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Task automation has been greatly empowered by the recent advances in Large Language Models (LLMs) via Python code, where the tasks ranging from software engineering development to general-purpose reasoning. While current benchmarks have…

While showing impressive performance on various kinds of learning tasks, it is yet unclear whether deep learning models have the ability to robustly tackle reasoning tasks. than by learning the underlying reasoning process that is actually…

机器学习 · 计算机科学 2022-10-06 Andrea Valenti , Davide Bacciu , Antonio Vergari

Uncertainty quantification enables users to assess the reliability of responses generated by large language models (LLMs). We present a novel Question Rephrasing technique to evaluate the input uncertainty of LLMs, which refers to the…

计算与语言 · 计算机科学 2024-08-08 Zizhang Chen , Pengyu Hong , Sandeep Madireddy

Modern optimization in experimental chemistry employs algorithmic search through black-box parameter spaces. Here we demonstrate that pre-trained knowledge in large language models (LLMs) fundamentally changes this paradigm. Using six fully…

机器学习 · 计算机科学 2025-10-29 Robert MacKnight , Jose Emilio Regio , Jeffrey G. Ethier , Luke A. Baldwin , Gabe Gomes

The evaluation of Large Language Models (LLMs) on mathematical reasoning has largely focused on elementary problems, competition-style questions, or formal theorem proving, leaving graduate-level and computational mathematics relatively…

计算与语言 · 计算机科学 2026-03-05 Bianca Raimondi , Francesco Pivi , Davide Evangelista , Maurizio Gabbrielli

Large language models (LLMs) show increasing potential in education, yet benchmarks for non-English languages in specialized domains remain scarce. We introduce MedBench-IT, the first comprehensive benchmark for evaluating LLMs on Italian…

计算与语言 · 计算机科学 2025-09-10 Ruggero Marino Lazzaroni , Alessandro Angioi , Michelangelo Puliga , Davide Sanna , Roberto Marras

Scientific problem-solving involves synthesizing information while applying expert knowledge. We introduce CURIE, a scientific long-Context Understanding,Reasoning and Information Extraction benchmark to measure the potential of Large…

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…

The modeling of bio-molecular system across molecular scales remains a central challenge in scientific research. Large language models (LLMs) are increasingly applied to bio-molecular discovery, yet systematic evaluation across multi-scale…

机器学习 · 计算机科学 2026-04-07 Yaxin Xu , Yue Zhou , Tianyu Zhao , Fengwei An , Zhixiang Ren

Logical reasoning consistently plays a fundamental and significant role in the domains of knowledge engineering and artificial intelligence. Recently, Large Language Models (LLMs) have emerged as a noteworthy innovation in natural language…

计算与语言 · 计算机科学 2024-09-17 Fangzhi Xu , Qika Lin , Jiawei Han , Tianzhe Zhao , Jun Liu , Erik Cambria

This study is a pioneering endeavor to investigate the capabilities of Large Language Models (LLMs) in addressing conceptual questions within the domain of mechanical engineering with a focus on mechanics. Our examination involves a…

Large language models (LLMs) have revolutionized many areas (e.g. natural language processing, software engineering, etc.) by achieving state-of-the-art performance on extensive downstream tasks. Aiming to achieve robust and general…

人工智能 · 计算机科学 2024-01-18 Zhiming Li , Yushi Cao , Xiufeng Xu , Junzhe Jiang , Xu Liu , Yon Shin Teo , Shang-wei Lin , Yang Liu

Large Language Models (LLMs) excel in handling general knowledge tasks, yet they struggle with user-specific personalization, such as understanding individual emotions, writing styles, and preferences. Personalized Large Language Models…

人工智能 · 计算机科学 2025-09-23 Jiahong Liu , Zexuan Qiu , Zhongyang Li , Quanyu Dai , Wenhao Yu , Jieming Zhu , Minda Hu , Menglin Yang , Tat-Seng Chua , Irwin King

The financial industry's growing demand for advanced natural language processing (NLP) capabilities has highlighted the limitations of generalist large language models (LLMs) in handling domain-specific financial tasks. To address this gap,…

Large language models (LLMs) have shown promising potential in scientific research, enabling tasks ranging from knowledge retrieval to property prediction. Existing science benchmarks mainly focus on perceptual or knowledge-based tasks,…

Large Language Models (LLMs) are transforming scholarly tasks like search and summarization, but their reliability remains uncertain. Current evaluation metrics for testing LLM reliability are primarily automated approaches that prioritize…

人机交互 · 计算机科学 2026-02-25 Anna Martin-Boyle , William Humphreys , Martha Brown , Cara Leckey , Harmanpreet Kaur

In recent years, the rapid advancement of Large Language Models (LLMs) has transformed the landscape of scientific research, offering unprecedented support across various stages of the research cycle. This paper presents the first…

计算与语言 · 计算机科学 2025-01-09 Ziming Luo , Zonglin Yang , Zexin Xu , Wei Yang , Xinya Du

Accurate molecular property prediction is a critical challenge with wide-ranging applications in chemistry, materials science, and drug discovery. Molecular representation methods, including fingerprints and graph neural networks (GNNs),…

机器学习 · 计算机科学 2025-08-13 Jiaxin Ju , Yizhen Zheng , Huan Yee Koh , Can Wang , Shirui Pan

Evaluating progress in large language models (LLMs) is often constrained by the challenge of verifying responses, limiting assessments to tasks like mathematics, programming, and short-form question-answering. However, many real-world…

计算与语言 · 计算机科学 2026-05-19 Zhilin Wang , Jaehun Jung , Ximing Lu , Shizhe Diao , Ellie Evans , Jiaqi Zeng , Pavlo Molchanov , Yejin Choi , Jan Kautz , Yi Dong

Large Multimodal Models (LMMs) are increasingly applied to scientific research, yet it remains unclear whether they can reliably understand and reason over the multimodal complexity of papers. A central challenge lies in detecting and…

计算机视觉与模式识别 · 计算机科学 2026-02-17 Lukas Selch , Yufang Hou , M. Jehanzeb Mirza , Sivan Doveh , James Glass , Rogerio Feris , Wei Lin