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Precise physical descriptions of molecules can be obtained by solving the Schrodinger equation; however, these calculations are intractable and even approximations can be cumbersome. Force fields, which estimate interatomic potentials based…

Chemical Physics · Physics 2020-12-15 Peter Nekrasov , Jessica Freeze , Victor Batista

A robust algorithm for non-negative matrix factorization (NMF) is presented in this paper with the purpose of dealing with large-scale data, where the separability assumption is satisfied. In particular, we modify the Linear Programming…

Machine Learning · Statistics 2014-01-10 Jason Gejie Liu , Shuchin Aeron

Restricted Boltzmann machines (RBMs) are energy-based models analogous to the Ising model and are widely applied in statistical machine learning. The standard inverse Ising problem with a complete dataset requires computing both data and…

Machine Learning · Statistics 2025-09-01 Kaiji Sekimoto , Muneki Yasuda

The restricted Boltzmann machine is a basic machine learning tool able, in principle, to model the distribution of some arbitrary dataset. Its standard training procedure appears however delicate and obscure in many respects. We bring some…

Disordered Systems and Neural Networks · Physics 2021-11-18 Aurélien Decelle , Cyril Furtlehner

Restricted Boltzmann machines (RBM) and its variants have become hot research topics recently, and widely applied to many classification problems, such as character recognition and document categorization. Often, classification RBM ignores…

Machine Learning · Computer Science 2015-04-21 Gang Chen , Sargur H. Srihari

Boltzmann Machines (BMs) are graphical models with interconnected binary units, employed for the unsupervised modeling of data distributions. When trained on real data, BMs show the tendency to behave like critical systems, displaying a…

Disordered Systems and Neural Networks · Physics 2024-06-28 Enrico Ventura , Simona Cocco , Rémi Monasson , Francesco Zamponi

Nonnegative Matrix Factorization (NMF) is an unsupervised learning algorithm that produces a linear, parts-based approximation of a data matrix. NMF constructs a nonnegative low rank basis matrix and a nonnegative low rank matrix of weights…

Machine Learning · Statistics 2020-12-08 Matthew Corsetti , Ernest Fokoué

To fully understand, analyze, and determine the behavior of dynamical systems, it is crucial to identify their intrinsic modal coordinates. In nonlinear dynamical systems, this task is challenging as the modal transformation based on the…

Machine Learning · Computer Science 2025-03-13 Abdolvahhab Rostamijavanani , Shanwu Li , Yongchao Yang

Machine Learning (ML) is increasingly being used for computer aided diagnosis of brain related disorders based on structural magnetic resonance imaging (MRI) data. Most of such work employs biologically and medically meaningful hand-crafted…

Machine Learning · Computer Science 2018-05-04 Ayush Jaiswal , Dong Guo , Cauligi S. Raghavendra , Paul Thompson

We introduce Constr-DRKM, a deep kernel method for the unsupervised learning of disentangled data representations. We propose augmenting the original deep restricted kernel machine formulation for kernel PCA by orthogonality constraints on…

Machine Learning · Computer Science 2020-12-01 Francesco Tonin , Panagiotis Patrinos , Johan A. K. Suykens

Unlike typical visual scene recognition domains, in which massive datasets are accessible to deep neural networks, medical image interpretations are often obstructed by the paucity of data. In this paper, we investigate the effectiveness of…

Computer Vision and Pattern Recognition · Computer Science 2024-04-05 Keqiang Fan , Xiaohao Cai , Mahesan Niranjan

We propose a boundary neuron method with random features (BNM-RF) for solving partial differential equations. The method approximates the unknown boundary function by a shallow network within the boundary integral formulation. With randomly…

Numerical Analysis · Mathematics 2026-03-30 Ye Lin , Wentao Liu , Young Ju Lee , Jiwei Jia

Graph Neural Networks (GNNs) have shown remarkable performance across various domains, yet they often struggle with model bias, particularly in the presence of class imbalance. This bias can lead to suboptimal performance and unfair…

Machine Learning · Computer Science 2025-05-26 Jiawei Gu , Ziyue Qiao , Xiao Luo

Random feature latent variable models (RFLVMs) represent the state-of-the-art in latent variable models, capable of handling non-Gaussian likelihoods and effectively uncovering patterns in high-dimensional data. However, their heavy…

Machine Learning · Computer Science 2024-10-24 Ying Li , Zhidi Lin , Yuhao Liu , Michael Minyi Zhang , Pablo M. Olmos , Petar M. Djurić

One of the major advantages in using Deep Learning for Finance is to embed a large collection of information into investment decisions. A way to do that is by means of compression, that lead us to consider a smaller feature space. Several…

Trading and Market Microstructure · Quantitative Finance 2017-04-12 Luigi Troiano , Elena Mejuto , Pravesh Kriplani

Fractional Laplace equations are becoming important tools for mathematical modeling and prediction. Recent years have shown much progress in developing accurate and robust algorithms to numerically solve such problems, yet most solvers for…

Numerical Analysis · Mathematics 2018-08-03 Harbir Antil , Yanlai Chen , Akil Narayan

Nonnegative matrix factorization (NMF) has an established reputation as a useful data analysis technique in numerous applications. However, its usage in practical situations is undergoing challenges in recent years. The fundamental factor…

Machine Learning · Computer Science 2016-05-04 Mariano Tepper , Guillermo Sapiro

A recent line of work in NLP focuses on the (dis)ability of models to generalise compositionally for artificial languages. However, when considering natural language tasks, the data involved is not strictly, or locally, compositional.…

Computation and Language · Computer Science 2023-02-01 Verna Dankers , Ivan Titov

In audio applications, one of the most important representations of audio signals is the amplitude spectrogram. It is utilized in many machine-learning-based information processing methods including the ones using the restricted Boltzmann…

Audio and Speech Processing · Electrical Eng. & Systems 2020-06-26 Toru Nakashika , Kohei Yatabe

Multiple model reduction techniques have been proposed to tackle linear and non linear problems. Intrusive model order reduction techniques exhibit high accuracy levels, however, they are rarely used as a standalone industrial tool, because…

Computational Engineering, Finance, and Science · Computer Science 2025-04-10 Mikhael Tannous , Chady Ghnatios , Eivind Fonn , Trond Kvamsdal , Francisco Chinesta
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