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Related papers: RamanBench: A Large-Scale Benchmark for Machine Le…

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Despite impressive advances in large language models (LLMs), existing benchmarks often focus on single-turn or single-step tasks, failing to capture the kind of iterative reasoning required in real-world settings. To address this…

Computation and Language · Computer Science 2025-11-26 Yiran Zhang , Mo Wang , Xiaoyang Li , Kaixuan Ren , Chencheng Zhu , Usman Naseem

We introduce AInsteinBench, a large-scale benchmark for evaluating whether large language model (LLM) agents can operate as scientific computing development agents within real research software ecosystems. Unlike existing scientific…

Alignment has become a critical step for instruction-tuned Large Language Models (LLMs) to become helpful assistants. However, the effective evaluation of alignment for emerging Chinese LLMs is still largely unexplored. To fill in this gap,…

Large Language Models (LLMs) have achieved remarkable progress in recent years, driving their adoption across a wide range of domains, including computer security. In reverse engineering, LLMs are increasingly applied to critical tasks such…

Cryptography and Security · Computer Science 2026-05-01 Jun Yeon Won , Xin Jin , Shiqing Ma , Zhiqiang Lin

Recent advances in large language models (LLMs) have enabled the emergence of general-purpose agents for automating end-to-end machine learning (ML) workflows, including data analysis, feature engineering, model training, and competition…

Artificial Intelligence · Computer Science 2025-09-12 Hangyi Jia , Yuxi Qian , Hanwen Tong , Xinhui Wu , Lin Chen , Feng Wei

This study investigates the current landscape and future directions of protein foundation model research. While recent advancements have transformed protein science and engineering, the field lacks a comprehensive benchmark for fair…

Biomolecules · Quantitative Biology 2025-06-19 Zhangyang Gao , Hao Wang , Cheng Tan , Chenrui Xu , Mengdi Liu , Bozhen Hu , Linlin Chao , Xiaoming Zhang , Stan Z. Li

Medical report interpretation plays a crucial role in healthcare, enabling both patient-facing explanations and effective information flow across clinical systems. While recent vision-language models (VLMs) and large language models (LLMs)…

Computer Vision and Pattern Recognition · Computer Science 2025-08-26 Fangxin Shang , Yuan Xia , Dalu Yang , Yahui Wang , Binglin Yang

Empirical and LLM-based research in model-driven engineering increasingly relies on datasets of software models, for instance, to train or evaluate machine learning techniques for modeling support. These datasets have a significant impact…

Software Engineering · Computer Science 2026-03-06 Philipp-Lorenz Glaser , Lola Burgueño , Dominik Bork

Can the rapid advances in code generation, function calling, and data analysis using large language models (LLMs) help automate the search and verification of hypotheses purely from a set of provided datasets? To evaluate this question, we…

Tandem mass spectrometry provides a high-throughput framework for identifying and quantifying proteins in complex biological samples. In computational proteomics, predicting peptide MS/MS spectra is a critical task, enabling downstream…

Machine Learning · Computer Science 2026-05-05 Zhiwen Yang , Pan Liu , Yifan Li , Yunhua Zhong , Jun Xia

Breakthroughs in frontier theory often depend on the combination of concrete diagrammatic notations with rigorous logic. While multimodal large language models (MLLMs) show promise in general scientific tasks, current benchmarks often focus…

Artificial Intelligence · Computer Science 2026-04-07 Zeyu Wang , Xiaogang Li , Peiyao Xiao , Qinhao Kong , Ben Wang , Chengliang Xu , Zichao Chen , Bing Zhao , Hu Wei

Existing spectral benchmarks are limited in scale, modality alignment, and evaluation scope, and typically focus on either specialized models or multimodal language models (MLLMs). We introduce SpecX, a large-scale benchmark for multi-modal…

Image and Video Processing · Electrical Eng. & Systems 2026-05-20 Chengrui Xiang , Tengfei Ma , Yujie Chen , Tong Wang , Haowen Chen , Xiangxiang Zeng

Existing works increasingly adopt memory-centric mechanisms to process long contexts in a segment manner, and effective memory management is one of the key capabilities that enables large language models to effectively propagate information…

Computation and Language · Computer Science 2026-01-27 Zecheng Tang , Baibei Ji , Ruoxi Sun , Haitian Wang , WangJie You , Zhang Yijun , Wenpeng Zhu , Ji Qi , Juntao Li , Min Zhang

To assist in the development of machine learning methods for automated classification of spectroscopic data, we have generated a universal synthetic dataset that can be used for model validation. This dataset contains artificial spectra…

Machine Learning · Computer Science 2022-06-15 Jan Schuetzke , Nathan J. Szymanski , Markus Reischl

A critical yet frequently overlooked challenge in the field of deepfake detection is the lack of a standardized, unified, comprehensive benchmark. This issue leads to unfair performance comparisons and potentially misleading results.…

Computer Vision and Pattern Recognition · Computer Science 2023-10-31 Zhiyuan Yan , Yong Zhang , Xinhang Yuan , Siwei Lyu , Baoyuan Wu

Raman spectroscopy is a powerful experimental technique for characterizing molecules and materials that is used in many laboratories. First-principles theoretical calculations of Raman spectra are important because they elucidate the…

Materials Science · Physics 2025-06-25 David A. Egger , Manuel Grumet , Tomáš Bučko

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

Multimodal LLMs (MLLMs) are capable of performing complex data analysis, visual question answering, generation, and reasoning tasks. However, their ability to analyze biometric data is relatively underexplored. In this work, we investigate…

Computer Vision and Pattern Recognition · Computer Science 2026-04-14 Ekta Gavas , Sudipta Banerjee , Chinmay Hegde , Nasir Memon

With the rapid advancement of generative artificial intelligence, large language models (LLMs) are increasingly adopted in industrial domains, offering new opportunities for Prognostics and Health Management (PHM). These models help address…

Artificial Intelligence · Computer Science 2025-08-05 Puyu Yang , Laifa Tao , Zijian Huang , Haifei Liu , Wenyan Cao , Hao Ji , Jianan Qiu , Qixuan Huang , Xuanyuan Su , Yuhang Xie , Jun Zhang , Shangyu Li , Chen Lu , Zhixuan Lian

Large language models (LLMs) have shown potential in assisting scientific research, yet their ability to discover high-quality research hypotheses remains unexamined due to the lack of a dedicated benchmark. To address this gap, we…

Computation and Language · Computer Science 2026-04-21 Yujie Liu , Zonglin Yang , Tong Xie , Jinjie Ni , Ben Gao , Yuqiang Li , Shixiang Tang , Wanli Ouyang , Erik Cambria , Dongzhan Zhou