English
Related papers

Related papers: ChemPro: A Progressive Chemistry Benchmark for Lar…

200 papers

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…

Machine Learning · Computer Science 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…

Computation and Language · Computer Science 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…

Machine Learning · Computer Science 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…

Computation and Language · Computer Science 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…

Computation and Language · Computer Science 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…

Machine Learning · Computer Science 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…

Computation and Language · Computer Science 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…

Computation and Language · Computer Science 2024-01-25 Jie Tian , Jixin Hou , Zihao Wu , Peng Shu , Zhengliang Liu , Yujie Xiang , Beikang Gu , Nicholas Filla , Yiwei Li , Ning Liu , Xianyan Chen , Keke Tang , Tianming Liu , Xianqiao Wang

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…

Artificial Intelligence · Computer Science 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…

Artificial Intelligence · Computer Science 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,…

Statistical Finance · Quantitative Finance 2025-11-13 Gaëtan Caillaut , Raheel Qader , Jingshu Liu , Mariam Nakhlé , Arezki Sadoune , Massinissa Ahmim , Jean-Gabriel Barthelemy

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…

Human-Computer Interaction · Computer Science 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…

Computation and Language · Computer Science 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),…

Machine Learning · Computer Science 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…

Computation and Language · Computer Science 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…

Computer Vision and Pattern Recognition · Computer Science 2026-02-17 Lukas Selch , Yufang Hou , M. Jehanzeb Mirza , Sivan Doveh , James Glass , Rogerio Feris , Wei Lin