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Proteins interact to form complexes to carry out essential biological functions. Computational methods have been developed to predict the structures of protein complexes. However, an important challenge in protein complex structure…

Machine Learning · Computer Science 2022-05-24 Xiao Chen , Alex Morehead , Jian Liu , Jianlin Cheng

The advancement of the Natural Language Processing field has enabled the development of language models with a great capacity for generating text. In recent years, Neuroscience has been using these models to better understand cognitive…

Neurons and Cognition · Quantitative Biology 2024-10-01 Bruno Bianchi , Alfredo Umfurer , Juan Esteban Kamienkowski

Large language models (LLMs) have shown remarkable performance in vision-language tasks, but their application in the medical field remains underexplored, particularly for integrating structured time series data with unstructured clinical…

Computation and Language · Computer Science 2025-06-17 Shuai Niu , Jing Ma , Hongzhan Lin , Liang Bai , Zhihua Wang , Wei Bi , Yida Xu , Guo Li , Xian Yang

Geometric deep learning has recently achieved great success in non-Euclidean domains, and learning on 3D structures of large biomolecules is emerging as a distinct research area. However, its efficacy is largely constrained due to the…

Machine Learning · Computer Science 2023-10-31 Fang Wu , Lirong Wu , Dragomir Radev , Jinbo Xu , Stan Z. Li

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

Machine learning (ML) is revolutionizing protein structural analysis, including an important subproblem of predicting protein residue contact maps, i.e., which amino-acid residues are in close spatial proximity given the amino-acid sequence…

Quantitative Methods · Quantitative Biology 2022-12-23 Kuang Liu , Rajiv K. Kalia , Xinlian Liu , Aiichiro Nakano , Ken-ichi Nomura , Priya Vashishta , Rafael Zamora-Resendizc

Unified multimodal generation architectures that jointly produce text and images have recently emerged as a promising direction for text-to-image (T2I) synthesis. However, many existing systems rely on explicit modality switching,…

Understanding the relationships between protein sequence, structure and function is a long-standing biological challenge with manifold implications from drug design to our understanding of evolution. Recently, protein language models have…

Quantitative Methods · Quantitative Biology 2024-01-29 Dexiong Chen , Philip Hartout , Paolo Pellizzoni , Carlos Oliver , Karsten Borgwardt

Graph generation is a critical task in numerous domains, including molecular design and social network analysis, due to its ability to model complex relationships and structured data. While most modern graph generative models utilize…

Machine Learning · Computer Science 2025-06-04 Xiaohui Chen , Yinkai Wang , Jiaxing He , Yuanqi Du , Soha Hassoun , Xiaolin Xu , Li-Ping Liu

Most existing vision-language pre-training methods focus on understanding tasks and use BERT-like objectives (masked language modeling and image-text matching) during pretraining. Although they perform well in many understanding downstream…

Computer Vision and Pattern Recognition · Computer Science 2021-12-16 Tianyi Liu , Zuxuan Wu , Wenhan Xiong , Jingjing Chen , Yu-Gang Jiang

Expressing natural language descriptions of structured facts or relations -- data-to-text generation (D2T) -- increases the accessibility of structured knowledge repositories. Previous work shows that pre-trained language models(PLMs)…

Computation and Language · Computer Science 2022-05-24 Moniba Keymanesh , Adrian Benton , Mark Dredze

Pre-trained protein models (PTPMs) represent a protein with one fixed embedding and thus are not capable for diverse tasks. For example, protein structures can shift, namely protein folding, between several conformations in various…

Artificial Intelligence · Computer Science 2022-02-08 Qiang Zhang , Zeyuan Wang , Yuqiang Han , Haoran Yu , Xurui Jin , Huajun Chen

How far are we really from automatically generating neural networks? While neural network weight generation shows promise, current approaches struggle with generalization to unseen tasks and practical application exploration. To address…

Machine Learning · Computer Science 2025-08-20 Bowen Tian , Wenshuo Chen , Zexi Li , Songning Lai , Jiemin Wu , Yutao Yue

In this study, we tackle the challenging task of predicting secondary structures from protein primary sequences, a pivotal initial stride towards predicting tertiary structures, while yielding crucial insights into protein activity,…

Machine Learning · Computer Science 2025-11-18 Disha Varshney , Samarth Garg , Sarthak Tyagi , Deeksha Varshney , Nayan Deep , Asif Ekbal

Large language models (LLMs) are widely applied in various natural language processing tasks such as question answering and machine translation. However, due to the lack of labeled data and the difficulty of manual annotation for…

Artificial Intelligence · Computer Science 2026-05-27 Xuan Lin , Long Chen , Yile Wang , Yangyang Chen , Xiangxiang Zeng

We propose a method to fuse frozen text-only large language models (LLMs) with pre-trained image encoder and decoder models, by mapping between their embedding spaces. Our model demonstrates a wide suite of multimodal capabilities: image…

Computation and Language · Computer Science 2023-10-16 Jing Yu Koh , Daniel Fried , Ruslan Salakhutdinov

Modern therapeutic antibody design often involves composing multi-part assemblages of individual functional domains, each of which may be derived from a different source or engineered independently. While these complex formats can expand…

Machine Learning · Computer Science 2025-09-25 Jiayi Xin , Aniruddh Raghu , Nick Bhattacharya , Adam Carr , Melanie Montgomery , Hunter Elliott

Graph neural networks (GNNs) have emerged as powerful models for learning representations of graph data showing state of the art results in various tasks. Nevertheless, the superiority of these methods is usually supported by either…

Machine Learning · Computer Science 2024-11-22 Tianqi Zhao , Megha Khosla

We present \textsc{Vx2Text}, a framework for text generation from multimodal inputs consisting of video plus text, speech, or audio. In order to leverage transformer networks, which have been shown to be effective at modeling language, each…

Computer Vision and Pattern Recognition · Computer Science 2021-02-02 Xudong Lin , Gedas Bertasius , Jue Wang , Shih-Fu Chang , Devi Parikh , Lorenzo Torresani

The rapid advancement of generative models has significantly enhanced the realism and customization of digital content creation. The increasing power of these tools, coupled with their ease of access, fuels the creation of photorealistic…

Computer Vision and Pattern Recognition · Computer Science 2024-08-01 Francesco Laiti , Benedetta Liberatori , Thomas De Min , Elisa Ricci