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Protein-Protein Interactions (PPIs) are fundamental in various biological processes and play a key role in life activities. The growing demand and cost of experimental PPI assays require computational methods for efficient PPI prediction.…

机器学习 · 计算机科学 2024-02-23 Lirong Wu , Yijun Tian , Yufei Huang , Siyuan Li , Haitao Lin , Nitesh V Chawla , Stan Z. Li

Structural information about protein-protein interactions, often missing at the interactome scale, is important for mechanistic understanding of cells and rational discovery of therapeutics. Protein docking provides a computational…

生物大分子 · 定量生物学 2020-12-17 Yue Cao , Yang Shen

In this paper, we propose a method for ranking fashion images to find the ones which might be liked by more people. We collect two new datasets from image sharing websites (Pinterest and Polyvore). We represent fashion images based on…

计算机视觉与模式识别 · 计算机科学 2015-11-24 Jinghua Wang , Abrar Abdul Nabi , Gang Wang , Chengde Wan , Tian-Tsong Ng

Owing to the advancement of deep learning, artificial systems are now rival to humans in several pattern recognition tasks, such as visual recognition of object categories. However, this is only the case with the tasks for which correct…

机器学习 · 计算机科学 2019-06-03 Xing Liu , Takayuki Okatani

Ranking is one of the most fundamental problems in machine learning with applications in many branches of computer science such as: information retrieval systems, recommendation systems, machine translation and computational biology.…

数据结构与算法 · 计算机科学 2015-04-07 Krzysztof Choromanski

We provide a visualization model that targets the visualization of Protein-Protein Interactions(PPI) and combines it with a super view based on publications and methods to extract interactions. Although there are several existing tools, our…

信息检索 · 计算机科学 2021-11-29 Melih Sozdinler

Protein-protein interactions (PPIs) are crucial in regulating numerous cellular functions, including signal transduction, transportation, and immune defense. As the accuracy of multi-chain protein complex structure prediction improves, the…

生物大分子 · 定量生物学 2024-02-07 Chenqing Hua , Connor Coley , Guy Wolf , Doina Precup , Shuangjia Zheng

Peptides play a pivotal role in a wide range of biological activities through participating in up to 40% protein-protein interactions in cellular processes. They also demonstrate remarkable specificity and efficacy, making them promising…

生物大分子 · 定量生物学 2024-02-09 Song Yin , Xuenan Mi , Diwakar Shukla

We describe a seriation algorithm for ranking a set of items given pairwise comparisons between these items. Intuitively, the algorithm assigns similar rankings to items that compare similarly with all others. It does so by constructing a…

机器学习 · 计算机科学 2016-03-11 Fajwel Fogel , Alexandre d'Aspremont , Milan Vojnovic

Protein (receptor)--ligand interaction prediction is a critical component in computer-aided drug design, significantly influencing molecular docking and virtual screening processes. Despite the development of numerous scoring functions in…

生物大分子 · 定量生物学 2024-01-22 Haoyu Lin , Shiwei Wang , Jintao Zhu , Yibo Li , Jianfeng Pei , Luhua Lai

We revisit the elegant observation of T. Cover '65 which, perhaps, is not as well-known to the broader community as it should be. The first goal of the tutorial is to explain---through the prism of this elementary result---how to solve…

机器学习 · 计算机科学 2016-09-01 Alexander Rakhlin , Karthik Sridharan

Specific protein-protein interactions are crucial in the cell, both to ensure the formation and stability of multi-protein complexes, and to enable signal transduction in various pathways. Functional interactions between proteins result in…

生物物理 · 物理学 2016-11-21 Anne-Florence Bitbol , Robert S. Dwyer , Lucy J. Colwell , Ned S. Wingreen

Prediction of protein-ligand interactions (PLI) plays a crucial role in drug discovery as it guides the identification and optimization of molecules that effectively bind to target proteins. Despite remarkable advances in deep…

生物大分子 · 定量生物学 2023-07-18 Seokhyun Moon , Sang-Yeon Hwang , Jaechang Lim , Woo Youn Kim

We review a recent trend in computational systems biology which aims at using pattern recognition algorithms to infer the structure of large-scale biological networks from heterogeneous genomic data. We present several strategies that have…

定量方法 · 定量生物学 2008-09-22 Jean-Philippe Vert

The accurate description of electron correlation is a central challenge in computational chemistry, with selected configuration interaction (SCI) emerging as a powerful tool to approach the full CI limit. While recent machine learning (ML)…

化学物理 · 物理学 2026-05-12 Wan Nie , Songwei Liu , Yingying Yu , Zhiwen Wang , and Jun Yang

In this paper, we initiate the study of the weighted paging problem with predictions. This continues the recent line of work in online algorithms with predictions, particularly that of Lykouris and Vassilvitski (ICML 2018) and Rohatgi (SODA…

数据结构与算法 · 计算机科学 2020-06-18 Zhihao Jiang , Debmalya Panigrahi , Kevin Sun

The last decade has seen a revolution in the theory and application of machine learning and pattern recognition. Through these advancements, variable ranking has emerged as an active and growing research area and it is now beginning to be…

计算机视觉与模式识别 · 计算机科学 2017-06-20 Giorgio Roffo

Aberrant protein-protein interactions (PPIs) underpin a plethora of human diseases, and disruption of these harmful interactions constitute a compelling treatment avenue. Advances in computational approaches to PPI prediction have closely…

生物大分子 · 定量生物学 2025-07-29 François Charih , James R. Green , Kyle K. Biggar

Recent advances in AI for science have highlighted the power of contrastive learning in bridging heterogeneous biological data modalities. Building on this paradigm, we propose HIPPO (HIerarchical Protein-Protein interaction prediction…

机器学习 · 计算机科学 2025-08-05 Shiyi Liu , Buwen Liang , Yuetong Fang , Zixuan Jiang , Renjing Xu

Complexes of physically interacting proteins constitute fundamental functional units responsible for driving biological processes within cells. A faithful reconstruction of the entire set of complexes is therefore essential to understand…

分子网络 · 定量生物学 2015-05-21 Sriganesh Srihari , Chern Han Yong , Ashwini Patil , Limsoon Wong