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CO2 reduction requires efficient catalysts, yet materials discovery remains bottlenecked by 10-20 year development cycles requiring deep domain expertise. This paper demonstrates how large language models can assist the catalyst discovery…

Materials Science · Physics 2026-03-18 AI Scientists , Xinyi Lin , Danqing Yin , Ying Guo

The advancement of Large Language Models (LLMs) has significantly boosted performance in natural language processing (NLP) tasks. However, the deployment of high-performance LLMs incurs substantial costs, primarily due to the increased…

Machine Learning · Computer Science 2024-03-22 Saehan Jo , Immanuel Trummer

Large Language Models (LLMs) have shown great potential in the biomedical domain with the advancement of retrieval-augmented generation (RAG). However, existing retrieval-augmented approaches face challenges in addressing diverse queries…

Computation and Language · Computer Science 2024-10-17 Minda Hu , Licheng Zong , Hongru Wang , Jingyan Zhou , Jingjing Li , Yichen Gao , Kam-Fai Wong , Yu Li , Irwin King

Recent advances in Large Language Models (LLMs) demonstrate that chain-of-thought prompting and deep reasoning substantially enhance performance on complex tasks, and multi-agent systems can further improve accuracy by enabling model…

Artificial Intelligence · Computer Science 2025-10-16 Zehui Ling , Deshu Chen , Yichi Zhang , Yuchen Liu , Xigui Li , Xin Guo , Yuan Cheng

Large language models (LLMs) are increasingly deployed in agentic frameworks, in which prompts trigger complex tool-based analysis in pursuit of a goal. While these frameworks have shown promise across multiple domains including in finance,…

Statistical Finance · Quantitative Finance 2025-07-14 Dimitrios Emmanoulopoulos , Ollie Olby , Justin Lyon , Namid R. Stillman

Recent advancements in Large Language Models (LLMs) have significantly improved their problem-solving capabilities. However, these models still struggle when faced with complex multi-step reasoning tasks. In this paper, we propose the…

Computation and Language · Computer Science 2025-12-04 André de Souza Loureiro , Jorge Valverde-Rebaza , Julieta Noguez , David Escarcega , Ricardo Marcacini

Large language models (LLMs) exhibit remarkable problem-solving abilities, but struggle with complex tasks due to static internal knowledge. Retrieval-Augmented Generation (RAG) enhances access to external information, yet remains limited…

Large language models (LLMs) have demonstrated impressive capabilities in reasoning with the emergence of reasoning models like OpenAI-o1 and DeepSeek-R1. Recent research focuses on integrating reasoning capabilities into the realm of…

Computation and Language · Computer Science 2025-05-26 Qi Zhang , Shouqing Yang , Lirong Gao , Hao Chen , Xiaomeng Hu , Jinglei Chen , Jiexiang Wang , Sheng Guo , Bo Zheng , Haobo Wang , Junbo Zhao

We study whether self-learning can scale LLM-based agents without relying on human-curated datasets or predefined rule-based rewards. Through controlled experiments in a search-agent setting, we identify two key determinants of scalable…

Artificial Intelligence · Computer Science 2025-10-22 Wangtao Sun , Xiang Cheng , Jialin Fan , Yao Xu , Xing Yu , Shizhu He , Jun Zhao , Kang Liu

The static ``train then deploy" paradigm fundamentally limits Large Language Models (LLMs) from dynamically adapting their weights in response to continuous streams of new information inherent in real-world tasks. Test-Time Training (TTT)…

Machine Learning · Computer Science 2026-04-08 Guhao Feng , Shengjie Luo , Kai Hua , Ge Zhang , Di He , Wenhao Huang , Tianle Cai

Large Language Models (LLMs) consistently benefit from scaled Chain-of-Thought (CoT) reasoning, but also suffer from heavy computational overhead. To address this issue, efficient reasoning aims to incentivize short yet accurate thinking…

Computation and Language · Computer Science 2026-03-23 Taiqiang Wu , Zenan Xu , Bo Zhou , Ngai Wong

Large language models (LLMs) are reshaping automated fact-checking (AFC) by enabling unified, end-to-end verification pipelines rather than isolated components. While large proprietary models achieve strong performance, their closed…

Computation and Language · Computer Science 2026-01-19 Malin Astrid Larsson , Harald Fosen Grunnaleite , Vinay Setty

Current large-language models (LLMs) typically adopt a fixed reasoning strategy, either simple or complex, for all questions, regardless of their difficulty. This neglect of variation in task and reasoning process complexity leads to an…

Computation and Language · Computer Science 2025-05-27 Yi Wang , Junxiao Liu , Shimao Zhang , Jiajun Chen , Shujian Huang

Enabling LLMs to improve their outputs by using more test-time computation is a critical step towards building generally self-improving agents that can operate on open-ended natural language. In this paper, we study the scaling of…

Machine Learning · Computer Science 2024-08-07 Charlie Snell , Jaehoon Lee , Kelvin Xu , Aviral Kumar

Tabular foundation models are becoming increasingly popular for low-resource tabular problems. These models make up for small training datasets by pretraining on large volumes of synthetic data. The prior knowledge obtained via pretraining…

Machine Learning · Computer Science 2026-05-18 George Yakushev , Alina Shutova , Ivan Rubachev , Natalia Bereberdina , Renat Sergazinov , Artem Babenko

The current focus of AI research is shifting from emphasizing model training towards enhancing evaluation quality, a transition that is crucial for driving further advancements in AI systems. Traditional evaluation methods typically rely on…

Machine Learning · Computer Science 2025-05-20 Chi-Min Chan , Chunpu Xu , Jiaming Ji , Zhen Ye , Pengcheng Wen , Chunyang Jiang , Yaodong Yang , Wei Xue , Sirui Han , Yike Guo

While Large Language Models (LLMs) excel in language-based agentic tasks, their applicability to unseen, nonlinguistic environments (e.g., symbolic or spatial tasks) remains limited. Previous work attributes this performance gap to the…

Artificial Intelligence · Computer Science 2026-02-03 Haoyu Wang , Guozheng Ma , Shugang Cui , Yilun Kong , Haotian Luo , Li Shen , Mengya Gao , Yichao Wu , Xiaogang Wang , Dacheng Tao

Fact-checking real-world claims, particularly numerical claims, is inherently complex that require multistep reasoning and numerical reasoning for verifying diverse aspects of the claim. Although large language models (LLMs) including…

Computation and Language · Computer Science 2025-09-29 Primakov Chungkham , V Venktesh , Vinay Setty , Avishek Anand

Recent advances in inference-time scaling, particularly those leveraging reinforcement learning with verifiable rewards, have substantially enhanced the reasoning capabilities of Large Vision-Language Models (LVLMs). Inspired by this…

Computer Vision and Pattern Recognition · Computer Science 2025-10-13 Yifan Li , Zhenghao Chen , Ziheng Wu , Kun Zhou , Ruipu Luo , Can Zhang , Zhentao He , Yufei Zhan , Wayne Xin Zhao , Minghui Qiu

Current inference scaling methods, such as Self-consistency and Best-of-N, have proven effective in improving the accuracy of LLMs on complex reasoning tasks. However, these methods rely heavily on the quality of candidate responses and are…

Computation and Language · Computer Science 2025-06-17 Bohan Zhang , Xiaokang Zhang , Jing Zhang , Jifan Yu , Sijia Luo , Jie Tang