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Motivation: Understanding functions of proteins in specific human tissues is essential for insights into disease diagnostics and therapeutics, yet prediction of tissue-specific cellular function remains a critical challenge for biomedicine.…

Machine Learning · Computer Science 2017-07-18 Marinka Zitnik , Jure Leskovec

Proteins are the basic building blocks of life. They usually perform functions by folding to a particular structure. Understanding the folding process could help the researchers to understand the functions of proteins and could also help to…

Computational Engineering, Finance, and Science · Computer Science 2015-10-21 Jianzhu Ma

Accurate identification of protein binding sites is crucial for understanding biomolecular interaction mechanisms and for the rational design of drug targets. Traditional predictive methods often struggle to balance prediction accuracy with…

Machine Learning · Computer Science 2026-01-06 Weisen Yang , Hanqing Zhang , Wangren Qiu , Xuan Xiao , Weizhong Lin

Direct preference optimization (DPO) methods have shown strong potential in aligning text-to-image diffusion models with human preferences by training on paired comparisons. These methods improve training stability by avoiding the REINFORCE…

Computer Vision and Pattern Recognition · Computer Science 2025-10-22 Yi-Lun Wu , Bo-Kai Ruan , Chiang Tseng , Hong-Han Shuai

Identifying key genes involved in a particular disease is a very important problem which is considered in biomedical research. GeneRank model is based on the PageRank algorithm that preserves many of its mathematical properties. The model…

Numerical Analysis · Mathematics 2014-03-18 Davod Khojasteh Salkuyeh , Vahid Edalatpour , Davod Hezari

Deepgenerative models havebecomeapromisingapproach for human motion prediction due to their ability to capture multimodal distributions and represent diverse human be haviors. However, generating predictions that are both di verse and…

Computer Vision and Pattern Recognition · Computer Science 2026-05-22 Lei Chu , Yuhuan Zhao

We study the behavior of network diffusions based on the PageRank random walk from a set of seed nodes. These diffusions are known to reveal small, localized clusters (or communities) and also large macro-scale clusters by varying a…

Social and Information Networks · Computer Science 2016-07-06 Kyle Kloster , David F. Gleich

Protein structure-based property prediction has emerged as a promising approach for various biological tasks, such as protein function prediction and sub-cellular location estimation. The existing methods highly rely on experimental protein…

Machine Learning · Computer Science 2023-10-20 Yufei Huang , Siyuan Li , Jin Su , Lirong Wu , Odin Zhang , Haitao Lin , Jingqi Qi , Zihan Liu , Zhangyang Gao , Yuyang Liu , Jiangbin Zheng , Stan. ZQ. Li

We propose an adaptive diffusion mechanism to optimize a global cost function in a distributed manner over a network of nodes. The cost function is assumed to consist of a collection of individual components. Diffusion adaptation allows the…

Optimization and Control · Mathematics 2015-06-03 Jianshu Chen , Ali H. Sayed

Over the last decade, PageRank has gained importance in a wide range of applications and domains, ever since it first proved to be effective in determining node importance in large graphs (and was a pioneering idea behind Google's search…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-11-26 Atish Das Sarma , Anisur Rahaman Molla , Gopal Pandurangan , Eli Upfal

We report a flexible language-model based deep learning strategy, applied here to solve complex forward and inverse problems in protein modeling, based on an attention neural network that integrates transformer and graph convolutional…

Biomolecules · Quantitative Biology 2023-10-20 Markus J. Buehler

We use a semisupervised learning algorithm based on a topological data analysis approach to assign functional categories to yeast proteins using similarity graphs. This new approach to analyzing biological networks yields results that are…

Computational Engineering, Finance, and Science · Computer Science 2014-08-26 R. Sean Bowman , Douglas Heisterkamp , Jesse Johnson , Danielle O'Donnol

Network models are applied in numerous domains where data can be represented as a system of interactions among pairs of actors. While both statistical and mechanistic network models are increasingly capable of capturing various dependencies…

Methodology · Statistics 2018-07-02 Sixing Chen , Jukka-Pekka Onnela

Augmentation is an effective alternative to utilize the small amount of labeled protein data. However, most of the existing work focuses on design-ing new architectures or pre-training tasks, and relatively little work has studied data…

Quantitative Methods · Quantitative Biology 2024-03-05 Rui Sun , Lirong Wu , Haitao Lin , Yufei Huang , Stan Z. Li

Modern navigation services often provide multiple paths connecting the same source and destination for users to select. Hence, ranking such paths becomes increasingly important, which directly affects the service quality. We present…

Machine Learning · Computer Science 2019-07-10 Sean Bin Yang , Bin Yang

Graph-based Retrieval-Augmented Generation (GraphRAG) frameworks face a trade-off between the comprehensiveness of global search and the efficiency of local search. Existing methods are often challenged by navigating large-scale…

Information Retrieval · Computer Science 2026-01-30 Yuejie Li , Ke Yang , Tao Wang , Bolin Chen , Bowen Li , Chengjun Mao

Reinforcement learning (RL) algorithms have been used recently to align diffusion models with downstream objectives such as aesthetic quality and text-image consistency by fine-tuning them to maximize a single reward function under a fixed…

Artificial Intelligence · Computer Science 2026-03-13 Min Cheng , Fatemeh Doudi , Dileep Kalathil , Mohammad Ghavamzadeh , Panganamala R. Kumar

Aligning large language models with human preferences has emerged as a critical focus in language modeling research. Yet, integrating preference learning into Text-to-Image (T2I) generative models is still relatively uncharted territory.…

Computer Vision and Pattern Recognition · Computer Science 2024-06-11 Yi Gu , Zhendong Wang , Yueqin Yin , Yujia Xie , Mingyuan Zhou

Studying the function of proteins is important for understanding the molecular mechanisms of life. The number of publicly available protein structures has increasingly become extremely large. Still, the determination of the function of a…

Machine Learning · Computer Science 2018-03-02 Wajdi Dhifli , Abdoulaye Baniré Diallo

Graph diffusion models have recently been proposed to synthesize entire graphs, such as molecule graphs. Although existing methods have shown great performance in generating entire graphs for graph-level learning tasks, no graph diffusion…

Machine Learning · Computer Science 2025-03-18 Yancheng Wang , Changyu Liu , Yingzhen Yang