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Artificial Neural Networks (ANN) are already heavily involved in methods and applications for frequent tasks in the field of computational chemistry such as representation of potential energy surfaces (PES) and spectroscopic predictions.…

Chemical Physics · Physics 2022-12-23 Silvan Käser , Luis Itza Vazquez-Salazar , Markus Meuwly , Kai Töpfer

Embedded distributed inference of Neural Networks has emerged as a promising approach for deploying machine-learning models on resource-constrained devices in an efficient and scalable manner. The inference task is distributed across a…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-05-07 Federico Nicolás Peccia , Oliver Bringmann

We propose a new neural network framework, termed Neural Network Machine Regression (NNMR), which integrates trainable input gating and adaptive depth regularization to jointly perform feature selection and function estimation in an…

Methodology · Statistics 2026-02-03 Jiuchen Zhang , Ling Zhou , Peter Song

Deep neural networks (DNNs) have transformed fields such as computer vision and natural language processing by employing architectures aligned with domain-specific structural patterns. In algorithmic trading, however, there remains a lack…

Machine Learning · Computer Science 2025-12-16 Longfei Lu

Graph neural networks (GNNs) demonstrate great performance in compound property and activity prediction due to their capability to efficiently learn complex molecular graph structures. However, two main limitations persist including…

Biomolecules · Quantitative Biology 2023-10-10 Apakorn Kengkanna , Masahito Ohue

Graph neural network (GNN) is a promising approach to learning and predicting physical phenomena described in boundary value problems, such as partial differential equations (PDEs) with boundary conditions. However, existing models…

Machine Learning · Computer Science 2023-03-24 Masanobu Horie , Naoto Mitsume

Markov Logic Networks (MLNs), which elegantly combine logic rules and probabilistic graphical models, can be used to address many knowledge graph problems. However, inference in MLN is computationally intensive, making the industrial-scale…

Artificial Intelligence · Computer Science 2020-02-05 Yuyu Zhang , Xinshi Chen , Yuan Yang , Arun Ramamurthy , Bo Li , Yuan Qi , Le Song

Probabilistic time series forecasting is crucial in many application domains such as retail, ecommerce, finance, or biology. With the increasing availability of large volumes of data, a number of neural architectures have been proposed for…

Machine Learning · Computer Science 2021-12-15 Olivier Sprangers , Sebastian Schelter , Maarten de Rijke

Improving the robustness of neural nets in regression tasks is key to their application in multiple domains. Deep learning-based approaches aim to achieve this goal either by improving their prediction of specific values (i.e., point…

Machine Learning · Computer Science 2021-06-22 Eli Simhayev , Gilad Katz , Lior Rokach

Bayesian neural networks (BNNs) augment deep networks with uncertainty quantification by Bayesian treatment of the network weights. However, such models face the challenge of Bayesian inference in a high-dimensional and usually…

Machine Learning · Computer Science 2021-03-30 Zhijie Deng , Yucen Luo , Jun Zhu , Bo Zhang

This paper addresses how a recursive neural network model can automatically leave out useless information and emphasize important evidence, in other words, to perform "weight tuning" for higher-level representation acquisition. We propose…

Neural and Evolutionary Computing · Computer Science 2014-12-16 Jiwei Li

Graph Neural Networks (GNNs), neural network architectures targeted to learning representations of graphs, have become a popular learning model for prediction tasks on nodes, graphs and configurations of points, with wide success in…

Machine Learning · Computer Science 2022-04-19 Stefanie Jegelka

The adoption of Convolutional Neural Network (CNN) models in high-stake domains is hindered by their inability to meet society's demand for transparency in decision-making. So far, a growing number of methodologies have emerged for…

Computer Vision and Pattern Recognition · Computer Science 2025-02-18 George Dimas , Eirini Cholopoulou , Dimitris K. Iakovidis

Deep Neural Networks (DNNs) are widely used for decision making in a myriad of critical applications, ranging from medical to societal and even judicial. Given the importance of these decisions, it is crucial for us to be able to interpret…

Computer Vision and Pattern Recognition · Computer Science 2022-11-28 Teddy Koker , Fatemehsadat Mireshghallah , Tom Titcombe , Georgios Kaissis

Deep neural networks (DNNs) have become ubiquitous thanks to their remarkable ability to model complex patterns across various domains such as computer vision, speech recognition, robotics, etc. While large DNN models are often more…

Machine Learning · Computer Science 2025-11-18 Omkar Shende , Gayathri Ananthanarayanan , Marcello Traiola

Inverse problems arise almost everywhere in science and engineering where we need to infer on a quantity from indirect observation. The cases of medical, biomedical, and industrial imaging systems are the typical examples. A very high…

Machine Learning · Computer Science 2025-02-20 Ali Mohammad-Djafari

Convolutional Neural Networks (CNNs) do not have a predictable recognition behavior with respect to the input resolution change. This prevents the feasibility of deployment on different input image resolutions for a specific model. To…

Computer Vision and Pattern Recognition · Computer Science 2020-07-14 Duo Li , Anbang Yao , Qifeng Chen

In recent years, deep neural networks have been applied to obtain high performance of prediction, classification, and pattern recognition. However, the weights in these deep neural networks are difficult to be explained. Although a linear…

Machine Learning · Computer Science 2020-05-08 Chi-Hua Chen

Modern learning algorithms excel at producing accurate but complex models of the data. However, deploying such models in the real-world requires extra care: we must ensure their reliability, robustness, and absence of undesired biases. This…

Machine Learning · Computer Science 2020-09-10 Maruan Al-Shedivat , Avinava Dubey , Eric P. Xing

Intelligence relies on an agent's knowledge of what it does not know. This capability can be assessed based on the quality of joint predictions of labels across multiple inputs. In principle, ensemble-based approaches produce effective…