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Goal-oriented de novo molecule design, namely generating molecules with specific property or substructure constraints, is a crucial yet challenging task in drug discovery. Existing methods, such as Bayesian optimization and reinforcement…

Computational Engineering, Finance, and Science · Computer Science 2025-02-28 Chuanliu Fan , Ziqiang Cao , Zicheng Ma , Nan Yu , Yimin Peng , Jun Zhang , Yiqin Gao , Guohong Fu

The rapid evolution of Multimodal Large Language Models (MLLMs) has brought substantial advancements in artificial intelligence, significantly enhancing the capability to understand and generate multimodal content. While prior studies have…

Artificial Intelligence · Computer Science 2024-09-30 Lin Li , Guikun Chen , Hanrong Shi , Jun Xiao , Long Chen

The advancement of large language models (LLMs) has significantly broadened the scope of applications in natural language processing, with multi-modal LLMs extending these capabilities to integrate and interpret visual data. However,…

Computer Vision and Pattern Recognition · Computer Science 2024-06-19 Bingchen Zhao , Yongshuo Zong , Letian Zhang , Timothy Hospedales

Current Large Language Models (LLMs) for understanding proteins primarily treats amino acid sequences as a text modality. Meanwhile, Protein Language Models (PLMs), such as ESM-2, have learned massive sequential evolutionary knowledge from…

Machine Learning · Computer Science 2024-12-17 Nuowei Liu , Changzhi Sun , Tao Ji , Junfeng Tian , Jianxin Tang , Yuanbin Wu , Man Lan

Large Language Models (LLMs) are being explored for applications in scientific research, including their capabilities to synthesize literature, answer research questions, generate research ideas, and even conduct computational experiments.…

Vision-language models (VLMs) have made substantial progress across a wide range of visual question answering benchmarks, spanning visual reasoning, document understanding, and multimodal dialogue. These improvements are evident in a wide…

Computer Vision and Pattern Recognition · Computer Science 2026-02-23 Dhruba Ghosh , Yuhui Zhang , Ludwig Schmidt

Assessing the aesthetic quality of graphic design is central to visual communication, yet remains underexplored in vision language models (VLMs). We investigate whether VLMs can evaluate design aesthetics in ways comparable to humans. Prior…

Computer Vision and Pattern Recognition · Computer Science 2026-03-03 Arctanx An , Shizhao Sun , Danqing Huang , Mingxi Cheng , Yan Gao , Ji Li , Yu Qiao , Jiang Bian

Evaluating the alignment capabilities of large Vision-Language Models (VLMs) is essential for determining their effectiveness as helpful assistants. However, existing benchmarks primarily focus on basic abilities using nonverbal methods,…

Computation and Language · Computer Science 2025-06-05 Yuhang Wu , Wenmeng Yu , Yean Cheng , Yan Wang , Xiaohan Zhang , Jiazheng Xu , Ming Ding , Yuxiao Dong

Front-end engineering involves a complex workflow where engineers conceptualize designs, translate them into code, and iteratively refine the implementation. While recent benchmarks primarily focus on converting visual designs to code, we…

Computation and Language · Computer Science 2025-05-27 Haoyu Sun , Huichen Will Wang , Jiawei Gu , Linjie Li , Yu Cheng

Natural language processing (NLP) has significantly influenced scientific domains beyond human language, including protein engineering, where pre-trained protein language models (PLMs) have demonstrated remarkable success. However,…

Computation and Language · Computer Science 2025-03-20 Yang Tan , Chen Liu , Jingyuan Gao , Banghao Wu , Mingchen Li , Ruilin Wang , Lingrong Zhang , Huiqun Yu , Guisheng Fan , Liang Hong , Bingxin Zhou

Structure-based protein design has attracted increasing interest, with numerous methods being introduced in recent years. However, a universally accepted method for evaluation has not been established, since the wet-lab validation can be…

Quantitative Methods · Quantitative Biology 2023-12-04 Chuanrui Wang , Bozitao Zhong , Zuobai Zhang , Narendra Chaudhary , Sanchit Misra , Jian Tang

Large vision-language models (VLMs) have recently achieved remarkable progress, exhibiting impressive multimodal perception and reasoning abilities. However, effectively evaluating these large VLMs remains a major challenge, hindering…

Computer Vision and Pattern Recognition · Computer Science 2024-08-21 Yuan Liu , Haodong Duan , Yuanhan Zhang , Bo Li , Songyang Zhang , Wangbo Zhao , Yike Yuan , Jiaqi Wang , Conghui He , Ziwei Liu , Kai Chen , Dahua Lin

Recent advances in de novo protein binder design have enabled increasing experimental validation, yet reported in silico metrics remain difficult to interpret or compare across studies due to non-standardized evaluation protocols. We…

Quantitative Methods · Quantitative Biology 2026-05-25 Cong Liu , Milong Ren , Jiaqi Guan , Chengyue Gong , Jinyuan Sun , Xinshi Chen , Wenzhi Xiao

Reading measurement instruments is effortless for humans and requires relatively little domain expertise, yet it remains surprisingly challenging for current vision-language models (VLMs) as we find in preliminary evaluation. In this work,…

Computer Vision and Pattern Recognition · Computer Science 2026-03-25 Fenfen Lin , Yesheng Liu , Haiyu Xu , Chen Yue , Zheqi He , Mingxuan Zhao , Miguel Hu Chen , Jiakang Liu , JG Yao , Xi Yang

Large Language Models (LLMs) are revolutionizing bioinformatics, enabling advanced analysis of DNA, RNA, proteins, and single-cell data. This survey provides a systematic review of recent advancements, focusing on genomic sequence modeling,…

Computation and Language · Computer Science 2026-03-03 Zhenyu Wang , Zikang Wang , Jiyue Jiang , Pengan Chen , Xiangyu Shi , Yu Li

Rapid advances in language models (LMs) have created new opportunities for automated code generation while complicating trade-offs between model characteristics and prompt design choices. In this work, we provide an empirical map of recent…

Hardware Architecture · Computer Science 2026-04-14 Luca Collini , Andrew Hennesee , Patrick Yubeaton , Siddharth Garg , Ramesh Karri

Recent advances in large language models (LLMs) and vision-language models (LVLMs) have shown promise across many tasks, yet their scientific reasoning capabilities remain untested, particularly in multimodal settings. We present…

Machine Learning · Computer Science 2025-06-03 Xinwu Ye , Chengfan Li , Siming Chen , Wei Wei , Xiangru Tang

Evaluating the robustness of Large Vision-Language Models (LVLMs) is essential for their continued development and responsible deployment in real-world applications. However, existing robustness benchmarks typically focus on hallucination…

Computer Vision and Pattern Recognition · Computer Science 2026-05-28 Huiyi Chen , Jiawei Peng , Dehai Min , Changchang Sun , Kaijie Chen , Yan Yan , Xu Yang , Lu Cheng

Generative modeling has become a central paradigm in protein research, extending machine learning beyond structure prediction toward sequence design, backbone generation, inverse folding, and biomolecular interaction modeling. However, the…

Machine Learning · Computer Science 2026-03-30 Senura Hansaja Wanasekara , Minh-Duong Nguyen , Xiaochen Liu , Nguyen H. Tran , Ken-Tye Yong

A plethora of protein language models have been released in recent years. Yet comparatively little work has addressed how to best sample from them to optimize desired biological properties. We fill this gap by proposing a flexible,…

Machine Learning · Computer Science 2026-05-08 Calvin McCarter , Nick Bhattacharya , Sebastian W. Ober , Hunter Elliott