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It is commonly believed that optimizing the reverse KL divergence results in "mode seeking", while optimizing forward KL results in "mass covering", with the latter being preferred if the goal is to sample from multiple diverse modes. We…

Machine Learning · Computer Science 2025-10-24 Anthony GX-Chen , Jatin Prakash , Jeff Guo , Rob Fergus , Rajesh Ranganath

Code reasoning refers to the task of predicting the output of a program given its source code and specific inputs. It can measure the reasoning capability of large language models (LLMs) and also benefit downstream tasks such as code…

Machine Learning · Computer Science 2026-05-19 Zhanyue Qin , Jia Feng , Yibo Lyu , Yun Peng , Dianbo Sui , Cuiyun Gao , Qing Liao

Protein sequence design, determined by amino acid sequences, are essential to protein engineering problems in drug discovery. Prior approaches have resorted to evolutionary strategies or Monte-Carlo methods for protein design, but often…

Model-based reinforcement learning (MBRL) has gained much attention for its ability to learn complex behaviors in a sample-efficient way: planning actions by generating imaginary trajectories with predicted rewards. Despite its success, we…

Machine Learning · Computer Science 2024-02-20 Vint Lee , Pieter Abbeel , Youngwoon Lee

Molecular property prediction is crucial for drug discovery and materials science, yet existing approaches suffer from limited interpretability, poor cross-task generalization, and lack of chemical reasoning capabilities. Traditional…

Machine Learning · Computer Science 2025-10-20 Jiaxi Zhuang , Yaorui Shi , Jue Hou , Yunong He , Mingwei Ye , Mingjun Xu , Yuming Su , Linfeng Zhang , Ying Qian , Linfeng Zhang , Guolin Ke , Hengxing Cai

Reward Models (RMs) are crucial to aligning large language models (LLMs), but the degree to which an RM specialized to one task (e.g. writing) generalizes to new tasks (e.g. math) is often not known a priori, often making using only one…

Computation and Language · Computer Science 2025-10-23 Duy Nguyen , Archiki Prasad , Elias Stengel-Eskin , Mohit Bansal

Machine learning practitioners often face significant challenges in formally integrating their prior knowledge and beliefs into predictive models, limiting the potential for nuanced and context-aware analyses. Moreover, the expertise needed…

Machine Learning · Statistics 2024-12-23 James Requeima , John Bronskill , Dami Choi , Richard E. Turner , David Duvenaud

Language models (LMs) are machine learning models designed to predict linguistic patterns by estimating the probability of word sequences based on large-scale datasets, such as text. LMs have a wide range of applications in natural language…

Recent advancements in large language models (LLMs) have significantly improved code generation and program comprehension, accelerating the evolution of software engineering. Current methods primarily enhance model performance by leveraging…

Computation and Language · Computer Science 2025-07-04 Weijie Lyu , Sheng-Jun Huang , Xuan Xia

Reinforcement Learning (RL) has shown great potential in refining robotic manipulation policies, yet its efficacy remains strongly bottlenecked by the difficulty of designing generalizable reward functions. In this paper, we propose a…

Robotics · Computer Science 2026-03-24 Yanru Wu , Weiduo Yuan , Ang Qi , Vitor Guizilini , Jiageng Mao , Yue Wang

The alignment of Large Language Models (LLMs) is critically dependent on reward models trained on costly human preference data. While recent work explores bypassing this cost with AI feedback, these methods often lack a rigorous theoretical…

Computation and Language · Computer Science 2025-07-01 Yi-Chen Li , Tian Xu , Yang Yu , Xuqin Zhang , Xiong-Hui Chen , Zhongxiang Ling , Ningjing Chao , Lei Yuan , Zhi-Hua Zhou

Reward engineering, the manual specification of reward functions to induce desired agent behavior, remains a fundamental challenge in multi-agent reinforcement learning. This difficulty is amplified by credit assignment ambiguity,…

Artificial Intelligence · Computer Science 2026-01-14 Haoran Su , Yandong Sun , Congjia Yu

Reinforcement learning with verifiable rewards (RLVR) has been shown to enhance the reasoning capabilities of large language models (LLMs), enabling the development of large reasoning models (LRMs). However, LRMs such as DeepSeek-R1 and…

Artificial Intelligence · Computer Science 2025-11-13 Yuhao Wang , Xiaopeng Li , Cheng Gong , Ziru Liu , Suiyun Zhang , Rui Liu , Xiangyu Zhao

Reinforcement Learning with Verifiable Rewards (RLVR) enhances reasoning of Large Language Models (LLMs) but usually exhibits limited generation diversity due to the over-incentivization of positive rewards. Although methods like Negative…

Machine Learning · Computer Science 2026-05-11 Zihan Lin , Xiaohan Wang , Jie Cao , Jiajun Chai , Li Wang , Xiaodong Lu , Wei Lin , Ran He , Guojun Yin

Recent advances in large language models (LLMs) have demonstrated significant progress in performing complex tasks. While Reinforcement Learning from Human Feedback (RLHF) has been effective in aligning LLMs with human preferences, it is…

Machine Learning · Computer Science 2025-05-30 Chaoqi Wang , Zhuokai Zhao , Yibo Jiang , Zhaorun Chen , Chen Zhu , Yuxin Chen , Jiayi Liu , Lizhu Zhang , Xiangjun Fan , Hao Ma , Sinong Wang

Probabilistic model checking traditionally verifies properties on the expected value of a measure of interest. This restriction may fail to capture the quality of service of a significant proportion of a system's runs, especially when the…

Artificial Intelligence · Computer Science 2025-02-10 Xiaotong Ji , Hanchun Wang , Antonio Filieri , Ilenia Epifani

Score-based generative models can effectively learn the distribution of data by estimating the gradient of the distribution. Due to the multi-step denoising characteristic, researchers have recently considered combining score-based…

Machine Learning · Computer Science 2024-12-17 Changyuan Zhao , Hongyang Du , Guangyuan Liu , Dusit Niyato

We study the theoretical aspects of Reinforced Language Models (RLMs) from a bi-objective optimization perspective. Specifically, we consider the RLMs as a Pareto optimization problem that maximizes the two conflicting objectives, i.e.,…

Machine Learning · Computer Science 2023-11-27 Changhun Lee , Chiehyeon Lim

Mathematical reasoning is a key benchmark for large language models. Reinforcement learning is a standard post-training mechanism for improving the reasoning capabilities of large language models, yet performance remains sensitive to the…

Computation and Language · Computer Science 2026-05-11 Arash Ahmadi , Sarah Sharif , Yaser , Banad

Reward modeling is essential for aligning large language models with human preferences through reinforcement learning. To provide accurate reward signals, a reward model (RM) should stimulate deep thinking and conduct interpretable…

Computation and Language · Computer Science 2026-03-09 Xiusi Chen , Gaotang Li , Ziqi Wang , Bowen Jin , Cheng Qian , Yu Wang , Hongru Wang , Yu Zhang , Denghui Zhang , Tong Zhang , Hanghang Tong , Heng Ji
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