中文
相关论文

相关论文: Aligning Reasoning LLMs for Materials Discovery wi…

200 篇论文

Reasoning methods that adaptively allocate test-time compute have advanced LLM performance on easy to verify domains such as math and code. In this work, we study how to utilize this approach to train models that exhibit a degree of…

机器学习 · 计算机科学 2025-10-28 Taeyoun Kim , Fahim Tajwar , Aditi Raghunathan , Aviral Kumar

A recurring pattern in "reasoning without training" is that base LLMs already assign non-trivial probability mass to correct multi-step solutions; the bottleneck is locating these modes efficiently at inference time. Power sampling provides…

人工智能 · 计算机科学 2026-05-13 Tu Nguyen , Matthieu Zimmer , Rasul Tutunov , Xiaotong Ji , Haitham Bou Ammar

Mathematical reasoning in large language models has improved substantially with reinforcement learning using verifiable rewards, where final answers can be checked automatically and converted into reliable training signals. Most such…

机器学习 · 计算机科学 2026-04-06 Mohammad Rezaei , Jens Lehmann , Sahar Vahdati

Large reasoning models (LRMs) have recently shown promise in solving complex math problems when optimized with Reinforcement Learning (RL). But conventional approaches rely on outcome-only rewards that provide sparse feedback, resulting in…

机器学习 · 计算机科学 2025-08-01 Tao He , Rongchuan Mu , Lizi Liao , Yixin Cao , Ming Liu , Bing Qin

Large language models (LLMs) achieve higher accuracy on challenging reasoning tasks by scaling test-time compute through multiple trajectory sampling. However, standard aggregation methods like majority voting or individual confidence-based…

机器学习 · 计算机科学 2026-02-04 Yingchuan Zhang , Terry Ma , Wenxuan Zhong , Ping Ma

Machine learning is transforming materials discovery by providing rapid predictions of material properties, which enables large-scale screening for target materials. However, such models require training data. While automated data…

Large language models (LLMs) can already identify patterns and reason effectively, yet their variable accuracy hampers adoption in high-stakes decision-making applications. In this paper, we study this issue from a venture capital…

人工智能 · 计算机科学 2025-10-28 Rick Chen , Joseph Ternasky , Aaron Ontoyin Yin , Xianling Mu , Fuat Alican , Yigit Ihlamur

Process rewards have been widely used in deep reinforcement learning to improve training efficiency, reduce variance, and prevent reward hacking. In LLM reasoning, existing works also explore various solutions for learning effective process…

机器学习 · 计算机科学 2026-05-21 Xian Wu , Kaijie Zhu , Ying Zhang , Lun Wang , Wenbo Guo

Self-Consistency mitigates hallucinations in Large Language Models (LLMs) by sampling multiple reasoning paths,but it lacks a systematic approach to determine the optimal number of samples or select the most faithful rationale. To address…

计算与语言 · 计算机科学 2025-02-05 Guangya Wan , Yuqi Wu , Jie Chen , Sheng Li

Recent work increasingly focuses on improving the reasoning capabilities of Multimodal Large Language Models (MLLMs). Among existing methods, Process Reward Models (PRMs) stand out for offering dense, step-wise supervision to guide…

Large language models (LLMs) have shown remarkable capabilities in dialogue generation and reasoning, yet their effectiveness in eliciting user-known but concealed information in open-ended conversations remains limited. In many interactive…

机器学习 · 计算机科学 2026-04-16 Tao Wang , Jingyao Lu , Xibo Wang , Haonan Huang , Su Yao , Zhiqiang Hu , Xingyan Chen , Enmao Diao

Recent large language models (LLMs) achieve near-saturation accuracy on many established mathematical reasoning benchmarks, raising concerns about their ability to diagnose genuine reasoning competence. This saturation largely stems from…

Large Language Models (LLMs) are increasingly relied upon for solving complex reasoning tasks in domains such as mathematics, logic, and multi-step question answering. A growing line of work seeks to improve reasoning quality by scaling…

机器学习 · 计算机科学 2025-08-05 Seyyed Saeid Cheshmi , Azal Ahmad Khan , Xinran Wang , Zirui Liu , Ali Anwar

Material selection is a crucial step in conceptual design due to its significant impact on the functionality, aesthetics, manufacturability, and sustainability impact of the final product. This study investigates the use of Large Language…

计算与语言 · 计算机科学 2024-05-08 Daniele Grandi , Yash Patawari Jain , Allin Groom , Brandon Cramer , Christopher McComb

External test-time reasoning enhances large language models (LLMs) by decoupling generation and selection. At inference time, the model generates multiple reasoning paths, and an auxiliary process reward model (PRM) is used to score and…

机器学习 · 计算机科学 2025-05-26 Zeen Song , Wenwen Qiang , Siyu Zhao , Changwen Zheng , Gang Hua

Training large reasoning models (LRMs) with reinforcement learning in STEM domains is hindered by the scarcity of high-quality, diverse, and verifiable problem sets. Existing synthesis methods, such as Chain-of-Thought prompting, often…

Large Language Models (LLMs) are often used as automated judges to evaluate text, but their effectiveness can be hindered by various unintentional biases. We propose using linear classifying probes, trained by leveraging differences between…

计算与语言 · 计算机科学 2025-03-25 Sharan Maiya , Yinhong Liu , Ramit Debnath , Anna Korhonen

Preference learning is a widely adopted post-training technique that aligns large language models (LLMs) to human preferences and improves specific downstream task capabilities. In this work we systematically investigate how specific…

计算与语言 · 计算机科学 2024-12-23 Joongwon Kim , Anirudh Goyal , Aston Zhang , Bo Xiong , Rui Hou , Melanie Kambadur , Dhruv Mahajan , Hannaneh Hajishirzi , Liang Tan

Learning from negative samples holds great promise for improving Large Language Model (LLM) reasoning capability, yet existing methods treat all incorrect responses as equally informative, overlooking the crucial role of sample quality. To…

机器学习 · 计算机科学 2026-02-05 Zixiang Di , Jinyi Han , Shuo Zhang , Ying Liao , Zhi Li , Xiaofeng Ji , Yongqi Wang , Zheming Yang , Ming Gao , Bingdong Li , Jie Wang

Large Language Models (LLMs) create exciting possibilities for powerful language processing tools to accelerate research in materials science. While LLMs have great potential to accelerate materials understanding and discovery, they…

材料科学 · 物理学 2024-09-26 Santiago Miret , N M Anoop Krishnan