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Ensemble weather predictions require statistical post-processing of systematic errors to obtain reliable and accurate probabilistic forecasts. Traditionally, this is accomplished with distributional regression models in which the parameters…

Machine Learning · Statistics 2019-04-01 Stephan Rasp , Sebastian Lerch

After training complex deep learning models, a common task is to compress the model to reduce compute and storage demands. When compressing, it is desirable to preserve the original model's per-example decisions (e.g., to go beyond top-1…

Machine Learning · Computer Science 2022-10-18 Jerry Chee , Megan Renz , Anil Damle , Christopher De Sa

The predictive power of neural networks often costs model interpretability. Several techniques have been developed for explaining model outputs in terms of input features; however, it is difficult to translate such interpretations into…

Machine Learning · Computer Science 2017-08-17 Benjamin J. Lengerich , Sandeep Konam , Eric P. Xing , Stephanie Rosenthal , Manuela Veloso

Machine learning approaches to nuclear mass prediction have achieved remarkable accuracy, but typically rely on existing theoretical baselines or hand-crafted physics features. Here we demonstrate that these prerequisites can be supplanted…

Nuclear Theory · Physics 2026-03-11 Peiwen Zai , Wei Cheng , Feng-Shou Zhang

This work investigates the framework and performance issues of the composite neural network, which is composed of a collection of pre-trained and non-instantiated neural network models connected as a rooted directed acyclic graph for…

Machine Learning · Computer Science 2021-07-20 Ming-Chuan Yang , Meng Chang Chen

Artificial neural networks have been proposed as potential algorithms that could benefit from being implemented and run on quantum computers. In particular, they hold promise to greatly enhance Artificial Intelligence tasks, such as image…

Quantum Physics · Physics 2021-03-04 Stefano Mangini , Francesco Tacchino , Dario Gerace , Chiara Macchiavello , Daniele Bajoni

The chart of the nuclides is limited by particle drip lines beyond which nuclear stability to proton or neutron emission is lost. Predicting the range of particle-bound isotopes poses an appreciable challenge for nuclear theory as it…

The kernel ridge regression (KRR) approach is extended to include the odd-even effects in nuclear mass predictions by remodulating the kernel function without introducing new weight parameters and inputs in the training network. By taking…

Nuclear Theory · Physics 2021-06-03 X. H. Wu , L. H. Guo , P. W. Zhao

Differential equations are a ubiquitous tool to study dynamics, ranging from physical systems to complex systems, where a large number of agents interact through a graph with non-trivial topological features. Data-driven approximations of…

Statistical Mechanics · Physics 2024-04-26 Vaiva Vasiliauskaite , Nino Antulov-Fantulin

The prediction of nuclear observables beyond the finite model spaces that are accessible through modern ab initio methods, such as the no-core shell model, pose a challenging task in nuclear structure theory. It requires reliable tools for…

Nuclear Theory · Physics 2023-03-15 Marco Knöll , Tobias Wolfgruber , Marc L. Agel , Cedric Wenz , Robert Roth

A simple, fully connected neural network with a single hidden layer is used to estimate stellar masses for star-forming galaxies. The model is trained on broad-band photometry - from far-ultraviolet to mid-infrared wavelengths - generated…

Instrumentation and Methods for Astrophysics · Physics 2025-07-15 E. Elson

Techniques for understanding the functioning of complex machine learning models are becoming increasingly popular, not only to improve the validation process, but also to extract new insights about the data via exploratory analysis. Though…

Machine Learning · Statistics 2018-11-02 Jayaraman J. Thiagarajan , Irene Kim , Rushil Anirudh , Peer-Timo Bremer

We introduce a novel method for studying systematic trends in nuclear reaction data using generative adversarial networks. Libraries of nuclear cross section evaluations exhibit intricate systematic trends across the nuclear landscape, and…

Nuclear Theory · Physics 2024-05-01 Jordan M. R. Fox , Kyle A. Wendt

Neural networks currently dominate the machine learning community and they do so for good reasons. Their accuracy on complex tasks such as image classification is unrivaled at the moment and with recent improvements they are reasonably easy…

Machine Learning · Computer Science 2019-01-21 Sascha Saralajew , Lars Holdijk , Maike Rees , Thomas Villmann

In this work we explore the application of deep neural networks to the optimization of atomic layer deposition processes based on thickness values obtained at different points of an ALD reactor. We introduce a dataset designed to train…

Machine Learning · Computer Science 2024-06-19 Angel Yanguas-Gil , Jeffrey W. Elam

Neural network (NN) interatomic potentials provide fast prediction of potential energy surfaces, closely matching the accuracy of the electronic structure methods used to produce the training data. However, NN predictions are only reliable…

Machine Learning · Computer Science 2021-08-31 Daniel Schwalbe-Koda , Aik Rui Tan , Rafael Gómez-Bombarelli

Functions are rich in meaning and can be interpreted in a variety of ways. Neural networks were proven to be capable of approximating a large class of functions[1]. In this paper, we propose a new class of neural networks called "Neural…

Machine Learning · Computer Science 2020-01-16 Firat Tuna

The Garvey-Kelson relations are used in an iterative process to predict nuclear masses in the neighborhood of nuclei with measured masses. Average errors in the predicted masses for the first three iteration shells are smaller than those…

Nuclear Theory · Physics 2009-08-17 Irving O. Morales , J. C. López Vieyra , J. G. Hirsch , A. Frank

Predicting the structure of multi-protein complexes is a grand challenge in biochemistry, with major implications for basic science and drug discovery. Computational structure prediction methods generally leverage pre-defined structural…

Biomolecules · Quantitative Biology 2021-01-26 Stephan Eismann , Raphael J. L. Townshend , Nathaniel Thomas , Milind Jagota , Bowen Jing , Ron O. Dror

Conventional Neural Networks can approximate simple arithmetic operations, but fail to generalize beyond the range of numbers that were seen during training. Neural Arithmetic Units aim to overcome this difficulty, but current arithmetic…

Machine Learning · Computer Science 2020-12-18 Niklas Heim , Tomáš Pevný , Václav Šmídl