , Yaxi Lu , Yankai Lin , Zhiyuan Liu , Maosong Sun

Reinforcement learning with verifiable rewards (RLVR) scales the reasoning ability of large language models (LLMs) but remains bottlenecked by limited labeled samples for continued data scaling. Reinforcement learning with intrinsic rewards…

Machine Learning · Computer Science 2025-10-13 Chuyi Tan , Peiwen Yuan , Xinglin Wang , Yiwei Li , Shaoxiong Feng , Yueqi Zhang , Jiayi Shi , Ji Zhang , Boyuan Pan , Yao Hu , Kan Li

We develop an online learning algorithm that dramatically improves the data efficiency of reinforcement learning from human feedback (RLHF). Our algorithm incrementally updates reward and language models as choice data is received. The…

While Large Language Models (LLMs) can generate fluent text, producing high-quality creative stories remains challenging. Reinforcement Learning (RL) offers a promising solution but faces two critical obstacles: designing reliable reward…

Artificial Intelligence · Computer Science 2026-01-13 Zhaoyan Li , Hang Lei , Yujia Wang , Lanbo Liu , Hao Liu , Liang Yu

Reinforcement learning with human feedback (RLHF) is shown to largely benefit from precise reward models (RMs). However, recent studies in reward modeling schemes are skewed towards English, limiting the applicability of RLHF in…

Computation and Language · Computer Science 2025-01-24 Jiwoo Hong , Noah Lee , Rodrigo Martínez-Castaño , César Rodríguez , James Thorne

In the era of Large Language Models (LLMs), alignment has emerged as a fundamental yet challenging problem in the pursuit of more reliable, controllable, and capable machine intelligence. The recent success of reasoning models and…

Machine Learning · Computer Science 2025-07-18 Hao Sun , Mihaela van der Schaar

We propose ERFSL, an efficient reward function searcher using large language models (LLMs) for custom-environment, multi-objective learning-based methods (LB). ERFSL generates reward components based on explicit user requirements, rectifies…

Systems and Control · Electrical Eng. & Systems 2026-05-20 Guanwen Xie , Jingzehua Xu , Yiyuan Yang , Yimian Ding , Shuai Zhang

Multimodal large language models (MLLMs) have shown remarkable capabilities, yet their performance is often capped by the coarse nature of existing alignment techniques. A critical bottleneck remains the lack of effective reward models…

Computation and Language · Computer Science 2026-02-03 Zicheng Kong , Dehua Ma , Zhenbo Xu , Alven Yang , Yiwei Ru , Haoran Wang , Zixuan Zhou , Fuqing Bie , Liuyu Xiang , Huijia Wu , Jian Zhao , Zhaofeng He

Large Vision-Language Models (LVLMs) typically follow a two-stage training paradigm-pretraining and supervised fine-tuning. Recently, preference optimization, derived from the language domain, has emerged as an effective post-training…

Computer Vision and Pattern Recognition · Computer Science 2025-03-25 Yufei Zhan , Yousong Zhu , Shurong Zheng , Hongyin Zhao , Fan Yang , Ming Tang , Jinqiao Wang

Effective long-term memory management is crucial for language models handling extended contexts. We introduce the Enhanced Ranked Memory Augmented Retrieval (ERMAR) framework, which dynamically ranks memory entries based on relevance.…

Information Retrieval · Computer Science 2026-05-19 Ghadir Alselwi , Hao Xue , Shoaib Jameel , Basem Suleiman , Flora D. Salim , Imran Razzak
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