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We present a generalized version of the ITIM algorithm for the identification of interfacial molecules, which is able to treat arbitrarily shaped interfaces. The algorithm exploits the similarities between the concept of probe sphere used…

Soft Condensed Matter · Physics 2012-10-11 Marcello Sega , Sofia Kantorovich , Pál Jedlovszky , Miguel Jorge

We introduce Trialstreamer, a living database of clinical trial reports. Here we mainly describe the evidence extraction component; this extracts from biomedical abstracts key pieces of information that clinicians need when appraising the…

Information Retrieval · Computer Science 2020-05-25 Benjamin E. Nye , Ani Nenkova , Iain J. Marshall , Byron C. Wallace

The Information Bottleneck (IB) principle offers an information-theoretic framework for analyzing the training process of deep neural networks (DNNs). Its essence lies in tracking the dynamics of two mutual information (MI) values: between…

Machine Learning · Computer Science 2024-05-10 Ivan Butakov , Alexander Tolmachev , Sofia Malanchuk , Anna Neopryatnaya , Alexey Frolov , Kirill Andreev

Internet traffic on a network link can be modeled as a stochastic process. After detecting and quantifying the properties of this process, using statistical tools, a series of mathematical models is developed, culminating in one that is…

Probability · Mathematics 2015-06-26 Konstantinos Drakakis , Dragan Radulovic

Influence Maximization (IM) aims to maximize the number of people that become aware of a product by finding the `best' set of `seed' users to initiate the product advertisement. Unlike prior arts on static social networks containing fixed…

Social and Information Networks · Computer Science 2019-11-14 Xudong Wu , Luoyi Fu , Zixin Zhang , Jingfan Meng , Xinbing Wang , Guihai Chen

This document discusses the Information Theoretically Efficient Model (ITEM), a computerized system to generate an information theoretically efficient multinomial logistic regression from a general dataset. More specifically, this model is…

Machine Learning · Computer Science 2014-11-05 Tyler Ward

Network seeding for efficient information diffusion over time-varying graphs~(TVGs) is a challenging task with many real-world applications. There are several ways to model this spatio-temporal influence maximization problem, but the…

Machine Learning · Computer Science 2020-11-30 Matheus R. F. Mendonça , André M. S. Barreto , Artur Ziviani

In this paper, we present a new approach to interpret deep learning models. By coupling mutual information with network science, we explore how information flows through feedforward networks. We show that efficiently approximating mutual…

Machine Learning · Computer Science 2020-05-05 Brian Davis , Umang Bhatt , Kartikeya Bhardwaj , Radu Marculescu , José M. F. Moura

Fundamental understanding of the effect of microscopic parameters on the dynamics of probe particles in different complex environments has wide implications. Examples include diffusion of proteins in the biological hydrogels, porous media,…

Soft Condensed Matter · Physics 2019-09-11 Praveen Kumar , Ligesh Theeyancheri , Subhasish Chaki , Rajarshi Chakrabarti

The influence maximization (IM) problem involves identifying a set of key individuals in a social network who can maximize the spread of influence through their network connections. With the advent of geometric deep learning on graphs,…

Social and Information Networks · Computer Science 2024-12-11 Yunming Hui , Shihan Wang , Melisachew Wudage Chekol , Stevan Rudinac , Inez Maria Zwetsloot

Information plane (IP) analysis has been suggested to study the training dynamics of deep neural networks through mutual information (MI) between inputs, representations, and targets. However, its statistical validity is often compromised…

Machine Learning · Computer Science 2026-05-06 Maximilian Nothnagel , Bernhard C. Geiger

Influence Maximization (IM), which aims to select a set of users from a social network to maximize the expected number of influenced users, is an evergreen hot research topic. Its research outcomes significantly impact real-world…

Social and Information Networks · Computer Science 2025-03-28 Taotao Cai , Quan Z. Sheng , Xiangyu Song , Jian Yang , Shuang Wang , Wei Emma Zhang , Jia Wu , Philip S. Yu

Social networks have become ubiquitous in our daily life, as such it has attracted great research interests recently. A key challenge is that it is of extremely large-scale with tremendous information flow, creating the phenomenon of "Big…

Computer Science and Game Theory · Computer Science 2015-06-17 Chunxiao Jiang , Yan Chen , K. J. Ray Liu

Popular online enrichment analysis tools from the field of molecular systems biology provide users with the ability to submit their experimental results as gene sets for individual analysis. Such queries are kept private, and have never…

Molecular Networks · Quantitative Biology 2016-01-08 Avi Ma'ayan , Neil R. Clark

On the occasion of the 20th Mixed Integer Program Workshop's computational competition, this work introduces a new approach for learning to solve MIPs online. Influence branching, a new graph-oriented variable selection strategy, is applied…

Machine Learning · Computer Science 2025-10-07 Paul Strang , Zacharie Alès , Côme Bissuel , Olivier Juan , Safia Kedad-Sidhoum , Emmanuel Rachelson

We introduce a graph generating model aimed at representing the evolution of protein interaction networks. The model is based on the hypotesis of evolution by duplications and divergence of the genes which produce proteins. The obtained…

Statistical Mechanics · Physics 2007-05-23 A. Vazquez , A. Flammini , A. Maritan , A. Vespignani

High-throughput protein interaction detection methods are strongly affected by false positive and false negative results. Focused experiments are needed to complement the large-scale methods by validating previously detected interactions…

Molecular Networks · Quantitative Biology 2007-05-23 Istvan Albert , Reka Albert

Content popularity prediction has been extensively studied due to its importance and interest for both users and hosts of social media sites like Facebook, Instagram, Twitter, and Pinterest. However, existing work mainly focuses on modeling…

Computer Vision and Pattern Recognition · Computer Science 2017-11-30 Wenjian Hu , Krishna Kumar Singh , Fanyi Xiao , Jinyoung Han , Chen-Nee Chuah , Yong Jae Lee

Dataset distillation aims to create a compact dataset that retains essential information while maintaining model performance. Diffusion models (DMs) have shown promise for this task but struggle in low images-per-class (IPC) settings, where…

Machine Learning · Computer Science 2025-07-08 Linfeng Ye , Shayan Mohajer Hamidi , Guang Li , Takahiro Ogawa , Miki Haseyama , Konstantinos N. Plataniotis

A theoretical approach is developed to quantify hydrophobic hydration and interactions on a molecular scale, with the goal of gaining insight into the molecular origins of hydrophobic effects. The model is based on the fundamental relation…

Chemical Physics · Physics 2016-08-15 G. Hummer , S. Garde , A. E. García , M. E. Paulaitis , L. R. Pratt