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Given the remarkable performance of Large Language Models (LLMs), an important question arises: Can LLMs conduct human-like scientific research and discover new knowledge, and act as an AI scientist? Scientific discovery is an iterative…

Machine Learning · Computer Science 2025-02-24 Tingting Chen , Srinivas Anumasa , Beibei Lin , Vedant Shah , Anirudh Goyal , Dianbo Liu

Reinforcement Learning (RL) has proven highly effective for autoregressive language models, but adapting these methods to diffusion large language models (dLLMs) presents fundamental challenges. The core difficulty lies in likelihood…

Computation and Language · Computer Science 2025-12-04 Jingyang Ou , Jiaqi Han , Minkai Xu , Shaoxuan Xu , Jianwen Xie , Stefano Ermon , Yi Wu , Chongxuan Li

We propose Frictive Policy Optimization (FPO), a framework for learning language model policies that regulate not only what to say, but when and how to intervene in order to manage epistemic and normative risk. Unlike standard alignment…

Computation and Language · Computer Science 2026-04-29 James Pustejovsky , Nikhil Krishnaswamy

The widespread application of pre-trained language models (PLMs) in natural language processing (NLP) has led to increasing concerns about their explainability. Selective rationalization is a self-explanatory framework that selects…

Computation and Language · Computer Science 2025-01-07 Libing Yuan , Shuaibo Hu , Kui Yu , Le Wu

Reinforcement learning (RL) has re-emerged as a natural approach for training interactive LLM agents in real-world environments. However, directly applying the widely used Group Relative Policy Optimization (GRPO) algorithm to multi-turn…

Machine Learning · Computer Science 2026-01-27 Junbo Li , Peng Zhou , Rui Meng , Meet P. Vadera , Lihong Li , Yang Li

Physics-informed neural networks (PINNs) provide a powerful approach for solving partial differential equations (PDEs), but constructing a usable PINN remains labor-intensive and error-prone. Scientists must interpret problems as PDE…

Artificial Intelligence · Computer Science 2025-10-08 Xin He , Liangliang You , Hongduan Tian , Bo Han , Ivor Tsang , Yew-Soon Ong

We propose Orthogonalized Policy Optimization (OPO), a principled framework for large language model alignment derived from optimization in the Hilbert function space L2(pi_k). Lifting policy updates from the probability simplex into…

Machine Learning · Computer Science 2026-02-26 Wang Zixian

Foundation models, large machine learning models trained on broad, multimodal datasets, have been gaining increasing attention in scientific applications due to their strong performance on diverse downstream tasks. Large Language Models…

High Energy Physics - Phenomenology · Physics 2025-10-07 Manuel Morales-Alvarado

Aligning large language models (LLMs) with human preferences is critical for real-world deployment, yet existing methods like RLHF face computational and stability challenges. While DPO establishes an offline paradigm with single…

Machine Learning · Computer Science 2025-10-28 Junkang Wu , Kexin Huang , Xue Wang , Jinyang Gao , Bolin Ding , Jiancan Wu , Xiangnan He , Xiang Wang

Automated discovery of physical laws from observational data in the real world is a grand challenge in AI. Current methods, relying on symbolic regression or LLMs, are limited to uni-modal data and overlook the rich, visual phenomenological…

Artificial Intelligence · Computer Science 2025-08-26 Jiaqi Liu , Songning Lai , Pengze Li , Di Yu , Wenjie Zhou , Yiyang Zhou , Peng Xia , Zijun Wang , Xi Chen , Shixiang Tang , Lei Bai , Wanli Ouyang , Mingyu Ding , Huaxiu Yao , Aoran Wang

Large Language Models (LLMs) have recently demonstrated exceptional performance in various Natural Language Processing (NLP) tasks. They have also shown the ability to perform chain-of-thought (CoT) reasoning to solve complex problems.…

Computation and Language · Computer Science 2023-12-19 Lei Wang , Yi Hu , Jiabang He , Xing Xu , Ning Liu , Hui Liu , Heng Tao Shen

Aligning Large Language Models (LLMs) traditionally relies on costly training and human preference annotations. Self-alignment seeks to reduce these expenses by enabling models to align themselves. To further lower costs and achieve…

Computation and Language · Computer Science 2024-11-15 Somanshu Singla , Zhen Wang , Tianyang Liu , Abdullah Ashfaq , Zhiting Hu , Eric P. Xing

Recent advances in alignment techniques such as Supervised Fine-Tuning (SFT), Reinforcement Learning from Human Feedback (RLHF), and Direct Preference Optimization (DPO) have improved the safety of large language models (LLMs). However,…

Computation and Language · Computer Science 2026-02-26 Mengxuan Hu , Vivek V. Datla , Anoop Kumar , Zihan Guan , Sheng Li , Alfy Samuel , Daben Liu

Fine-tuning large language models (LLMs) for reasoning tasks using reinforcement learning methods like Group Relative Policy Optimization (GRPO) is computationally expensive. To address this, we propose a predictive framework that models…

Machine Learning · Computer Science 2026-03-23 Datta Nimmaturi , Vaishnavi Bhargava , Rajat Ghosh , Johnu George , Debojyoti Dutta

Existing Reinforcement Learning from Verifiable Rewards (RLVR) methods, such as Group Relative Policy Optimization (GRPO), have achieved remarkable progress in improving the reasoning capabilities of Large Reasoning Models (LRMs). However,…

Machine Learning · Computer Science 2026-04-16 Hsiu-Yuan Huang , Chenming Tang , Weijie Liu , Clive Bai , Saiyong Yang , Yunfang Wu

Multi-turn tool-integrated reasoning enables Large Language Models (LLMs) to solve complex tasks through iterative information retrieval. However, current reinforcement learning (RL) frameworks for search-augmented reasoning predominantly…

Artificial Intelligence · Computer Science 2026-04-07 Shichao Ma , Zhiyuan Ma , Ming Yang , Xiaofan Li , Xing Wu , Jintao Du , Yu Cheng , Weiqiang Wang , Qiliang Liu , Zhengyang Zhou , Yang Wang

Reinforcement learning with verifiable rewards (RLVR) has demonstrated superior performance in enhancing the reasoning capability of large language models (LLMs). However, this accuracy-oriented learning paradigm often suffers from entropy…

Artificial Intelligence · Computer Science 2026-01-19 Hongye Cao , Zhixin Bai , Ziyue Peng , Boyan Wang , Tianpei Yang , Jing Huo , Yuyao Zhang , Yang Gao

Data augmentation is a critical component of deep learning pipelines, enhancing model generalization by increasing dataset diversity. Traditional augmentation strategies rely on manually designed transformations, stochastic sampling, or…

Computer Vision and Pattern Recognition · Computer Science 2025-08-06 Ant Duru , Alptekin Temizel

Large Language Models have recently gained significant attention in scientific discovery for their extensive knowledge and advanced reasoning capabilities. However, they encounter challenges in effectively simulating observational feedback…

Machine Learning · Computer Science 2024-05-17 Pingchuan Ma , Tsun-Hsuan Wang , Minghao Guo , Zhiqing Sun , Joshua B. Tenenbaum , Daniela Rus , Chuang Gan , Wojciech Matusik

Recent advancements in reinforcement learning from human feedback have shown that utilizing fine-grained token-level reward models can substantially enhance the performance of Proximal Policy Optimization (PPO) in aligning large language…

Machine Learning · Computer Science 2025-06-18 Mingkang Zhu , Xi Chen , Zhongdao Wang , Bei Yu , Hengshuang Zhao , Jiaya Jia