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Gradient matching with Gaussian processes is a promising tool for learning parameters of ordinary differential equations (ODE's). The essence of gradient matching is to model the prior over state variables as a Gaussian process which…

Machine Learning · Statistics 2016-10-25 Nico S. Gorbach , Stefan Bauer , Joachim M. Buhmann

This paper reports the development of TOUCANS, a new Monte Carlo neutron transport code fully written using the Geant4 toolkit. It aims at modeling complex systems easily and rapidly, thanks to a simple key-value input file. While its main…

Accelerator Physics · Physics 2023-04-10 L. Thulliez , B. Mom , E. Dumonteil

Making general particle transport simulation for high-energy physics (HEP) single-instruction-multiple-thread (SIMT) friendly, to take advantage of accelerator hardware, is an important alternative for boosting the throughput of simulation…

Many machine learning methods have been recently developed to circumvent the high computational cost of the gradient-based topology optimization. These methods typically require extensive and costly datasets for training, have a difficult…

Machine Learning · Computer Science 2021-05-10 Mohammad Mahdi Behzadi , Horea T. Ilies

An investigation is in progress to evaluate extensively and quantitatively the possible benefits and drawbacks of new programming paradigms in a Monte Carlo simulation environment, namely in the domain of physics modeling. The prototype…

A set of physics models for nanodosimetry simulation is being re-engineered for use in Geant4-based simulations. This extension of Geant4 capabilities is part of a larger scale R&D project for multi-scale simulation involving adaptable,…

Computational Physics · Physics 2009-12-10 E. Gargioni , V. Grichine , M. G. Pia

We formulate the first differentiable analog quantum computing framework with a specific parameterization design at the analog signal (pulse) level to better exploit near-term quantum devices via variational methods. We further propose a…

Quantum Physics · Physics 2022-10-31 Jiaqi Leng , Yuxiang Peng , Yi-Ling Qiao , Ming Lin , Xiaodi Wu

Pretrained Foundation Models (PFMs) have transformed numerous applications by enabling efficient adaptation to customized tasks. Parameter-Efficient Fine-Tuning (PEFT) has emerged as a resource-efficient alternative to full fine-tuning,…

Machine Learning · Computer Science 2025-06-16 Baoquan Zhang , Guangning Xu , Michael. K. Ng

Automatic differentiation (AD) is a range of algorithms to compute the numeric value of a function's (partial) derivative, where the function is typically given as a computer program or abstract syntax tree. AD has become immensely popular…

Programming Languages · Computer Science 2023-05-16 Tom Schrijvers , Birthe van den Berg , Fabrizio Riguzzi

Global probabilistic inversion within the latent space learned by a Generative Adversarial Network (GAN) has been recently demonstrated. Compared to inversion on the original model space, using the latent space of a trained GAN can offer…

We present ForwardDiff, a Julia package for forward-mode automatic differentiation (AD) featuring performance competitive with low-level languages like C++. Unlike recently developed AD tools in other popular high-level languages such as…

Mathematical Software · Computer Science 2016-07-28 Jarrett Revels , Miles Lubin , Theodore Papamarkou

Computing partial differential equation (PDE) operators via nested backpropagation is expensive, yet popular, and severely restricts their utility for scientific machine learning. Recent advances, like the forward Laplacian and randomizing…

Machine Learning · Computer Science 2025-11-25 Felix Dangel , Tim Siebert , Marius Zeinhofer , Andrea Walther

Recent advances in neural-network architecture allow for seamless integration of convex optimization problems as differentiable layers in an end-to-end trainable neural network. Integrating medium and large scale quadratic programs into a…

Optimization and Control · Mathematics 2021-12-15 Andrew Butler , Roy Kwon

Algorithmic Differentiation (AD) can be used to automate the generation of derivatives in arbitrary software projects. This will generate maintainable derivatives, that are always consistent with the computation of the software. If a domain…

Mathematical Software · Computer Science 2018-03-13 Max Sagebaum , Nicolas R. Gauger

The fast simulation of dynamical systems is a key challenge in many scientific and engineering applications, such as weather forecasting, disease control, and drug discovery. With the recent success of deep learning, there is increasing…

Machine Learning · Computer Science 2024-10-02 Zezheng Song , Jiaxin Yuan , Haizhao Yang

Experiments measuring fission observables encounter false coincidences arising from timing overlap of separate fission product decays. Simulations of both fission observables and particles in detector systems exist, but have not yet been…

Instrumentation and Detectors · Physics 2025-06-10 Liam Walker , Jack Shire , Jacob Jaffe , Payton Sprando , Jack Olinger , Alexander Chemey

Parameter identification for mechanistic Ordinary Differential Equation (ODE) models underpins prediction and control in several applications, yet remains a manual and labor-intensive process: datasets are noisy and partial, models can be…

Computational Engineering, Finance, and Science · Computer Science 2025-09-16 Saakaar Bhatnagar

Geant4 is a Monte Carlo simulation framework for the description of interactions of particles and matter. Starting with version 8.2 a new package of QED physics processes is available, allowing for the studies of interactions of polarised…

Instrumentation and Detectors · Physics 2009-02-16 Andreas Schälicke , Karim Laihem , Pavel Starovoitov

En este trabajo se presenta una propuesta para realizar Diferenciaci\'on Autom\'atica Anidada utilizando cualquier biblioteca de Diferenciaci\'on Autom\'atica que permita sobrecarga de operadores. Para calcular las derivadas anidadas en una…

Symbolic Computation · Computer Science 2014-05-23 Juan Luis Valerdi

In this paper we use deep feedforward artificial neural networks to approximate solutions to partial differential equations in complex geometries. We show how to modify the backpropagation algorithm to compute the partial derivatives of the…

Machine Learning · Statistics 2018-08-28 Jens Berg , Kaj Nyström