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Computer programs may go wrong due to exceptional behaviors, out-of-bound array accesses, or simply coding errors. Thus, they cannot be blindly trusted. Scientific computing programs make no exception in that respect, and even bring…

Automatic differentiation represents a paradigm shift in scientific programming, where evaluating both functions and their derivatives is required for most applications. By removing the need to explicitly derive expressions for gradients,…

Chemical Physics · Physics 2022-06-29 Muhammad F. Kasim , Susi Lehtola , Sam M. Vinko

We introduce Lyceum, a high-performance computational ecosystem for robot learning. Lyceum is built on top of the Julia programming language and the MuJoCo physics simulator, combining the ease-of-use of a high-level programming language…

Robotics · Computer Science 2020-01-22 Colin Summers , Kendall Lowrey , Aravind Rajeswaran , Siddhartha Srinivasa , Emanuel Todorov

We present a framework for differentiable quantum transforms. Such transforms are metaprograms capable of manipulating quantum programs in a way that preserves their differentiability. We highlight their potential with a set of relevant…

In this work we present a theoretical model for differentiable programming. We construct an algebraic language that encapsulates formal semantics of differentiable programs by way of Operational Calculus. The algebraic nature of Operational…

Formal Languages and Automata Theory · Computer Science 2019-01-08 Žiga Sajovic , Martin Vuk

Current trends in Machine Learning prefer explainability even when it comes at the cost of performance. Therefore, explainable AI methods are particularly important in the field of Fraud Detection. This work investigates the applicability…

Risk Management · Quantitative Finance 2024-10-30 Boris Wolfson , Erman Acar

Mathematical models allow us to gain a deeper understanding of real-world dynamical systems. One of the most powerful mathematical frameworks for modeling real-world phenomena are systems of differential equations. In the majority of fields…

Disordered Systems and Neural Networks · Physics 2023-05-02 Richard Gast , Thomas R. Knösche , Ann Kennedy

Advances in molecular technologies underlie an enormous growth in the size of data sets pertaining to biology and biomedicine. These advances parallel those in the deep learning subfield of machine learning. Components in the differentiable…

Quantitative Methods · Quantitative Biology 2024-06-14 Alex Jihun Lee , Reza Abbasi-Asl

We introduce a newly designed undergraduate-level interdisciplinary course in scientific computing that aims to prepare students as the next generation of research-oriented computational scientists and engineers. The course offers students…

Physics Education · Physics 2022-04-05 Tulin Kaman , Rouben Rostamian , Shannon W. Dingman

We describe a methodology for designing efficient parallel and distributed scientific software. This methodology utilizes sequences of mechanizable algebra--based optimizing transformations. In this study, we apply our methodology to the…

Software Engineering · Computer Science 2008-11-18 Harry B. Hunt , Lenore R. Mullin , Daniel J. Rosenkrantz , James E. Raynolds

Symbolic mathematical computing systems have served as a canary in the coal mine of software systems for more than sixty years. They have introduced or have been early adopters of programming language ideas such ideas as dynamic memory…

Symbolic Computation · Computer Science 2024-06-14 Arthur C. Norman , Stephen M. Watt

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

Derivative-based algorithms are ubiquitous in statistics, machine learning, and applied mathematics. Automatic differentiation offers an algorithmic way to efficiently evaluate these derivatives from computer programs that execute relevant…

Computation · Statistics 2022-03-01 Charles C. Margossian , Michael Betancourt

Personalized medicine remains a major challenge for scientists. The rapid growth of Machine learning and Deep learning has made them a feasible al- ternative for predicting the most appropriate therapy for individual patients. However, the…

Machine Learning · Computer Science 2025-06-10 Antonio Jesús Banegas-Luna , Horacio Pérez-Sánchez

We motivate the use of differentiable probabilistic programming techniques in order to account for the large model-space inherent to astrophysical $\gamma$-ray analyses. Targeting the longstanding Galactic Center $\gamma$-ray Excess (GCE)…

High Energy Astrophysical Phenomena · Physics 2026-04-13 Siddharth Mishra-Sharma , Tracy R. Slatyer , Yitian Sun , Yuqing Wu

We present a basic high-level structures used for developing quantum programming languages. The presented structures are commonly used in many existing quantum programming languages and we use quantum pseudo-code based on QCL quantum…

Programming Languages · Computer Science 2011-10-10 P. Gawron , J. Klamka , J. A. Miszczak , R. Winiarczyk

We investigate the automatic differentiation of hybrid models, viz. models that may contain delays, logical tests and discontinuities or loops. We consider differentiation with respect to parameters, initial conditions or the time. We…

Systems and Control · Computer Science 2017-06-13 John Masse , Clara Masse , François Ollivier

Probabilistic user modeling is essential for building machine learning systems in the ubiquitous cases with humans in the loop. However, modern advanced user models, often designed as cognitive behavior simulators, are incompatible with…

Machine Learning · Computer Science 2023-06-29 Alex Hämäläinen , Mustafa Mert Çelikok , Samuel Kaski

MLJ (Machine Learing in Julia) is an open source software package providing a common interface for interacting with machine learning models written in Julia and other languages. It provides tools and meta-algorithms for selecting, tuning,…

Machine Learning · Computer Science 2020-12-01 Anthony D. Blaom , Franz Kiraly , Thibaut Lienart , Yiannis Simillides , Diego Arenas , Sebastian J. Vollmer

We present a Julia package, DisjunctiveProgramming.jl, that extends the functionality in JuMP.jl to allow modeling problems via logical propositions and disjunctive constraints. Such models can then be reformulated into Mixed-Integer…

Logic in Computer Science · Computer Science 2023-04-21 Hector D. Perez , Shivank Joshi , Ignacio E. Grossmann