English
Related papers

Related papers: LLM-Based Scientific Equation Discovery via Physic…

200 papers

Recently, Large Language Models (LLMs) have been applied to scientific equation discovery, leveraging their embedded scientific knowledge for hypothesis generation. However, current methods typically confine LLMs to the role of an equation…

Artificial Intelligence · Computer Science 2026-02-18 Shijie Xia , Yuhan Sun , Pengfei Liu

Large Protein Language Models have shown strong potential for generative protein design, yet they frequently produce structural hallucinations, generating sequences with high linguistic likelihood that fold into thermodynamically unstable…

Computation and Language · Computer Science 2026-01-05 QiWei Meng

Logical reasoning is a key task for artificial intelligence due to it's role in major downstream tasks such as Question Answering, Summarization. Recent methods in improving the reasoning ability of LLMs fall short in correctly converting a…

Machine Learning · Computer Science 2025-06-24 Koushik Viswanadha , Deepanway Ghosal , Somak Aditya

Large Language Models (LLMs) can acquire extensive world knowledge through pre-training on large corpora. However, due to exposure to low-quality data, LLMs may exhibit harmful behavior without aligning with human values. The dominant…

Machine Learning · Computer Science 2023-10-11 Tianhao Wu , Banghua Zhu , Ruoyu Zhang , Zhaojin Wen , Kannan Ramchandran , Jiantao Jiao

While large language models (LLMs) have recently made tremendous progress towards solving challenging AI problems, they have done so at increasingly steep computational and API costs. We propose a novel strategy where we combine multiple…

Machine Learning · Computer Science 2026-03-24 Wenwen Si , Sooyong Jang , Insup Lee , Osbert Bastani

The performance of Large Language Models (LLMs) depends heavily on the chosen prompting strategy, yet static approaches such as Zero-Shot, Few-Shot, or Chain-of-Thought (CoT) impose a rigid efficiency-accuracy trade-off. Highly accurate…

Machine Learning · Computer Science 2025-10-01 Jiexi Xu

Reinforcement learning has become a central paradigm for improving LLM reasoning. However, existing methods use a single policy to produce both inference responses and training optimization trajectories. The objective conflict between…

Machine Learning · Computer Science 2026-01-26 Jingchu Wang , Bingbing Xu , Yige Yuan , Bin Xie , Xiaoqian Sun , Huawei Shen

Reinforcement Learning with Verifiable Rewards (RLVR) has advanced the reasoning capability of large language models (LLMs), enabling autonomous agents that can conduct effective multi-turn and tool-integrated reasoning. While instructions…

Machine Learning · Computer Science 2026-02-03 Han Zhou , Xingchen Wan , Ivan Vulić , Anna Korhonen

Improving and understanding the training dynamics and reasoning of Large Language Models (LLMs) has become essential for their deployment in AI-based security tools, such as software vulnerability detection. In this work, we present an…

Cryptography and Security · Computer Science 2025-07-08 Marco Simoni , Aleksandar Fontana , Giulio Rossolini , Andrea Saracino

Scientific software relies on high-precision computation, yet finite floating-point representations can introduce precision errors that propagate in safety-critical domains. Despite the growing use of large language models (LLMs) in…

Software Engineering · Computer Science 2026-04-10 Tien Nguyen , Kirshanthan Sundararajah , Muhammad Ali Gulzar

Balancing helpfulness and safety (harmlessness) is a critical challenge in aligning large language models (LLMs). Current approaches often decouple these two objectives, training separate preference models for helpfulness and safety, while…

Machine Learning · Computer Science 2025-02-28 Xiyue Peng , Hengquan Guo , Jiawei Zhang , Dongqing Zou , Ziyu Shao , Honghao Wei , Xin Liu

Symbolic regression is a fundamental tool for discovering interpretable mathematical expressions from data, with broad applications across scientific and engineering domains. Recently, large language models (LLMs) have demonstrated strong…

Machine Learning · Computer Science 2025-06-06 Runxiang Wang , Boxiao Wang , Kai Li , Yifan Zhang , Jian Cheng

Motivated by the remarkable success of artificial intelligence (AI) across diverse fields, the application of AI to solve scientific problems, often formulated as partial differential equations (PDEs), has garnered increasing attention.…

Machine Learning · Computer Science 2025-10-21 Rohan Bhatnagar , Ling Liang , Krish Patel , Haizhao Yang

Reinforcement learning (RL) is vital for optimizing large language models (LLMs). Recent Group Relative Policy Optimization (GRPO) estimates advantages using multiple on-policy outputs per prompt, leading to high computational costs and low…

Computation and Language · Computer Science 2025-06-12 Siheng Li , Zhanhui Zhou , Wai Lam , Chao Yang , Chaochao Lu

Recently, online Reinforcement Learning with Verifiable Rewards (RLVR) has become a key paradigm for enhancing the reasoning capabilities of Large Language Models (LLMs). However, existing methods typically treat all training samples…

Artificial Intelligence · Computer Science 2025-09-30 Shijie Zhang , Guohao Sun , Kevin Zhang , Xiang Guo , Rujun Guo

Despite their sophisticated general-purpose capabilities, Large Language Models (LLMs) often fail to align with diverse individual preferences because standard post-training methods, like Reinforcement Learning with Human Feedback (RLHF),…

Distilling underlying principles from data has historically driven scientific breakthroughs. However, conventional data-driven machine learning often produces complex models that lack interpretability and generalization due to insufficient…

Materials Science · Physics 2025-07-28 Zhilong Song , Qionghua Zhou , Chunjin Ren , Chongyi Ling , Minggang Ju , Jinlan Wang

While reinforcement learning (RL) has been central to the recent success of large language models (LLMs), RL optimization is notoriously unstable, especially when compared to supervised fine-tuning (SFT). In this work, we investigate the…

Machine Learning · Computer Science 2026-03-03 Hongzhan Chen , Tao Yang , Yuhua Zhu , Shiping Gao , Xiaojun Quan , Ting Yao

We introduce a novel framework, LM-Guided CoT, that leverages a lightweight (i.e., <1B) language model (LM) for guiding a black-box large (i.e., >10B) LM in reasoning tasks. Specifically, the lightweight LM first generates a rationale for…

Computation and Language · Computer Science 2024-04-05 Jooyoung Lee , Fan Yang , Thanh Tran , Qian Hu , Emre Barut , Kai-Wei Chang , Chengwei Su

Active learning (AL) accelerates scientific discovery by prioritizing the most informative experiments, but traditional machine learning (ML) models used in AL suffer from cold-start limitations and domain-specific feature engineering,…

Machine Learning · Computer Science 2025-12-05 Hongchen Wang , Rafael Espinosa Castañeda , Jay R. Werber , Yao Fehlis , Edward Kim , Jason Hattrick-Simpers