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Deep learning has advanced mass spectrometry data interpretation, yet most models remain feature extractors rather than unified scoring frameworks. We present pUniFind, the first large-scale multimodal pre-trained model in proteomics that…

Foundation models have shown remarkable capabilities in various domains, but their performance on complex, multimodal engineering problems remains largely unexplored. We introduce SoM-1K, the first large-scale multimodal benchmark dataset…

Computation and Language · Computer Science 2025-09-26 Qixin Wan , Zilong Wang , Jingwen Zhou , Wanting Wang , Ziheng Geng , Jiachen Liu , Ran Cao , Minghui Cheng , Lu Cheng

In contrast to their remarkable performance on general knowledge QA, the true abilities of Large Language Models (LLMs) in tasks demanding deep, specialized reasoning, such as in protein biology, have yet to be thoroughly investigated.…

Quantitative Methods · Quantitative Biology 2025-12-30 Dingyi Rong , Zijian Chen , Qi Jia , Kaiwei Zhang , Haotian Lu , Guangtao Zhai , Ning Liu

Large-scale first principles molecular dynamics are crucial for simulating complex processes in chemical, biomedical, and materials sciences. However, the unfavorable time complexity with respect to system sizes leads to prohibitive…

Significant advancements has recently been achieved in the field of multi-modal large language models (MLLMs), demonstrating their remarkable capabilities in understanding and reasoning across diverse tasks. However, these models are often…

Computation and Language · Computer Science 2024-08-06 Zhaowei Li , Wei Wang , YiQing Cai , Xu Qi , Pengyu Wang , Dong Zhang , Hang Song , Botian Jiang , Zhida Huang , Tao Wang

In recent years, pretraining models have made significant advancements in the fields of natural language processing (NLP), computer vision (CV), and life sciences. The significant advancements in NLP and CV are predominantly driven by the…

Machine Learning · Computer Science 2024-07-02 Xiaohong Ji , Zhen Wang , Zhifeng Gao , Hang Zheng , Linfeng Zhang , Guolin Ke , Weinan E

The human ability to seamlessly perform multimodal reasoning and physical interaction in the open world is a core goal for general purpose embodied intelligent systems. Recent vision-language-action (VLA) models, which are co-trained on…

Reward models play an essential role in training vision-language models (VLMs) by assessing output quality to enable aligning with human preferences. Despite their importance, the research community lacks comprehensive open benchmarks for…

Computer Vision and Pattern Recognition · Computer Science 2025-02-21 Michihiro Yasunaga , Luke Zettlemoyer , Marjan Ghazvininejad

Recent works on large language models (LLMs) have successfully demonstrated the emergence of reasoning capabilities via reinforcement learning (RL). Although recent efforts leverage group relative policy optimization (GRPO) for MLLMs…

Computation and Language · Computer Science 2025-06-18 Shilin Xu , Yanwei Li , Rui Yang , Tao Zhang , Yueyi Sun , Wei Chow , Linfeng Li , Hang Song , Qi Xu , Yunhai Tong , Xiangtai Li , Hao Fei

Fueled by their remarkable ability to tackle diverse tasks across multiple domains, large language models (LLMs) have grown at an unprecedented rate, with some recent models containing trillions of parameters. This growth is accompanied by…

Machine Learning · Computer Science 2025-05-30 Athanasios Glentis , Jiaxiang Li , Qiulin Shang , Andi Han , Ioannis Tsaknakis , Quan Wei , Mingyi Hong

Multimodal Large Language Models struggle to maintain reliable performance under extreme real-world visual degradations, which impede their practical robustness. Existing robust MLLMs predominantly rely on implicit training/adaptation that…

Computer Vision and Pattern Recognition · Computer Science 2025-12-22 Jiaqi Tang , Jianmin Chen , Wei Wei , Xiaogang Xu , Runtao Liu , Xiangyu Wu , Qipeng Xie , Jiafei Wu , Lei Zhang , Qifeng Chen

Recently, Vision-Language Models (VLMs) have achieved remarkable progress in multimodal tasks, and multimodal instruction data serves as the foundation for enhancing VLM capabilities. Despite the availability of several open-source…

Universal Machine Learning Interatomic Potentials (uMLIPs), pre-trained on massively diverse datasets encompassing inorganic materials and organic molecules across the entire periodic table, serve as foundational models for quantum-accurate…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-04-20 Yuanchang Zhou , Hongyu Wang , Yiming Du , Yan Wang , Mingzhen Li , Siyu Hu , Xiangyu Zhang , Weijian Liu , Chen Wang , Zhuoqiang Guo , Long Wang , Jingde Bu , Yutong Lu , Guangming Tan , Weile Jia

Following its success for vision and text, the "foundation model" (FM) paradigm -- pretraining large models on massive data, then fine-tuning on target tasks -- has rapidly expanded to domains in the sciences, engineering, healthcare, and…

Machine Learning · Computer Science 2025-03-24 Zongzhe Xu , Ritvik Gupta , Wenduo Cheng , Alexander Shen , Junhong Shen , Ameet Talwalkar , Mikhail Khodak

Recent advancements in Multimodal Large Language Models (MLLMs) underscore the significance of scalable models and data to boost performance, yet this often incurs substantial computational costs. Although the Mixture of Experts (MoE)…

Artificial Intelligence · Computer Science 2024-05-21 Yunxin Li , Shenyuan Jiang , Baotian Hu , Longyue Wang , Wanqi Zhong , Wenhan Luo , Lin Ma , Min Zhang

Clinical MRI encompasses diverse imaging protocols--spanning anatomical targets (cardiac, brain, knee), contrasts (T1, T2, mapping), sampling patterns (Cartesian, radial, spiral, kt-space), and acceleration factors--yet current deep…

Computer Vision and Pattern Recognition · Computer Science 2026-03-13 Puyang Wang , Pengfei Guo , Keyi Chai , Jinyuan Zhou , Daguang Xu , Shanshan Jiang

Tabular reasoning involves multi-step information extraction and logical inference over tabular data. While recent advances have leveraged large language models (LLMs) for reasoning over structured tables, such high-quality textual…

Machine Learning · Computer Science 2025-06-05 Jun-Peng Jiang , Yu Xia , Hai-Long Sun , Shiyin Lu , Qing-Guo Chen , Weihua Luo , Kaifu Zhang , De-Chuan Zhan , Han-Jia Ye

Scientific modeling faces a tradeoff between the interpretability of mechanistic theory and the predictive power of machine learning. While existing hybrid approaches have made progress by incorporating domain knowledge into machine…

Machine Learning · Computer Science 2026-04-15 Carson Dudley , Reiden Magdaleno , Christopher Harding , Marisa Eisenberg

Humans possess spatial reasoning abilities that enable them to understand spaces through multimodal observations, such as vision and sound. Large multimodal reasoning models extend these abilities by learning to perceive and reason, showing…

Deriving governing equations from observational data, known as Symbolic Regression (SR), is a cornerstone of scientific discovery. Large Language Models, (LLMs) have shown promise in this task by leveraging their vast cross-disciplinary…

Computational Engineering, Finance, and Science · Computer Science 2025-10-01 Yingfan Hua , Ruikun Li , Jun Yao , Guohang Zhuang , Shixiang Tang , Bin Liu , Wanli Ouyang , Yan Lu