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The interpretation of ligand-target interactions at atomistic resolution is central to most efforts in computational drug discovery and optimization. However, the highly dynamic nature of protein targets, as well as possible induced fit…

Biomolecules · Quantitative Biology 2024-12-04 Lara Callea , Camilla Caprai , Laura Bonati , Toni Giorgino , Stefano Motta

Similar product recommendation is one of the most common scenes in e-commerce. Many recommendation algorithms such as item-to-item Collaborative Filtering are working on measuring item similarities. In this paper, we introduce our real-time…

Information Retrieval · Computer Science 2020-04-14 Zhi Liu , Yan Huang , Jing Gao , Li Chen , Dong Li

Relational probabilistic models have the challenge of aggregation, where one variable depends on a population of other variables. Consider the problem of predicting gender from movie ratings; this is challenging because the number of movies…

Kohonen Maps, aka. Self-organizing maps (SOMs) are neural networks that visualize a high-dimensional feature space on a low-dimensional map. While SOMs are an excellent tool for data examination and exploration, they inherently cause a loss…

Human-Computer Interaction · Computer Science 2024-10-16 Simon Linke , Tim Ziemer

Despite recent progress in offline learning, these methods are still trained and tested on the same environment. In this paper, we compare the generalization abilities of widely used online and offline learning methods such as online…

Machine Learning · Computer Science 2024-03-18 Ishita Mediratta , Qingfei You , Minqi Jiang , Roberta Raileanu

The development of a company often entails the emergence of autonomous data sources with different structural and technological organization. This can lead to the inability of data analysis at a high level and a violation of the integrity…

Information Retrieval · Computer Science 2022-01-14 A. Kalinin , E. Shikov , D. Vaganov , A. Lysenko

Estimating statistical models within sensor networks requires distributed algorithms, in which both data and computation are distributed across the nodes of the network. We propose a general approach for distributed learning based on…

Machine Learning · Computer Science 2012-07-03 Qiang Liu , Alexander Ihler

In this work, we present the development of a neuro-inspired approach for characterizing sensorimotor relations in robotic systems. The proposed method has self-organizing and associative properties that enable it to autonomously obtain…

Robotics · Computer Science 2019-05-02 Omar Zahra , David Navarro-Alarcon

Representational similarity metrics typically force all units to be matched, making them susceptible to noise and outliers common in neural representations. We extend the soft-matching distance to a partial optimal transport setting that…

Machine Learning · Computer Science 2026-02-24 Chaitanya Kapoor , Alex H. Williams , Meenakshi Khosla

We consider a database composed of a set of conceptual graphs. Using conceptual graphs and graph homomorphism it is possible to build a basic query-answering mechanism based on semantic search. Graph homomorphism defines a partial order…

Data Structures and Algorithms · Computer Science 2012-07-13 Abdurashid Mamadolimov

The paper deals with the developing of the methodological backgrounds for the modeling and simulation of complex dynamical objects. Such backgrounds allow us to perform coordinate transformation and formulate the algorithm of its usage for…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-08-07 Roman Voliansky , Andri Pranolo

We advocate that simulation based on offline profiling is a promising approach to better understand and improve the complex ML systems. Our approach uses operation-level profiling and dataflow based simulation to ensure it offers a unified…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-02-18 Hongming Huang , Peng Cheng , Hong Xu , Yongqiang Xiong

Modern decision-making systems, from robots to web recommendation engines, are expected to adapt: to user preferences, changing circumstances or even new tasks. Yet, it is still uncommon to deploy a dynamically learning agent (rather than a…

Machine Learning · Computer Science 2022-11-15 Shengpu Tang , Felipe Vieira Frujeri , Dipendra Misra , Alex Lamb , John Langford , Paul Mineiro , Sebastian Kochman

Designing scalable estimation algorithms is a core challenge in modern statistics. Here we introduce a framework to address this challenge based on parallel approximants, which yields estimators with provable properties that operate on the…

Methodology · Statistics 2023-08-04 Aritra Chakravorty , William S. Cleveland , Patrick J. Wolfe

Partially ordered models of time occur naturally in applications where agents or processes cannot perfectly communicate with each other, and can be traced back to the seminal work of Lamport. In this paper we consider the problem of…

Computational Complexity · Computer Science 2023-05-26 Leif Eriksson , Victor Lagerkvist

Estimating a causal query from observational data is an essential task in the analysis of biomolecular networks. Estimation takes as input a network topology, a query estimation method, and observational measurements on the network…

How do social networks differ across platforms? How do information networks change over time? Answering questions like these requires us to compare two or more graphs. This task is commonly treated as a measurement problem, but numerical…

Social and Information Networks · Computer Science 2022-05-10 Corinna Coupette , Jilles Vreeken

We study parallel comparison-based algorithms for finding all equivalence classes of a set of $n$ elements, where sorting according to some total order is not possible. Such scenarios arise, for example, in applications, such as in…

Data Structures and Algorithms · Computer Science 2016-05-13 William E. Devanny , Michael T. Goodrich , Kristopher Jetviroj

This paper addresses the challenge of modeling multi-way contingency tables for matched set data with ordinal categories. Although the complete symmetry and marginal homogeneity models are well established, they may not always provide a…

Methodology · Statistics 2025-01-28 Hisaya Okahara , Kouji Tahata

Different semantic interpretation tasks such as text entailment and question answering require the classification of semantic relations between terms or entities within text. However, in most cases it is not possible to assign a direct…

Computation and Language · Computer Science 2018-05-18 Siamak Barzegar , Andre Freitas , Siegfried Handschuh , Brian Davis