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The paper introduces a generalization for known probabilistic models such as log-linear and graphical models, called here multiplicative models. These models, that express probabilities via product of parameters are shown to capture…

Artificial Intelligence · Computer Science 2012-06-18 Ydo Wexler , Christopher Meek

Identifiability is a necessary condition for successful parameter estimation of dynamic system models. A major component of identifiability analysis is determining the identifiable parameter combinations, the functional forms for the…

Quantitative Methods · Quantitative Biology 2013-10-07 Marisa C. Eisenberg , Michael A. L. Hayashi

Large information sizes in samples and features can be encoded to speed up the learning of statistical models based on linear algebra and remove unwanted signals. Encoding information can reduce both sample and feature dimension to a…

Machine Learning · Computer Science 2022-06-23 David Banh , Alan Huang

Probabilistic programming has emerged as a powerful paradigm in statistics, applied science, and machine learning: by decoupling modelling from inference, it promises to allow modellers to directly reason about the processes generating…

Machine Learning · Statistics 2019-06-10 Maria I. Gorinova , Dave Moore , Matthew D. Hoffman

High-throughput computational materials design promises to greatly accelerate the process of discovering new materials and compounds, and of optimizing their properties. The large databases of structures and properties that result from…

Chemical Physics · Physics 2016-11-22 Sandip De , Felix Musil , Teresa Ingram , Carsten Baldauf , Michele Ceriotti

A concept of "evolving categories" is suggested to build a simple, scalable, mathematically consistent framework for representing in uniform way both data and algorithms. A state machine for executing algorithms becomes clear, rich and…

Data Structures and Algorithms · Computer Science 2007-05-23 Evgeny Yanenko

Many nonequilibrium systems, such as biochemical reactions and socioeconomic interactions, can be described by reaction-diffusion equations that demonstrate a wide variety of complex spatiotemporal patterns. The diversity of the morphology…

Computational Physics · Physics 2022-02-02 Christian Scholz , Sandy Scholz

Compositional generalization, the ability to recognize familiar parts in novel contexts, is a defining property of intelligent systems. Although modern models are trained on massive datasets, they still cover only a tiny fraction of the…

Computer Vision and Pattern Recognition · Computer Science 2026-03-02 Arnas Uselis , Andrea Dittadi , Seong Joon Oh

Embedding spaces contain interpretable dimensions indicating gender, formality in style, or even object properties. This has been observed multiple times. Such interpretable dimensions are becoming valuable tools in different areas of…

Computation and Language · Computer Science 2024-04-04 Katrin Erk , Marianna Apidianaki

The practice of evolutionary algorithms involves the tuning of many parameters. How big should the population be? How many generations should the algorithm run? What is the (tournament selection) tournament size? What probabilities should…

Neural and Evolutionary Computing · Computer Science 2018-06-08 Moshe Sipper , Weixuan Fu , Karuna Ahuja , Jason H. Moore

Pre-trained large foundation models play a central role in the recent surge of artificial intelligence, resulting in fine-tuned models with remarkable abilities when measured on benchmark datasets, standard exams, and applications. Due to…

Computer Vision and Pattern Recognition · Computer Science 2024-01-30 Shaeke Salman , Md Montasir Bin Shams , Xiuwen Liu

High dimensional superposition models characterize observations using parameters which can be written as a sum of multiple component parameters, each with its own structure, e.g., sum of low rank and sparse matrices, sum of sparse and…

Machine Learning · Computer Science 2017-06-01 Qilong Gu , Arindam Banerjee

Synthetic polymers are versatile and widely used materials. Similar to small organic molecules, a large chemical space of such materials is hypothetically accessible. Computational property prediction and virtual screening can accelerate…

Machine Learning · Computer Science 2022-10-13 Matteo Aldeghi , Connor W. Coley

Probabilistic graphical models combine the graph theory and probability theory to give a multivariate statistical modeling. They provide a unified description of uncertainty using probability and complexity using the graphical model.…

Machine Learning · Statistics 2011-11-30 Yang Zhou

Over the past decades, linear mixed models have attracted considerable attention in various fields of applied statistics. They are popular whenever clustered, hierarchical or longitudinal data are investigated. Nonetheless, statistical…

Methodology · Statistics 2021-09-20 Katarzyna Reluga , María José Lombardía , Stefan Andreas Sperlich

Recent research in molecular discovery has primarily been devoted to small, drug-like molecules, leaving many similarly important applications in material design without adequate technology. These applications often rely on more complex…

Polymer materials have the characteristic feature that they are multiscale systems by definition. Already the description of a single molecules involves a multitude of different scales, and cooperative processes in polymer assemblies are…

Chemical Physics · Physics 2022-12-20 Friederike Schmid

High-throughput data generation methods and machine learning (ML) algorithms have given rise to a new era of computational materials science by learning relationships among composition, structure, and properties and by exploiting such…

Geometric modeling by constraints, whose applications are of interest to communities from various fields such as mechanical engineering, computer aided design, symbolic computation or molecular chemistry, is now integrated into standard…

Computational Geometry · Computer Science 2018-03-06 Samy Ait-Aoudia , Adel Moussaoui , Khaled Abid , Dominique Michelucci

Linear compartmental models are a widely used tool for analyzing systems arising in biology, medicine, and more. In such settings, it is essential to know whether model parameters can be recovered from experimental data. This is the…

Combinatorics · Mathematics 2025-11-18 Katherine Clemens , Jonathan Martinez , Anne Shiu , Michaela Thompson , Benjamin Warren