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In recent years, significant progress has been made in the field of protein function prediction with the development of various machine-learning approaches. However, most existing methods formulate the task as a multi-classification…

Quantitative Methods · Quantitative Biology 2024-04-23 Hadi Abdine , Michail Chatzianastasis , Costas Bouyioukos , Michalis Vazirgiannis

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

Reasoning over multiple modalities, e.g. in Visual Question Answering (VQA), requires an alignment of semantic concepts across domains. Despite the widespread success of end-to-end learning, today's multimodal pipelines by and large…

Computer Vision and Pattern Recognition · Computer Science 2021-09-10 Jan-Martin O. Steitz , Jonas Pfeiffer , Iryna Gurevych , Stefan Roth

The remarkable success of Large Language Models (LLMs) across diverse tasks has driven the research community to extend their capabilities to molecular applications. However, most molecular LLMs employ adapter-based architectures that do…

Computation and Language · Computer Science 2025-06-24 Shuhan Guo , Yatao Bian , Ruibing Wang , Nan Yin , Zhen Wang , Quanming Yao

The great success of Large Language Models (LLMs) has expanded the potential of multimodality, contributing to the gradual evolution of General Artificial Intelligence (AGI). A true AGI agent should not only possess the capability to…

Computer Vision and Pattern Recognition · Computer Science 2023-10-03 Yuying Ge , Sijie Zhao , Ziyun Zeng , Yixiao Ge , Chen Li , Xintao Wang , Ying Shan

Autoregressive image modeling relies on visual tokenizers to compress images into compact latent representations. We design an end-to-end training pipeline that jointly optimizes reconstruction and generation, enabling direct supervision…

Computer Vision and Pattern Recognition · Computer Science 2026-05-05 Wenda Chu , Bingliang Zhang , Jiaqi Han , Yizhuo Li , Linjie Yang , Yisong Yue , Qiushan Guo

Inferring the structural properties of a protein from its amino acid sequence is a challenging yet important problem in biology. Structures are not known for the vast majority of protein sequences, but structure is critical for…

Machine Learning · Computer Science 2019-10-17 Tristan Bepler , Bonnie Berger

Classifying protein topology is essential for deciphering biological function, but progress is held back by the lack of large-scale benchmarks that avoid duplicates and by models that do not scale well. We introduce TEDBench, a large-scale,…

Machine Learning · Computer Science 2026-05-19 Dexiong Chen , Andrei Manolache , Mathias Niepert , Karsten Borgwardt

Large Multimodal Models (LMMs) are powerful tools that are capable of reasoning and understanding multimodal information beyond text and language. Despite their entrenched impact, the development of LMMs is hindered by the higher…

Computer Vision and Pattern Recognition · Computer Science 2025-03-07 Vittorio Pippi , Matthieu Guillaumin , Silvia Cascianelli , Rita Cucchiara , Maximilian Jaritz , Loris Bazzani

Large protein language models are adept at capturing the underlying evolutionary information in primary structures, offering significant practical value for protein engineering. Compared to natural language models, protein amino acid…

Computation and Language · Computer Science 2023-10-27 Yang Tan , Mingchen Li , Pan Tan , Ziyi Zhou , Huiqun Yu , Guisheng Fan , Liang Hong

Generating novel and functional protein sequences is critical to a wide range of applications in biology. Recent advancements in conditional diffusion models have shown impressive empirical performance in protein generation tasks. However,…

Machine Learning · Computer Science 2025-12-04 Zinan Ling , Yi Shi , Brett McKinney , Da Yan , Yang Zhou , Bo Hui

Skeletonization extracts thin representations from images that compactly encode their geometry and topology. These representations have become an important topological prior for preserving connectivity in curvilinear structures, aiding…

Image and Video Processing · Electrical Eng. & Systems 2025-03-11 Luis D. Reyes Vargas , Martin J. Menten , Johannes C. Paetzold , Nassir Navab , Mohammad Farid Azampour

High throughput sequencing techniques have highly impactedon modern biology, widening the gap between sequenced andannotated data. Automatic annotation tools are thereforeof the foremost importance to guide biologists' experiments. However,…

Machine Learning · Statistics 2016-10-02 Luca Masera

Predicting the structure of multi-protein complexes is a grand challenge in biochemistry, with major implications for basic science and drug discovery. Computational structure prediction methods generally leverage pre-defined structural…

Biomolecules · Quantitative Biology 2021-01-26 Stephan Eismann , Raphael J. L. Townshend , Nathaniel Thomas , Milind Jagota , Bowen Jing , Ron O. Dror

Text-and-Image-To-Image (TI2I), an extension of Text-To-Image (T2I), integrates image inputs with textual instructions to enhance image generation. Existing methods often partially utilize image inputs, focusing on specific elements like…

Computer Vision and Pattern Recognition · Computer Science 2025-03-20 Teng-Fang Hsiao , Bo-Kai Ruan , Yi-Lun Wu , Tzu-Ling Lin , Hong-Han Shuai

SE(3)-based generative models have shown great promise in protein geometry modeling and effective structure design. However, the field currently lacks a modularized benchmark to enable comprehensive investigation and fair comparison of…

Machine Learning · Computer Science 2025-07-29 Lang Yu , Zhangyang Gao , Cheng Tan , Qin Chen , Jie Zhou , Liang He

Masked image modeling (MIM) has demonstrated impressive results in self-supervised representation learning by recovering corrupted image patches. However, most existing studies operate on low-level image pixels, which hinders the…

Computer Vision and Pattern Recognition · Computer Science 2022-10-04 Zhiliang Peng , Li Dong , Hangbo Bao , Qixiang Ye , Furu Wei

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

Visual generative models based on latent space have achieved great success, underscoring the significance of visual tokenization. Mapping images to latents boosts efficiency and enables multimodal alignment for scaling up in downstream…

Computer Vision and Pattern Recognition · Computer Science 2026-03-18 Yunpeng Qu , Kaidong Zhang , Yukang Ding , Ying Chen , Jian Wang

Existing biomedical benchmarks do not provide end-to-end infrastructure for training, evaluation, and inference of models that integrate multimodal biological data and a broad range of machine learning tasks in therapeutics. We present…

Machine Learning · Computer Science 2026-01-23 Alejandro Velez-Arce , Jesus Caraballo , Marinka Zitnik