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Large Language Models (LLMs) excel in diverse areas, yet struggle with complex scientific reasoning, especially in the field of chemistry. Different from the simple chemistry tasks (e.g., molecule classification) addressed in previous…

Computation and Language · Computer Science 2024-02-12 Siru Ouyang , Zhuosheng Zhang , Bing Yan , Xuan Liu , Yejin Choi , Jiawei Han , Lianhui Qin

The advancement of Large Language Models (LLMs) has brought substantial attention to the Chain of Thought (CoT) approach, primarily due to its ability to enhance the capability of LLMs on complex reasoning tasks. Moreover, the significance…

Computation and Language · Computer Science 2024-03-05 Bingshuai Liu , Chenyang Lyu , Zijun Min , Zhanyu Wang , Jinsong Su , Longyue Wang

Large Language Models (LLMs) have demonstrated remarkable performance across multiple tasks through in-context learning. For complex reasoning tasks that require step-by-step thinking, Chain-of-Thought (CoT) prompting has given impressive…

Computation and Language · Computer Science 2024-10-10 Armel Zebaze , Benoît Sagot , Rachel Bawden

This paper presents a novel framework for enhancing reasoning capabilities in large language models (LLMs) by leveraging iterative reasoning and feedback-driven methodologies. Building on the limitations identified in the SimpleBench…

Computation and Language · Computer Science 2024-12-18 Soham Sane , Angus McLean

While researchers have made significant progress in enabling large language models (LLMs) to perform multi-step planning, LLMs struggle to ensure that those plans align with high-level user intent and satisfy symbolic constraints,…

Machine Learning · Computer Science 2026-05-14 Kamel Alrashedy , Vriksha Srihari , Zulfiqar Zaidi , Ridam Srivastava , Pradyumna Tambwekar , Matthew Gombolay

Recent advances in large language models (LLMs) have shown that test-time scaling can substantially improve model performance on complex tasks, particularly in the coding domain. Under this paradigm, models use a larger token budget during…

Artificial Intelligence · Computer Science 2026-04-21 Jiaxin Fang , Runyuan He , Sahil Bhatia , Neel Gajare , Alvin Cheung

The rapid advancement of large language models (LLMs) demands robust, unbiased, and scalable evaluation methods. However, human annotations are costly to scale, model-based evaluations are susceptible to stylistic biases, and…

Tree of Thoughts (ToT) enhances Large Language Model (LLM) reasoning by structuring problem-solving as a spanning tree. However, recent methods focus on search accuracy while overlooking computational efficiency. The challenges of…

Artificial Intelligence · Computer Science 2025-02-28 Yifu Ding , Wentao Jiang , Shunyu Liu , Yongcheng Jing , Jinyang Guo , Yingjie Wang , Jing Zhang , Zengmao Wang , Ziwei Liu , Bo Du , Xianglong Liu , Dacheng Tao

Language models are increasingly being deployed for general problem solving across a wide range of tasks, but are still confined to token-level, left-to-right decision-making processes during inference. This means they can fall short in…

Computation and Language · Computer Science 2023-12-05 Shunyu Yao , Dian Yu , Jeffrey Zhao , Izhak Shafran , Thomas L. Griffiths , Yuan Cao , Karthik Narasimhan

Chain-of-thought (CoT), tree-of-thought (ToT), and related techniques work surprisingly well in practice for some complex reasoning tasks with Large Language Models (LLMs), but why? This work seeks the underlying reasons by conducting…

Artificial Intelligence · Computer Science 2024-06-19 Liwei Kang , Zirui Zhao , David Hsu , Wee Sun Lee

This paper addresses two limitations of large language models (LLMs) in solving complex problems: (1) their reasoning processes exhibit Bayesian-like stochastic generation, where each token is sampled from a context-dependent probability…

Artificial Intelligence · Computer Science 2026-04-20 Lei Lin , Jizhao Zhu , Yong Liu , Donghong Sun , Hongbo He , Yihua Du

Large Language Models (LLMs) have been shown to achieve breakthrough performance on complex logical reasoning tasks. Nevertheless, most existing research focuses on employing formal language to guide LLMs to derive reliable reasoning paths,…

Computation and Language · Computer Science 2025-05-23 Jin Jiang , Jianing Wang , Yuchen Yan , Yang Liu , Jianhua Zhu , Mengdi Zhang , Xunliang Cai , Liangcai Gao

Large language models (LLMs) demonstrate impressive capabilities in mathematical reasoning. However, despite these achievements, current evaluations are mostly limited to specific mathematical topics, and it remains unclear whether LLMs are…

Computation and Language · Computer Science 2025-04-01 Arash Gholami Davoodi , Seyed Pouyan Mousavi Davoudi , Pouya Pezeshkpour

Large language models (LLMs) such as GPT-4 have recently demonstrated impressive results across a wide range of tasks. LLMs are still limited, however, in that they frequently fail at complex reasoning, their reasoning processes are opaque,…

The reasoning performance of Large Language Models (LLMs) on a wide range of problems critically relies on chain-of-thought prompting, which involves providing a few chain of thought demonstrations as exemplars in prompts. Recent work,…

Computation and Language · Computer Science 2025-01-08 Sijia Chen , Baochun Li , Di Niu

Large Language Models (LLMs) have revolutionized natural language processing through their state of art reasoning capabilities. This paper explores the convergence of LLM reasoning techniques and feature generation for machine learning…

Computation and Language · Computer Science 2025-03-21 Dharani Chandra

Chain-of-thought (CoT) reasoning has enabled large language models (LLMs) to utilize additional computation through intermediate tokens to solve complex tasks. However, we posit that typical reasoning traces contain many redundant tokens,…

Computation and Language · Computer Science 2025-06-11 Tergel Munkhbat , Namgyu Ho , Seo Hyun Kim , Yongjin Yang , Yujin Kim , Se-Young Yun

Large Language Models (LLMs) excel at many tasks but often falter on complex problems that require structured, multi-step reasoning. We introduce the Diagram of Thought (DoT), a framework that enables a single LLM to build and navigate a…

Computation and Language · Computer Science 2026-05-15 Yifan Zhang , Yang Yuan , Andrew Chi-Chih Yao

Pretrained large language models (LLMs) are increasingly utilized across a wide range of natural language processing (NLP) tasks due to their impressive capabilities as few-shot learners. Recent techniques, such as chain-of-thought (CoT)…

Machine Learning · Computer Science 2024-12-02 Kamesh R

Large language models (LLMs) excel in complex tasks through advanced prompting techniques like Chain-of-Thought (CoT) and Tree-of-Thought (ToT), but their reliance on manually crafted, task-specific prompts limits adaptability and…

Computation and Language · Computer Science 2025-07-04 Tao Xiong , Xavier Hu , Wenyan Fan , Shengyu Zhang