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Effective code generation with language models hinges on two critical factors: accurately understanding the intent of the prompt and generating code that applies algorithmic reasoning to produce correct solutions capable of passing diverse…

Artificial Intelligence · Computer Science 2025-10-21 Amir Jalilifard , Anderson de Rezende Rocha , Marcos Medeiros Raimundo

Scientific equation discovery is a fundamental task in the history of scientific progress, enabling the derivation of laws governing natural phenomena. Recently, Large Language Models (LLMs) have gained interest for this task due to their…

Computation and Language · Computer Science 2025-06-10 Parshin Shojaee , Ngoc-Hieu Nguyen , Kazem Meidani , Amir Barati Farimani , Khoa D Doan , Chandan K Reddy

Recent LLMs have demonstrated sophisticated problem-solving capabilities on various benchmarks through advanced reasoning algorithms. However, the key research question of identifying reasoning steps that balance complexity and…

Artificial Intelligence · Computer Science 2025-11-12 Po-Chung Hsieh , Chin-Po Chen , Jeng-Lin Li , Ming-Ching Chang

Recent advancements in large language models (LLMs) have demonstrated remarkable reasoning capabilities through long chain-of-thought (CoT) reasoning. The R1 distillation scheme has emerged as a promising approach for training…

Artificial Intelligence · Computer Science 2025-03-21 Yijia Luo , Yulin Song , Xingyao Zhang , Jiaheng Liu , Weixun Wang , GengRu Chen , Wenbo Su , Bo Zheng

Despite deep learning's success in chemistry, its impact is hindered by a lack of interpretability and an inability to resolve activity cliffs, where minor structural nuances trigger drastic property shifts. Current representation learning,…

Machine Learning · Computer Science 2026-03-26 Xiangsen Chen , Ruilong Wu , Yanyan Lan , Ting Ma , Yang Liu

The rapid advancements in large Language models (LLMs) have significantly enhanced their reasoning capabilities, driven by various strategies such as multi-agent collaboration. However, unlike the well-established performance improvements…

Artificial Intelligence · Computer Science 2026-04-23 Zihan Chen , Song Wang , Zhen Tan , Xingbo Fu , Zhenyu Lei , Peng Wang , Huan Liu , Cong Shen , Jundong Li

Diffusion large language models (dLLMs) are promising alternatives to autoregressive large language models (AR-LLMs), as they potentially allow higher inference throughput. Reinforcement learning (RL) is a crucial component for dLLMs to…

Machine Learning · Computer Science 2026-02-24 Yuchen Zhu , Wei Guo , Jaemoo Choi , Petr Molodyk , Bo Yuan , Molei Tao , Yongxin Chen

Most of the existing Large Language Model (LLM) benchmarks on scientific problem reasoning focus on problems grounded in high-school subjects and are confined to elementary algebraic operations. To systematically examine the reasoning…

Computation and Language · Computer Science 2024-07-01 Xiaoxuan Wang , Ziniu Hu , Pan Lu , Yanqiao Zhu , Jieyu Zhang , Satyen Subramaniam , Arjun R. Loomba , Shichang Zhang , Yizhou Sun , Wei Wang

Masked diffusion language models (MDLMs) are trained to in-fill positions in randomly masked sequences, in contrast to next-token prediction models. Discussions around MDLMs focus on two benefits: (1) any-order decoding and 2) multi-token…

Machine Learning · Computer Science 2025-10-24 Zachary Horvitz , Raghav Singhal , Hao Zou , Carles Domingo-Enrich , Zhou Yu , Rajesh Ranganath , Kathleen McKeown

Recent advances in large language models (LLMs) have shown remarkable progress, yet their capacity for logical ``slow-thinking'' reasoning persists as a critical research frontier. Current inference scaling paradigms suffer from two…

Computation and Language · Computer Science 2025-03-21 Jinyi Liu , Yan Zheng , Rong Cheng , Qiyu Wu , Wei Guo , Fei Ni , Hebin Liang , Yifu Yuan , Hangyu Mao , Fuzheng Zhang , Jianye Hao

Optimizing the structure of molecules to achieve desired properties is a central bottleneck across the chemical sciences, particularly in the pharmaceutical industry where it underlies the discovery of new drugs. Since molecular property…

Artificial Intelligence · Computer Science 2026-02-19 Fabian P. Krüger , Andrea Hunklinger , Adrian Wolny , Tim J. Adler , Igor Tetko , Santiago David Villalba

Assessing the reasoning ability of Large Language Models (LLMs) over data remains an open and pressing research question. Compared with LLMs, human reasoning can derive corresponding modifications to the output based on certain kinds of…

Machine Learning · Computer Science 2025-11-21 Yifan Li , Qin Li , Min Zhang , Min Zhang

The paper introduces a framework for the evaluation of the encoding of factual scientific knowledge, designed to streamline the manual evaluation process typically conducted by domain experts. Inferring over and extracting information from…

Computation and Language · Computer Science 2024-10-21 Magdalena Wysocka , Oskar Wysocki , Maxime Delmas , Vincent Mutel , Andre Freitas

Logical reasoning is a fundamental aspect of human intelligence and an essential capability for multimodal large language models (MLLMs). Despite the significant advancement in multimodal reasoning, existing benchmarks fail to…

Artificial Intelligence · Computer Science 2025-05-28 Jiakang Yuan , Tianshuo Peng , Yilei Jiang , Yiting Lu , Renrui Zhang , Kaituo Feng , Chaoyou Fu , Tao Chen , Lei Bai , Bo Zhang , Xiangyu Yue

Integrating large language models (LLMs) like DeepSeek R1 into healthcare requires rigorous evaluation of their reasoning alignment with clinical expertise. This study assesses DeepSeek R1's medical reasoning against expert patterns using…

Computation and Language · Computer Science 2025-04-02 Birger Moell , Fredrik Sand Aronsson , Sanian Akbar

Large language models (LLMs) have been shown to be capable of impressive few-shot generalisation to new tasks. However, they still tend to perform poorly on multi-step logical reasoning problems. Here we carry out a comprehensive evaluation…

Artificial Intelligence · Computer Science 2022-05-20 Antonia Creswell , Murray Shanahan , Irina Higgins

Recent advances in vision-language models (VLMs) have achieved remarkable performance on standard medical benchmarks, yet their true clinical reasoning ability remains unclear. Existing datasets predominantly emphasize classification…

Computer Vision and Pattern Recognition · Computer Science 2026-05-20 Miao Jing , Mengting Jia , Junling Lin , Zhongxia Shen , Huan Gao , Mingkun Xu , Shangyang Li

The emergence of Large Language Models (LLMs) has fundamentally transformed natural language processing, making them indispensable across domains ranging from conversational systems to scientific exploration. However, their pre-trained…

Large Reasoning Models (LRMs) have shown impressive capabilities in multi-step reasoning tasks. However, alongside these successes, a more deceptive form of model error has emerged--Reasoning Hallucination--where logically coherent but…

Artificial Intelligence · Computer Science 2025-05-20 Zhongxiang Sun , Qipeng Wang , Haoyu Wang , Xiao Zhang , Jun Xu

Despite the dramatic progress in Large Language Model (LLM) development, LLMs often provide seemingly plausible but not factual information, often referred to as hallucinations. Retrieval-augmented LLMs provide a non-parametric approach to…

Computation and Language · Computer Science 2023-11-09 Sai Munikoti , Anurag Acharya , Sridevi Wagle , Sameera Horawalavithana
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