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General-purpose large language models (LLMs) that rely on in-context learning do not reliably deliver the scientific understanding and performance required for drug discovery tasks. Simply increasing model size or introducing reasoning…

With the rapid advancement of large language models (LLMs), extensive research has been conducted to investigate the code generation capabilities of LLMs. However, existing efforts primarily focus on general-domain tasks, leaving LLMs' code…

Software Engineering · Computer Science 2025-03-18 Dewu Zheng , Yanlin Wang , Ensheng Shi , Xilin Liu , Yuchi Ma , Hongyu Zhang , Zibin Zheng

Advances in large language models (LLMs) have encouraged their adoption in the healthcare domain where vital clinical information is often contained in unstructured notes. Cancer staging status is available in clinical reports, but it…

Computation and Language · Computer Science 2024-08-30 Chia-Hsuan Chang , Mary M. Lucas , Yeawon Lee , Christopher C. Yang , Grace Lu-Yao

Large language models (LLMs) have demonstrated strong performance in general-purpose machine translation, but their effectiveness in complex, domain-sensitive translation tasks remains underexplored. Recent advancements in Large Reasoning…

Computation and Language · Computer Science 2025-05-27 Yongshi Ye , Biao Fu , Chongxuan Huang , Yidong Chen , Xiaodong Shi

Finite-state reasoning, the ability to understand and implement state-dependent behavior, is central to hardware design. In this paper, we present LLM-FSM, a benchmark that evaluates how well large language models (LLMs) can recover…

Artificial Intelligence · Computer Science 2026-02-10 Yuheng Wu , Berk Gokmen , Zhouhua Xie , Peijing Li , Caroline Trippel , Priyanka Raina , Thierry Tambe

Predictive modeling often faces challenges due to limited data availability and quality, especially in domains where collected features are weakly correlated with outcomes and where additional feature collection is constrained by ethical or…

Machine Learning · Computer Science 2024-10-08 Bingxuan Li , Pengyi Shi , Amy Ward

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

Pre-trained on extensive text and image corpora, current Multi-Modal Large Language Models (MLLM) have shown strong capabilities in general visual reasoning tasks. However, their performance is still lacking in physical domains that require…

Artificial Intelligence · Computer Science 2025-07-04 Erle Zhu , Yadi Liu , Zhe Zhang , Xujun Li , Jin Zhou , Xinjie Yu , Minlie Huang , Hongning Wang

Large language models (LLMs) have emerged as transformative tools in medicine, with strong capabilities in language understanding, reasoning, and structured information extraction. Radiation oncology is particularly well suited for LLM…

Large language models (LLMs) have demonstrated their remarkable performance across various language understanding tasks. While emerging benchmarks have been proposed to evaluate LLMs in various domains such as mathematics and computer…

Artificial Intelligence · Computer Science 2024-10-28 Junnan Dong , Zijin Hong , Yuanchen Bei , Feiran Huang , Xinrun Wang , Xiao Huang

Large Language Models (LLMs) have demonstrated remarkable progress in reasoning across diverse domains. However, effective reasoning in real-world tasks requires adapting the reasoning strategy to the demands of the problem, ranging from…

Computation and Language · Computer Science 2025-08-19 Xinda Jia , Jinpeng Li , Zezhong Wang , Jingjing Li , Xingshan Zeng , Yasheng Wang , Weinan Zhang , Yong Yu , Weiwen Liu

Large language models (LLMs) increasingly rely on reinforcement learning (RL) to enhance their reasoning capabilities through feedback. A critical challenge is verifying the consistency of model-generated responses and reference answers,…

Artificial Intelligence · Computer Science 2025-07-29 Xuzhao Li , Xuchen Li , Shiyu Hu , Yongzhen Guo , Wentao Zhang

Large Language Models (LLMs) have demonstrated remarkable abilities in scientific reasoning, yet their reasoning capabilities in materials science remain underexplored. To fill this gap, we introduce MatSciBench, a comprehensive…

Artificial Intelligence · Computer Science 2025-10-15 Junkai Zhang , Jingru Gan , Xiaoxuan Wang , Zian Jia , Changquan Gu , Jianpeng Chen , Yanqiao Zhu , Mingyu Derek Ma , Dawei Zhou , Ling Li , Wei Wang

The field of catalysis holds paramount importance in shaping the trajectory of sustainable development, prompting intensive research efforts to leverage artificial intelligence (AI) in catalyst design. Presently, the fine-tuning of…

Machine Learning · Computer Science 2024-05-29 Ludi Wang , Xueqing Chen , Yi Du , Yuanchun Zhou , Yang Gao , Wenjuan Cui

Large-language models (LLMs) have been shown to respond in a variety of ways for classification tasks outside of question-answering. LLM responses are sometimes called "hallucinations" since the output is not what is ex pected. Memorization…

Computation and Language · Computer Science 2025-12-16 John E. Ortega , Dhruv D. Joshi , Matt P. Borkowski

Despite their remarkable natural language understanding capabilities, Large Language Models (LLMs) have been underutilized for retrieval tasks. We present Search-R3, a novel framework that addresses this limitation by adapting LLMs to…

Computation and Language · Computer Science 2026-04-10 Yuntao Gui , James Cheng

With the rapid advancement of semiconductor technology, Electronic Design Automation (EDA) has become an increasingly knowledge-intensive and document-driven engineering domain. Although large language models (LLMs) have shown strong…

Machine Learning · Computer Science 2026-05-01 Lei Li , Xingwen Yu , Jianguo Ni , Junxuan Zhu , Jieqiong Zhang , Jian Zhao , Zhi Liu

Large Language Models (LLMs) have achieved remarkable success across a wide range of natural language tasks, and recent efforts have sought to extend their capabilities to multimodal domains and resource-constrained environments. However,…

Machine Learning · Computer Science 2025-05-26 Yun-Da Tsai

Large Language Models (LLMs) have emerged as powerful tools for automating complex reasoning and decision-making tasks. In telecommunications, they hold the potential to transform network optimization, automate troubleshooting, enhance…

Integrating large language models (LLMs) with knowledge graphs derived from domain-specific data represents an important advancement towards more powerful and factual reasoning. As these models grow more capable, it is crucial to enable…

Artificial Intelligence · Computer Science 2024-04-19 Stefan Dernbach , Khushbu Agarwal , Alejandro Zuniga , Michael Henry , Sutanay Choudhury
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