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A central concern of molecular dynamics simulations are the potential energy surfaces that govern atomic interactions. These hypersurfaces define the potential energy of the system, and have generally been calculated using either predefined…

Computational Physics · Physics 2019-07-05 Emir Kocer , Jeremy K. Mason , Hakan Erturk

Neural networks have been proposed as efficient numerical wavefunction ansatze which can be used to variationally search a wide range of functional forms for ground state solutions. These neural network methods are also advantageous in that…

Nuclear Theory · Physics 2023-09-13 Paulo F. Bedaque , Hersh Kumar , Andy Sheng

Non-linear state estimation and some related topics, like parametric estimation, fault diagnosis, and perturbation attenuation, are tackled here via a new methodology in numerical differentiation. The corresponding basic system theoretic…

Computational Engineering, Finance, and Science · Computer Science 2008-11-06 Michel Fliess , Cédric Join , Hebertt Sira-Ramirez

To make progress in science, we often build abstract representations of physical systems that meaningfully encode information about the systems. The representations learnt by most current machine learning techniques reflect statistical…

Different network models have been suggested for the topology underlying complex interactions in natural systems. These models are aimed at replicating specific statistical features encountered in real-world networks. However, it is rarely…

Physics and Society · Physics 2012-06-11 Stefano Cardanobile , Volker Pernice , Moritz Deger , Stefan Rotter

Statistical and structural modeling represent two distinct approaches to data analysis. In this paper, we propose a set of novel methods for combining statistical and structural models for improved prediction and causal inference. Our first…

Econometrics · Economics 2020-06-11 Jiaming Mao , Jingzhi Xu

Graphical models can represent a multivariate distribution in a convenient and accessible form as a graph. Causal models can be viewed as a special class of graphical models that not only represent the distribution of the observed system…

Methodology · Statistics 2017-06-29 Christina Heinze-Deml , Marloes H. Maathuis , Nicolai Meinshausen

As the twin movements of open science and open source bring an ever greater share of the scientific process into the digital realm, new opportunities arise for the meta-scientific study of science itself, including of data science and…

Statistics Theory · Mathematics 2020-06-17 Evan Patterson

We study the family of network models derived by requiring the expected properties of a graph ensemble to match a given set of measurements of a real-world network, while maximizing the entropy of the ensemble. Models of this type play the…

Statistical Mechanics · Physics 2009-11-10 Juyong Park , M. E. J. Newman

For massive and heterogeneous modern datasets, it is of fundamental interest to provide guarantees on the accuracy of estimation when computational resources are limited. In the application of learning to rank, we provide a hierarchy of…

Machine Learning · Computer Science 2016-08-23 Ashish Khetan , Sewoong Oh

Artificial neural networks are being proposed as models of parts of the brain. The networks are compared to recordings of biological neurons, and good performance in reproducing neural responses is considered to support the model's…

Neurons and Cognition · Quantitative Biology 2023-09-01 Yena Han , Tomaso Poggio , Brian Cheung

This paper focuses on the identification of dynamical systems with tailor-made model structures, where neural networks are used to approximate uncertain components and domain knowledge is retained, if available. These model structures are…

Machine Learning · Computer Science 2021-10-29 Marco Forgione , Dario Piga

Data analysis is a powerful tool in all experimental sciences. Statistical methods, such as sampling theory, computer technologies necessary for handling large amounts of data, skill in analysing information contained in different types of…

Physics Education · Physics 2012-06-20 Vera Montalbano

This paper describes and discusses Bayesian Neural Network (BNN). The paper showcases a few different applications of them for classification and regression problems. BNNs are comprised of a Probabilistic Model and a Neural Network. The…

Machine Learning · Computer Science 2018-01-31 Vikram Mullachery , Aniruddh Khera , Amir Husain

This chapter explores neural networks, topological data analysis, and topological deep learning techniques, alongside statistical Bayesian methods, for processing images, time series, and graphs to maximize the potential of artificial…

Machine Learning · Computer Science 2026-02-12 Sarah Harkins Dayton , Layal Bou Hamdan , Ioannis D. Schizas , David L. Boothe , Vasileios Maroulas

Machine learning and data mining techniques are utiized for enhancement of the security of any network. Researchers used machine learning for pattern detection, anomaly detection, dynamic policy setting, etc. The methods allow the program…

Cryptography and Security · Computer Science 2024-08-31 Aviral Srivastava , Dhyan Thakkar , Sharda Valiveti , Pooja Shah , Gaurang Raval

Stochastic processes offer a flexible mathematical formalism to model and reason about systems. Most analysis tools, however, start from the premises that models are fully specified, so that any parameters controlling the system's dynamics…

Systems and Control · Computer Science 2017-01-11 Luca Bortolussi , Guido Sanguinetti

This study presents the computational modeling and simulation of silver nanoparticle networks (NPNs), which, in the realm of neuromorphic computation, suggest to be a promising candidate for nontraditional computation methods. The modeling…

Machine Learning (ML) has the potential to accelerate discovery of new materials and shed light on useful properties of existing materials. A key difficulty when applying ML in Materials Science is that experimental datasets of material…

Understanding of how biological neural networks process information is one of the biggest open scientific questions of our time. Advances in machine learning and artificial neural networks have enabled the modeling of neuronal behavior, but…

Quantum Physics · Physics 2024-09-17 Vinicius Hernandes , Eliska Greplova