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Current deep learning classifiers, carry out supervised learning and store class discriminatory information in a set of shared network weights. These weights cannot be easily altered to incrementally learn additional classes, since the…

Computer Vision and Pattern Recognition · Computer Science 2022-12-02 Penny Johnston , Keiller Nogueira , Kevin Swingler

In the drug discovery process, where experiments can be costly and time-consuming, computational models that predict drug-target interactions are valuable tools to accelerate the development of new therapeutic agents. Estimating the…

Machine Learning · Computer Science 2024-07-22 Hannah Rosa Friesacher , Ola Engkvist , Lewis Mervin , Yves Moreau , Adam Arany

We develop a Gaussian process framework for learning interaction kernels in multi-species interacting particle systems from trajectory data. Such systems provide a canonical setting for multiscale modeling, where simple microscopic…

Machine Learning · Statistics 2025-11-05 Jinchao Feng , Charles Kulick , Sui Tang

We demonstrate a machine learning approach designed to extract hidden chemistry/physics to facilitate new materials discovery. In particular, we propose a novel method for learning latent knowledge from material structure data in which…

Materials Science · Physics 2021-08-03 Tien-Cuong Nguyen , Van-Quyen Nguyen , Van-Linh Ngo , Quang-Khoat Than , Tien-Lam Pham

I present a brief review of the existing models for particle multiplicity evaluation in heavy ion collisions which are at our disposal in the form of Monte Carlo simulators. Models are classified according to the physical mechanisms with…

High Energy Physics - Phenomenology · Physics 2009-11-10 N. Armesto

We show how machine learning techniques based on Bayesian inference can be used to reach new levels of realism in the computer simulation of molecular materials, focusing here on water. We train our machine-learning algorithm using…

Materials Science · Physics 2013-02-25 Albert P. Bartok , Michael J. Gillan , Frederick R. Manby , Gabor Csanyi

Bayesian network classifiers provide a feasible solution to tabular data classification, with a number of merits like high time and memory efficiency, and great explainability. However, due to the parameter explosion and data sparsity…

Machine Learning · Computer Science 2025-08-18 Huan Zhang , Daokun Zhang , Kexin Meng , Geoffrey I. Webb

We propose masked particle modeling (MPM) as a self-supervised method for learning generic, transferable, and reusable representations on unordered sets of inputs for use in high energy physics (HEP) scientific data. This work provides a…

High Energy Physics - Phenomenology · Physics 2024-07-12 Tobias Golling , Lukas Heinrich , Michael Kagan , Samuel Klein , Matthew Leigh , Margarita Osadchy , John Andrew Raine

We propose a sequential Monte Carlo algorithm for parameter learning when the studied model exhibits random discontinuous jumps in behaviour. To facilitate the learning of high dimensional parameter sets, such as those associated to neural…

Machine Learning · Statistics 2024-12-19 John-Joseph Brady , Yuhui Luo , Wenwu Wang , Víctor Elvira , Yunpeng Li

Physicists at the Large Hadron Collider (LHC) rely on detailed simulations of particle collisions to build expectations of what experimental data may look like under different theory modeling assumptions. Petabytes of simulated data are…

High Energy Physics - Experiment · Physics 2018-02-06 Michela Paganini , Luke de Oliveira , Benjamin Nachman

This paper presents the construction of a particle filter, which incorporates elements inspired by genetic algorithms, in order to achieve accelerated adaptation of the estimated posterior distribution to changes in model parameters.…

Machine Learning · Statistics 2018-06-15 Karol Gellert , Erik Schlögl

We introduce a method based on Gaussian process regression to identify discrete variational principles from observed solutions of a field theory. The method is based on the data-based identification of a discrete Lagrangian density. It is a…

Numerical Analysis · Mathematics 2024-07-11 Christian Offen

Probabilistic modeling provides the capability to represent and manipulate uncertainty in data, models, predictions and decisions. We are concerned with the problem of learning probabilistic models of dynamical systems from measured data.…

Computation · Statistics 2018-03-14 Thomas B. Schön , Andreas Svensson , Lawrence Murray , Fredrik Lindsten

The clustering of bounded data presents unique challenges in statistical analysis due to the constraints imposed on the data values. This paper introduces a novel method for model-based clustering specifically designed for bounded data.…

Methodology · Statistics 2025-05-16 Luca Scrucca

In Astrophysics, the identification of candidate Globular Clusters through deep, wide-field, single band HST images, is a typical data analytics problem, where methods based on Machine Learning have revealed a high efficiency and…

Instrumentation and Methods for Astrophysics · Physics 2017-10-12 Giuseppe Angora , Massimo Brescia , Giuseppe Riccio , Stefano Cavuoti , Maurizio Paolillo , Thomas H. Puzia

Accurate particle identification (PID) is one of the most important aspects of the LHCb experiment. Modern machine learning techniques such as neural networks (NNs) are efficiently applied to this problem and are integrated into the LHCb…

Data Analysis, Statistics and Probability · Physics 2020-08-26 Artem Ryzhikov , Denis Derkach , Mikhail Hushchyn

Gaussian Processes (GPs) are known to provide accurate predictions and uncertainty estimates even with small amounts of labeled data by capturing similarity between data points through their kernel function. However traditional GP kernels…

Machine Learning · Computer Science 2021-11-16 Ankur Mallick , Chaitanya Dwivedi , Bhavya Kailkhura , Gauri Joshi , T. Yong-Jin Han

Recursive estimation of nonlinear dynamical systems is an important problem that arises in several engineering applications. Consistent and accurate propagation of uncertainties is important to ensuring good estimation performance. It is…

Systems and Control · Computer Science 2016-03-16 Dilshad Raihan Akkam Veettil , Suman Chakravorty

Dusty plasma is a mixture of ions, electrons, and macroscopic charged particles that is commonly found in space and planetary environments. The particles interact through Coulomb forces mediated by the surrounding plasma, and as a result,…

Plasma Physics · Physics 2025-04-11 Wentao Yu , Eslam Abdelaleem , Ilya Nemenman , Justin C. Burton

We present a fast simulation application based on a Deep Neural Network, designed to create large analysis-specific datasets. Taking as an example the generation of W+jet events produced in sqrt(s)= 13 TeV proton-proton collisions, we train…

Computational Physics · Physics 2020-10-06 Cheng Chen , Olmo Cerri , Thong Q. Nguyen , Jean-Roch Vlimant , Maurizio Pierini
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