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A quantum theory on conformation-electron system is presented. Protein folding is regarded as the quantum transition between torsion states on polypeptide chain, and the folding rate is calculated by nonadiabatic operator method. The theory…

Biomolecules · Quantitative Biology 2011-02-21 Liaofu Luo , Jun Lu

We present a simple model that recalls two different patterns depending on the temperature. To realize a change in recall pattern due to temperature change, we embed two patterns to different graphs: the first pattern into a fully connected…

Disordered Systems and Neural Networks · Physics 2026-02-25 Munetaka Sasaki

Complex numerical weather prediction models incorporate a variety of physical processes, each described by multiple alternative physical schemes with specific parameters. The selection of the physical schemes and the choice of the…

Numerical Analysis · Computer Science 2018-02-23 Azam Moosavi , Vishwas Rao , Adrian Sandu

Increasing shares of fluctuating renewable energy sources induce higher and higher power flow variability at the transmission level. The question arises as to what extent existing networks can absorb additional fluctuating power injection…

Systems and Control · Computer Science 2014-11-18 Markus Schläpfer , Pierluigi Mancarella

Machine learning models are typically deployed in a test setting that differs from the training setting, potentially leading to decreased model performance because of domain shift. If we could estimate the performance that a pre-trained…

Computer Vision and Pattern Recognition · Computer Science 2022-07-21 Zeju Li , Konstantinos Kamnitsas , Mobarakol Islam , Chen Chen , Ben Glocker

Nuclear matter at finite temperature and barion density exhibits several phase transitions that could happen at the early stages of the Universe evolution and could be realized in heavy-ion or hadron-hadron collisions. Microscopic…

High Energy Physics - Phenomenology · Physics 2015-02-26 V. I. Yukalov , E. P. Yukalova

Confidence calibration -- the problem of predicting probability estimates representative of the true correctness likelihood -- is important for classification models in many applications. We discover that modern neural networks, unlike…

Machine Learning · Computer Science 2017-08-04 Chuan Guo , Geoff Pleiss , Yu Sun , Kilian Q. Weinberger

Object pose estimation is an integral part of robot vision and AR. Previous 6D pose retrieval pipelines treat the problem either as a regression task or discretize the pose space to classify. We change this paradigm and reformulate the…

Computer Vision and Pattern Recognition · Computer Science 2020-12-02 Benjamin Busam , Hyun Jun Jung , Nassir Navab

This article addresses the challenge of adapting data-based models over time. We propose a novel two-fold modelling architecture designed to correct plant-model mismatch caused by two types of uncertainty. Out-of-domain uncertainty arises…

Systems and Control · Electrical Eng. & Systems 2025-07-17 Laura Boca de Giuli , Alessio La Bella , Riccardo Scattolini

Recent work has observed that one can outperform exact inference in Bayesian neural networks by tuning the "temperature" of the posterior on a validation set (the "cold posterior" effect). To help interpret this phenomenon, we argue that…

Machine Learning · Statistics 2020-08-04 Ben Adlam , Jasper Snoek , Samuel L. Smith

Identifying phase transitions and classifying phases of matter is central to understanding the properties and behavior of a broad range of material systems. In recent years, machine-learning (ML) techniques have been successfully applied to…

Disordered Systems and Neural Networks · Physics 2023-06-23 Julian Arnold , Frank Schäfer

In this study, we employ analytical and numerical techniques to examine a phase transition model with moving boundaries. The model displays two relevant spatial scales pointing out to a macroscopic phase and a microscopic phase, interacting…

Numerical Analysis · Mathematics 2024-08-01 Michael Eden , Tom Freudenberg , Adrian Muntean

Starting from the observation that artificial neural networks are uniquely suited to solving optimisation problems, and most physics problems can be cast as an optimisation task, we introduce a novel way of finding a numerical solution to…

High Energy Physics - Phenomenology · Physics 2019-07-10 Maria Laura Piscopo , Michael Spannowsky , Philip Waite

While Bayesian neural networks (BNNs) provide a sound and principled alternative to standard neural networks, an artificial sharpening of the posterior usually needs to be applied to reach comparable performance. This is in stark contrast…

Machine Learning · Computer Science 2023-07-19 Gregor Bachmann , Lorenzo Noci , Thomas Hofmann

We study the possibility of using machine learning for the calculation of the bounce action in quantum tunneling. Adopting supervised learning, we train neural network to give the bounce action from a given potential. It is found that, for…

High Energy Physics - Theory · Physics 2018-06-12 Ryusuke Jinno

A computational revolution unleashed the power of artificial neural networks. At the heart of that revolution is automatic differentiation, which calculates the derivative of a performance measure relative to a large number of parameters.…

Quantitative Methods · Quantitative Biology 2023-12-27 Steven A. Frank

We introduce a new method to identify phase boundaries in physical systems. It is based on training a predictive model such as a neural network to infer a physical system's parameters from its state. The deviation of the inferred parameters…

Statistical Mechanics · Physics 2019-06-12 Frank Schäfer , Niels Lörch

Thermal errors in machine tools significantly impact machining precision and productivity. Traditional thermal error correction/compensation methods rely on measured temperature-deformation fields or on transfer functions. Most existing…

Machine Learning · Computer Science 2025-10-07 C. Coelho , M. Hohmann , D. Fernández , L. Penter , S. Ihlenfeldt , O. Niggemann

Bayesian calibration of computer models tunes unknown input parameters by comparing outputs with observations. For model outputs that are distributed over space, this becomes computationally expensive because of the output size. To overcome…

Methodology · Statistics 2018-10-05 Kai-Lan Chang , Serge Guillas

With an auxiliary weak external magnetic field, we reexamine the fundamental thermodynamic function, Gibbs free energy F(T, h), to study the phase transitions in the classical spin lattice models. A cross derivative, i.e. the second-order…

Strongly Correlated Electrons · Physics 2020-04-22 Y. Chen , K. Ji , Z. Y. Xie , J. F. Yu