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Foundational Machine Learning Potentials can resolve the accuracy and transferability limitations of classical force fields. They enable microscopic insights into material behavior through Molecular Dynamics simulations, which can crucially…

Computational Physics · Physics 2025-12-04 Paul Fuchs , Julija Zavadlav

We present a tree structure algorithm for optimal control problems with state constraints. We prove a convergence result for a discrete time approximation of the value function based on a novel formulation of the constrained problem. Then…

Numerical Analysis · Mathematics 2020-09-29 Alessandro Alla , Maurizio Falcone , Luca Saluzzi

Data-driven machine learning models often require extensive datasets, which can be costly or inaccessible, and their predictions may fail to comply with established physical laws. Current approaches for incorporating physical priors…

Machine Learning · Computer Science 2025-11-19 Matilde Valente , Tiago C. Dias , Vasco Guerra , Rodrigo Ventura

Wireless sensor networks (WSNs) are the foundation of the Internet of Things (IoT), and in the era of the fifth generation of wireless communication networks, they are envisioned to be truly ubiquitous, reliable, scalable, and energy…

Signal Processing · Electrical Eng. & Systems 2019-11-01 Xiangyue Meng , Hazer Inaltekin , Brian Krongold

Transportation and traffic are currently undergoing a rapid increase in terms of both scale and complexity. At the same time, an increasing share of traffic participants are being transformed into agents driven or supported by artificial…

Machine Learning · Computer Science 2018-10-24 Mark Schutera , Niklas Goby , Dirk Neumann , Markus Reischl

Neural Networks and Decision Trees: two popular techniques for supervised learning that are seemingly disconnected in their formulation and optimization method, have recently been combined in a single construct. The connection pivots on…

Machine Learning · Statistics 2020-02-27 Giuseppe Nuti , Lluís Antoni Jiménez Rugama , Kaspar Thommen

Recently, deep neural networks have expanded the state-of-art in various scientific fields and provided solutions to long standing problems across multiple application domains. Nevertheless, they also suffer from weaknesses since their…

Machine Learning · Computer Science 2023-05-03 Felipe Kenji Nakano , Konstantinos Pliakos , Celine Vens

Canonical distances such as Euclidean distance often fail to capture the appropriate relationships between items, subsequently leading to subpar inference and prediction. Many algorithms have been proposed for automated learning of suitable…

Machine Learning · Statistics 2020-08-24 Tyler M. Tomita , Joshua T. Vogelstein

Data analysis and machine learning have become an integrative part of the modern scientific methodology, offering automated procedures for the prediction of a phenomenon based on past observations, unraveling underlying patterns in data and…

Machine Learning · Statistics 2015-06-04 Gilles Louppe

Mapping standing dead trees is crucial for acquiring information on the effects of climate change on forests and forest biodiversity. However, leveraging high-quality aerial imagery for dead tree segmentation poses challenges due to…

Computer Vision and Pattern Recognition · Computer Science 2026-05-05 Mete Ahishali , Anis Ur Rahman , Einari Heinaro , Aysen Degerli , Samuli Junttila

Density Functional Theory (DFT) allows for predicting all the chemical and physical properties of molecular systems from first principles by finding an approximate solution to the many-body Schr\"odinger equation. However, the cost of these…

Machine Learning · Computer Science 2025-06-03 Majdi Hassan , Cristian Gabellini , Hatem Helal , Dominique Beaini , Kirill Neklyudov

The global demand for unconventional energy sources such as geothermal energy and white hydrogen requires new exploration techniques for precise subsurface structure characterization and potential reservoir identification. The…

Geophysics · Physics 2025-01-15 Paul Goyes-Peñafiel , Umair bin Waheed , Henry Arguello

Energy systems optimization problems are complex due to strongly non-linear system behavior and multiple competing objectives, e.g. economic gain vs. environmental impact. Moreover, a large number of input variables and different variable…

We present a physics-constrained control-oriented deep learning method for modeling building thermal dynamics. The proposed method is based on the systematic encoding of physics-based prior knowledge into a structured recurrent neural…

Machine Learning · Computer Science 2020-11-13 Jan Drgona , Aaron R. Tuor , Vikas Chandan , Draguna L. Vrabie

Climate models (CM) are used to evaluate the impact of climate change on the risk of floods and strong precipitation events. However, these numerical simulators have difficulties representing precipitation events accurately, mainly due to…

Computational Engineering, Finance, and Science · Computer Science 2021-02-15 Rilwan Adewoyin , Peter Dueben , Peter Watson , Yulan He , Ritabrata Dutta

We propose new methods for Support Vector Machines (SVMs) using tree architecture for multi-class classi- fication. In each node of the tree, we select an appropriate binary classifier using entropy and generalization error estimation, then…

Machine Learning · Computer Science 2017-08-29 Pittipol Kantavat , Boonserm Kijsirikul , Patoomsiri Songsiri , Ken-ichi Fukui , Masayuki Numao

In driving scenarios, automobile active safety systems are increasingly incorporating deep learning technology. These systems typically need to handle multiple tasks simultaneously, such as detecting fatigue driving and recognizing the…

Computer Vision and Pattern Recognition · Computer Science 2024-05-14 Shulei Qu , Zhenguo Gao , Xiaowei Chen , Na Li , Yakai Wang , Xiaoxiao Wu

This work introduces a novel interpretable machine learning method called Mixture of Decision Trees (MoDT). It constitutes a special case of the Mixture of Experts ensemble architecture, which utilizes a linear model as gating function and…

Machine Learning · Computer Science 2022-11-29 Simeon Brüggenjürgen , Nina Schaaf , Pascal Kerschke , Marco F. Huber

Quantifying predictive uncertainty is essential for safe and trustworthy real-world AI deployment. Yet, fully nonparametric estimation of conditional distributions remains challenging for multivariate targets. We propose Tomographic…

Machine Learning · Computer Science 2026-04-06 Takuya Kanazawa

Active researches are currently being performed to incorporate the wealth of scientific knowledge into data-driven approaches (e.g., neural networks) in order to improve the latter's effectiveness. In this study, the Theory-guided Neural…

Machine Learning · Computer Science 2020-03-03 Nanzhe Wang , Dongxiao Zhang , Haibin Chang , Heng Li
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