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With the increased interest in machine learning, and deep learning in particular, the use of automatic differentiation has become more wide-spread in computation. There have been two recent developments to provide the theoretical support…

Category Theory · Mathematics 2021-01-27 Geoffrey Cruttwell , Jonathan Gallagher , Dorette Pronk

The auto differentiable simulation is a type of simulation that outputs of the simulation include not only the simulation result itself, but also their derivatives with respect to various input parameters. It provides an efficient method to…

Computational Physics · Physics 2025-12-01 Ji Qianga , Yue Hao , Allen Qiang , Jinyu Wan

Artificial intelligence is gaining strength and materials science can both contribute to and profit from it. In a simultaneous progress race, new materials, systems and processes can be devised and optimized thanks to machine learning…

Materials Science · Physics 2022-09-29 Cefe López

The automatic generation of computer programs is one of the main applications with practical relevance in the field of evolutionary computation. With program synthesis techniques not only software developers could be supported in their…

Neural and Evolutionary Computing · Computer Science 2021-08-30 Dominik Sobania , Dirk Schweim , Franz Rothlauf

Data-driven science is an emerging paradigm where scientific discoveries depend on the execution of computational AI models against rich, discipline-specific datasets. With modern machine learning frameworks, anyone can develop and execute…

Machine Learning · Computer Science 2022-08-09 Seth Ockerman , John Wu , Christopher Stewart

The optimization of dynamic problems is both widespread and difficult. When conducting dynamic optimization, a balance between reinitialization and computational expense has to be found. There are multiple approaches to this. In parallel…

Neural and Evolutionary Computing · Computer Science 2014-01-21 Ronald Hochreiter , Christoph Waldhauser

Machine learning and deep learning techniques are contributing much to the advancement of science. Their powerful predictive capabilities appear in numerous disciplines, including chaotic dynamics, but they miss understanding. The main…

General Literature · Computer Science 2021-09-15 Miguel A. F. Sanjuan

Optimization of beamlines and lattices is a common problem in accelerator physics, which is usually solved with semi-analytical methods and numerical optimization routines. However, these are usually of the gradient-free or…

Accelerator Physics · Physics 2025-07-14 Francisco Huhn , Francesco M. Velotti

Artificial intelligence (AI) advancements over the past few years have had an unprecedented and revolutionary impact across everyday application areas. Its significance also extends to technical challenges within science and engineering,…

A multitude of different probabilistic programming languages exists today, all extending a traditional programming language with primitives to support modeling of complex, structured probability distributions. Each of these languages…

Programming Languages · Computer Science 2013-12-17 Luc De Raedt , Angelika Kimmig

Automatic differentiation (AD) aims to compute derivatives of user-defined functions, but in Turing-complete languages, this simple specification does not fully capture AD's behavior: AD sometimes disagrees with the true derivative of a…

Programming Languages · Computer Science 2021-12-07 Alexander K. Lew , Mathieu Huot , Vikash K. Mansinghka

Differentiation is a cornerstone of computing and data analysis in every discipline of science and engineering. Indeed, most fundamental physics laws are expressed as relationships between derivatives in space and time. However, derivatives…

Numerical Analysis · Mathematics 2026-03-10 Pavel Komarov , Floris van Breugel , J. Nathan Kutz

Dijkstra observed that verifying correctness of a program is difficult and conjectured that derivation of a program hand-in-hand with its proof of correctness was the answer. We illustrate this goal-oriented approach by applying it to the…

Mathematical Software · Computer Science 2017-10-13 Devangi N. Parikh , Maggie E. Myers , Robert A. van de Geijn

Interval linear programming provides a tool for solving real-world optimization problems under interval-valued uncertainty. Instead of approximating or estimating crisp input data, the coefficients of an interval program may perturb…

Optimization and Control · Mathematics 2025-10-08 Elif Garajová , Milan Hladík , Miroslav Rada

We propose a notion of state distinguishability that does not refer to probabilities, but rather to the ability of a set of states to serve as programs for a desired set of gates. Using this notion, we reconstruct the structural features of…

Quantum Physics · Physics 2015-05-01 Giulio Chiribella

Dependently typed programming languages allow sophisticated properties of data to be expressed within the type system. Of particular use in dependently typed programming are indexed types that refine data by computationally useful…

Logic in Computer Science · Computer Science 2015-07-01 Robert Atkey , Patricia Johann , Neil Ghani

A core problem in machine learning is to learn expressive latent variables for model prediction on complex data that involves multiple sub-components in a flexible and interpretable fashion. Here, we develop an approach that improves…

Machine Learning · Computer Science 2024-02-13 Yi-Lin Tuan , Zih-Yun Chiu , William Yang Wang

Programming requires much more than just writing code in a programming language. It is usually done in the context of a stateful environment, by interacting with a system through a graphical user interface. Yet, this wide space of…

Programming Languages · Computer Science 2023-02-21 Joel Jakubovic , Jonathan Edwards , Tomas Petricek

Computers are deterministic dynamical systems (CHAOS 19:033124, 2009). Among other things, that implies that one should be able to use deterministic forecast rules to predict their behavior. That statement is sometimes-but not always-true.…

Chaotic Dynamics · Physics 2013-05-24 Joshua Garland , Ryan James , Elizabeth Bradley

In recent years, deep learning techniques have been developed to improve the performance of program synthesis from input-output examples. Albeit its significant progress, the programs that can be synthesized by state-of-the-art approaches…

Machine Learning · Computer Science 2018-03-09 Xinyun Chen , Chang Liu , Dawn Song
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