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Related papers: MolLangBench: A Comprehensive Benchmark for Langua…

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Recent studies have demonstrated the potential of Large Language Models (LLMs) in generating GPU Kernels. Current benchmarks focus on the translation of high-level languages into CUDA, overlooking the more general and challenging task of…

Machine Learning · Computer Science 2026-03-04 Jiace Zhu , Wentao Chen , Qi Fan , Zhixing Ren , Junying Wu , Xing Zhe Chai , Chotiwit Rungrueangwutthinon , Yehan Ma , An Zou

Recent advancements in AI agents have demonstrated their growing potential to drive and support scientific discovery. In this work, we introduce MLR-Bench, a comprehensive benchmark for evaluating AI agents on open-ended machine learning…

Machine Learning · Computer Science 2025-10-23 Hui Chen , Miao Xiong , Yujie Lu , Wei Han , Ailin Deng , Yufei He , Jiaying Wu , Yibo Li , Yue Liu , Bryan Hooi

Large Language Models (LLMs) have made significant strides in front-end code generation. However, existing benchmarks exhibit several critical limitations: many tasks are overly simplistic, test cases often lack rigor, and end-to-end…

Software Engineering · Computer Science 2025-06-19 Hongda Zhu , Yiwen Zhang , Bing Zhao , Jingzhe Ding , Siyao Liu , Tong Liu , Dandan Wang , Yanan Liu , Zhaojian Li

Evaluating the performance of Multi-modal Large Language Models (MLLMs), integrating both point cloud and language, presents significant challenges. The lack of a comprehensive assessment hampers determining whether these models truly…

Computer Vision and Pattern Recognition · Computer Science 2024-04-24 Junjie Zhang , Tianci Hu , Xiaoshui Huang , Yongshun Gong , Dan Zeng

Molecular representation learning is crucial for the problem of molecular property prediction, where graph neural networks (GNNs) serve as an effective solution due to their structure modeling capabilities. Since labeled data is often…

Machine Learning · Computer Science 2023-09-26 Cameron Diao , Kaixiong Zhou , Zirui Liu , Xiao Huang , Xia Hu

To meet the ever-increasing demand for computational efficiency, Neural Processing Units (NPUs) have become critical in modern AI infrastructure. However, unlocking their full potential requires developing high-performance compute kernels…

AI agents could accelerate scientific discovery by automating hypothesis formation, experiment design, coding, execution, and analysis, yet existing benchmarks probe narrow skills in simplified settings. To address this gap, we introduce…

As the mathematical capabilities of large language models (LLMs) improve, it becomes increasingly important to evaluate their performance on research-level tasks at the frontier of mathematical knowledge. However, existing benchmarks are…

While real-world applications increasingly demand intricate scene manipulation, existing instruction-guided image editing benchmarks often oversimplify task complexity and lack comprehensive, fine-grained instructions. To bridge this gap,…

Computer Vision and Pattern Recognition · Computer Science 2026-03-27 Bohan Jia , Wenxuan Huang , Yuntian Tang , Junbo Qiao , Jincheng Liao , Shaosheng Cao , Fei Zhao , Zhaopeng Feng , Zhouhong Gu , Zhenfei Yin , Lei Bai , Wanli Ouyang , Lin Chen , Fei Zhao , Yao Hu , Zihan Wang , Yuan Xie , Shaohui Lin

Multi-view understanding, the ability to reconcile visual information across diverse viewpoints for effective navigation, manipulation, and 3D scene comprehension, is a fundamental challenge in Multi-Modal Large Language Models (MLLMs) to…

Computer Vision and Pattern Recognition · Computer Science 2025-04-29 Chun-Hsiao Yeh , Chenyu Wang , Shengbang Tong , Ta-Ying Cheng , Ruoyu Wang , Tianzhe Chu , Yuexiang Zhai , Yubei Chen , Shenghua Gao , Yi Ma

Molecule discovery is a pivotal research field, impacting everything from medicine to materials. Recently, Large Language Models (LLMs) have been widely adopted in molecular understanding and generation, serving as a bridge between the…

Computation and Language · Computer Science 2026-04-29 Jiatong Li , Yunqing Liu , Wei Liu , Jingdi Le , Di Zhang , Wenqi Fan , Dongzhan Zhou , Yuqiang Li , Qing Li

Large language model (LLM) agents have demonstrated remarkable potential in advancing scientific discovery. However, their capability in the fundamental yet crucial task of reproducing code from research papers, especially in the NLP…

Although artificial intelligence (AI) has made significant progress in understanding molecules in a wide range of fields, existing models generally acquire the single cognitive ability from the single molecular modality. Since the hierarchy…

Machine Learning · Computer Science 2022-09-14 Bing Su , Dazhao Du , Zhao Yang , Yujie Zhou , Jiangmeng Li , Anyi Rao , Hao Sun , Zhiwu Lu , Ji-Rong Wen

With the rapid advancement of Generative AI technology, Multimodal Large Language Models(MLLMs) have the potential to act as AI software engineers capable of executing complex web application development. Considering that the model requires…

Computation and Language · Computer Science 2025-06-10 Zhiyu Lin , Zhengda Zhou , Zhiyuan Zhao , Tianrui Wan , Yilun Ma , Junyu Gao , Xuelong Li

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

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…

Molecular machine learning has been maturing rapidly over the last few years. Improved methods and the presence of larger datasets have enabled machine learning algorithms to make increasingly accurate predictions about molecular…

While various models and computational tools have been proposed for structure and property analysis of molecules, generating molecules that conform to all desired structures and properties remains a challenge. Here, we introduce a…

Computation and Language · Computer Science 2024-10-11 Peng Zhou , Jianmin Wang , Chunyan Li , Zixu Wang , Yiping Liu , Siqi Sun , Jianxin Lin , Leyi Wei , Xibao Cai , Houtim Lai , Wei Liu , Longyue Wang , Yuansheng Liu , Xiangxiang Zeng

Built on the power of LLMs, numerous multimodal large language models (MLLMs) have recently achieved remarkable performance on various vision-language tasks. However, most existing MLLMs and benchmarks primarily focus on single-image input…

Computer Vision and Pattern Recognition · Computer Science 2024-10-10 Haowei Liu , Xi Zhang , Haiyang Xu , Yaya Shi , Chaoya Jiang , Ming Yan , Ji Zhang , Fei Huang , Chunfeng Yuan , Bing Li , Weiming Hu

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
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