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Deep learning (DL) workflows demand an ever-increasing budget of compute and energy in order to achieve outsized gains. Neural architecture searches, hyperparameter sweeps, and rapid prototyping consume immense resources that can prevent…

Graph neural networks (GNNs) have achieved tremendous success on multiple graph-based learning tasks by fusing network structure and node features. Modern GNN models are built upon iterative aggregation of neighbor's/proximity features by…

Machine Learning · Computer Science 2021-06-15 Susheel Suresh , Vinith Budde , Jennifer Neville , Pan Li , Jianzhu Ma

Neural networks rely on learning synaptic weights. However, this overlooks other neural parameters that can also be learned and may be utilized by the brain. One such parameter is the delay: the brain exhibits complex temporal dynamics with…

Neural and Evolutionary Computing · Computer Science 2025-11-03 Pengfei Sun , Jascha Achterberg , Zhe Su , Dan F. M. Goodman , Danyal Akarca

Hypergraphs are a powerful abstraction for representing higher-order interactions between entities of interest. To exploit these relationships in making downstream predictions, a variety of hypergraph neural network architectures have…

Machine Learning · Computer Science 2023-06-21 Yuxin Wang , Quan Gan , Xipeng Qiu , Xuanjing Huang , David Wipf

Machine Learning techniques can be used to represent high-dimensional potential energy surfaces for reactive chemical systems. Two such methods are based on a reproducing kernel Hilbert space representation or on deep neural networks. They…

Chemical Physics · Physics 2019-09-19 Oliver T. Unke , Markus Meuwly

Graph neural networks have become a staple in problems addressing learning and analysis of data defined over graphs. However, several results suggest an inherent difficulty in extracting better performance by increasing the number of…

Machine Learning · Computer Science 2021-03-30 Diego Valsesia , Giulia Fracastoro , Enrico Magli

Many modern multiclass and multilabel problems are characterized by increasingly large output spaces. For these problems, label embeddings have been shown to be a useful primitive that can improve computational and statistical efficiency.…

Machine Learning · Computer Science 2015-07-07 Paul Mineiro , Nikos Karampatziakis

New algorithms are devised for finding the maxima of multidimensional point samples, one of the very first problems studied in computational geometry. The algorithms are very simple and easily coded and modified for practical needs. The…

Data Structures and Algorithms · Computer Science 2009-10-09 Wei-Mei Chen , Hsien-Kuei Hwang , Tsung-Hsi Tsai

We apply recent advances in machine learning and computer vision to a central problem in materials informatics: The statistical representation of microstructural images. We use activations in a pre-trained convolutional neural network to…

Computational Physics · Physics 2018-12-04 Nicholas Lubbers , Turab Lookman , Kipton Barros

Differential measurements of particle collisions or decays can provide stringent constraints on physics beyond the Standard Model of particle physics. In particular, the distributions of the kinematical and angular variables that…

Data Analysis, Statistics and Probability · Physics 2016-02-12 Benoit Viaud

The escalating parameter counts in modern deep learning models pose a fundamental challenge to efficient training and resolution of overfitting. We address this by introducing the \emph{Mapping Networks} which replace the high dimensional…

Computer Vision and Pattern Recognition · Computer Science 2026-02-24 Lord Sen , Shyamapada Mukherjee

Signal-background classification is a central problem in High-Energy Physics (HEP), that plays a major role for the discovery of new fundamental particles. A recent method -- the Parametric Neural Network (pNN) -- leverages multiple signal…

High Energy Physics - Experiment · Physics 2022-11-15 Luca Anzalone , Tommaso Diotalevi , Daniele Bonacorsi

We present an approach for maximizing a global utility function by learning how to allocate resources in an unsupervised way. We expect interactions between allocation targets to be important and therefore propose to learn the reward…

Machine Learning · Computer Science 2021-06-21 Miles Cranmer , Peter Melchior , Brian Nord

We provide a rigorous mathematical treatment to the crowding issue in data visualization when high dimensional data sets are projected down to low dimensions for visualization. By properly adjusting the capacity of high dimensional balls,…

Machine Learning · Computer Science 2021-06-02 Rongrong Wang , Xiaopeng Zhang

Graph embeddings have emerged as a powerful tool for representing complex network structures in a low-dimensional space, enabling the use of efficient methods that employ the metric structure in the embedding space as a proxy for the…

Social and Information Networks · Computer Science 2024-04-18 Radosław Nowak , Adam Małkowski , Daniel Cieślak , Piotr Sokół , Paweł Wawrzyński

We consider the problem of multi-task learning in the high dimensional setting. In particular, we introduce an estimator and investigate its statistical and computational properties for the problem of multiple connected linear regressions…

Machine Learning · Statistics 2023-07-03 Amir Asiaee , Samet Oymak , Kevin R. Coombes , Arindam Banerjee

To facilitate widespread adoption of automated engineering design techniques, existing methods must become more efficient and generalizable. In the field of topology optimization, this requires the coupling of modern optimization methods…

Computational Engineering, Finance, and Science · Computer Science 2024-02-23 Connor N. Mallon , Aaron W. Thornton , Matthew R. Hill , Santiago Badia

Deep Neural Networks (DNNs) have achieved great success in a variety of machine learning (ML) applications, delivering high-quality inferencing solutions in computer vision, natural language processing, and virtual reality, etc. However,…

Machine Learning · Computer Science 2022-08-29 Xiaofan Zhang , Yao Chen , Cong Hao , Sitao Huang , Yuhong Li , Deming Chen

Machine Learning is a powerful tool to reveal and exploit correlations in a multi-dimensional parameter space. Making predictions from such correlations is a highly non-trivial task, in particular when the details of the underlying dynamics…

High Energy Physics - Phenomenology · Physics 2019-01-30 Christoph Englert , Peter Galler , Philip Harris , Michael Spannowsky

Affinity graphs are widely used in deep architectures, including graph convolutional neural networks and attention networks. Thus far, the literature has focused on abstracting features from such graphs, while the learning of the affinities…

Computer Vision and Pattern Recognition · Computer Science 2020-03-23 Chu Wang , Babak Samari , Vladimir G. Kim , Siddhartha Chaudhuri , Kaleem Siddiqi