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The integration of slow-thinking mechanisms into large language models (LLMs) offers a promising way toward achieving Level 2 AGI Reasoners, as exemplified by systems like OpenAI's o1. However, several significant challenges remain,…

Computation and Language · Computer Science 2025-02-10 Xiao-Wen Yang , Xuan-Yi Zhu , Wen-Da Wei , Ding-Chu Zhang , Jie-Jing Shao , Zhi Zhou , Lan-Zhe Guo , Yu-Feng Li

An important open question in the use of large language models for knowledge-intensive tasks is how to effectively integrate knowledge from three sources: the model's parametric memory, external structured knowledge, and external…

Computation and Language · Computer Science 2024-04-03 Xin Su , Tiep Le , Steven Bethard , Phillip Howard

Recent advances in large language models (LLMs) have significantly improved multi-hop question answering (QA) through direct Chain-of-Thought (CoT) reasoning. However, the irreversible nature of CoT leads to error accumulation, making it…

Artificial Intelligence · Computer Science 2025-05-30 Xinjie Zhao , Fan Gao , Xingyu Song , Yingjian Chen , Rui Yang , Yanran Fu , Yuyang Wang , Yusuke Iwasawa , Yutaka Matsuo , Irene Li

Large Language Models (LLMs) have shown remarkable capabilities in general natural language processing tasks but often fall short in complex reasoning tasks. Recent studies have explored human-like problem-solving strategies, such as…

Computation and Language · Computer Science 2023-12-19 Zhenran Xu , Senbao Shi , Baotian Hu , Jindi Yu , Dongfang Li , Min Zhang , Yuxiang Wu

The startling success of ChatGPT and other large language models (LLMs) using transformer-based generative neural network architecture in applications such as natural language processing and image synthesis has many researchers excited…

Artificial Intelligence · Computer Science 2024-11-05 Venkat Venkatasubramanian , Arijit Chakraborty

Large Language Models (LLMs) have revolutionized natural language processing, yet they struggle with inconsistent reasoning, particularly in novel domains and complex logical sequences. This research introduces Proof of Thought, a framework…

Artificial Intelligence · Computer Science 2024-10-24 Debargha Ganguly , Srinivasan Iyengar , Vipin Chaudhary , Shivkumar Kalyanaraman

Electronic Health Records (EHRs) play an important role in the healthcare system. However, their complexity and vast volume pose significant challenges to data interpretation and analysis. Recent advancements in Artificial Intelligence…

A common approach for teaching large language models (LLMs) to reason is to train on chain-of-thought (CoT) traces of in-distribution reasoning problems, but such annotated data is costly to obtain for every problem of interest. We want…

Computation and Language · Computer Science 2025-05-29 Fangcong Yin , Zeyu Leo Liu , Liu Leqi , Xi Ye , Greg Durrett

Chemical large language models (LLMs) predominantly rely on explicit Chain-of-Thought (CoT) in natural language to perform complex reasoning. However, chemical reasoning is inherently continuous and structural, and forcing it into discrete…

Recent progress in Large Reasoning Models (LRMs) has significantly enhanced the reasoning abilities of Large Language Models (LLMs), empowering them to tackle increasingly complex tasks through reflection capabilities, such as making…

Computation and Language · Computer Science 2025-06-26 Jianghao Chen , Zhenlin Wei , Zhenjiang Ren , Ziyong Li , Jiajun Zhang

Applications of machine learning in chemistry are often limited by the scarcity and expense of labeled data, restricting traditional supervised methods. In this work, we introduce a framework for molecular reasoning using general-purpose…

Large Language Models (LLMs) excel at many tasks, yet they struggle to produce truly creative, diverse ideas. In this paper, we introduce a novel approach that enhances LLM creativity. We apply LLMs for translating between natural language…

Computation and Language · Computer Science 2025-09-30 Moran Mizrahi , Chen Shani , Gabriel Stanovsky , Dan Jurafsky , Dafna Shahaf

Large language models (LLMs) have emerged as powerful tools in chemistry, significantly impacting molecule design, property prediction, and synthesis optimization. This review highlights LLM capabilities in these domains and their potential…

Machine Learning · Computer Science 2024-11-18 Mayk Caldas Ramos , Christopher J. Collison , Andrew D. White

Recent large language models (LLMs) have shown indications of mathematical reasoning ability on challenging competition-level problems, especially with self-generated verbalizations of intermediate reasoning steps (i.e., chain-of-thought…

Computation and Language · Computer Science 2024-06-11 Yujun Mao , Yoon Kim , Yilun Zhou

Retrieval-Augmented Generation (RAG) has been shown to enhance the factual accuracy of Large Language Models (LLMs), but existing methods often suffer from limited reasoning capabilities in effectively using the retrieved evidence,…

Computation and Language · Computer Science 2024-10-03 Shayekh Bin Islam , Md Asib Rahman , K S M Tozammel Hossain , Enamul Hoque , Shafiq Joty , Md Rizwan Parvez

Atomized chemical knowledge, such as functional group information of molecules and reactions, plays a pivotal intermediate role in the reasoning process that connects molecular structures with their properties and reactivities. While large…

Computational Engineering, Finance, and Science · Computer Science 2026-04-15 Zihan Zhao , Ziping Wan , Lu Chen , Xuanze Lin , Shiyang Yu , Situo Zhang , Da Ma , Zichen Zhu , Danyang Zhang , Huayang Wang , Zhongyang Dai , Liyang Wen , Bo Chen , Xin Chen , Kai Yu

We present a novel benchmark designed to rigorously evaluate the capabilities of large language models (LLMs) in mathematical reasoning and algorithmic code synthesis tasks. The benchmark comprises integer sequence generation tasks sourced…

Machine Learning · Computer Science 2025-11-11 Daniel O'Malley , Manish Bhattarai , Nishath Rajiv Ranasinghe , Erick Draayer , Javier Santos

In knowledge-intensive tasks, especially in high-stakes domains like medicine and law, it is critical not only to retrieve relevant information but also to provide causal reasoning and explainability. Large language models (LLMs) have…

Artificial Intelligence · Computer Science 2025-03-18 Hang Luo , Jian Zhang , Chujun Li

Recent generations of language models have introduced Large Reasoning Models (LRMs) that generate detailed thinking processes before providing answers. While these models demonstrate improved performance on reasoning benchmarks, their…

Artificial Intelligence · Computer Science 2025-11-21 Parshin Shojaee , Iman Mirzadeh , Keivan Alizadeh , Maxwell Horton , Samy Bengio , Mehrdad Farajtabar

Large Language Models (LLMs) have shown proficiency in question-answering tasks but often struggle to integrate real-time knowledge, leading to potentially outdated or inaccurate responses. This problem becomes even more challenging when…

Computation and Language · Computer Science 2024-08-15 Yucheng Shi , Qiaoyu Tan , Xuansheng Wu , Shaochen Zhong , Kaixiong Zhou , Ninghao Liu
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