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Probabilistic modeling is iterative. A scientist posits a simple model, fits it to her data, refines it according to her analysis, and repeats. However, fitting complex models to large data is a bottleneck in this process. Deriving…

Machine Learning · Statistics 2016-03-03 Alp Kucukelbir , Dustin Tran , Rajesh Ranganath , Andrew Gelman , David M. Blei

Algorithmic differentiation (AD) has become increasingly capable and straightforward to use. However, AD is inefficient when applied directly to solvers, a feature of most engineering analyses. We can leverage implicit differentiation to…

Optimization and Control · Mathematics 2023-06-28 Andrew Ning , Taylor McDonnell

Gradient based optimization methods are the established state-of-the-art paradigm to study strongly entangled quantum systems in two dimensions with Projected Entangled Pair States. However, the key ingredient, the gradient itself, has…

Quantum Physics · Physics 2025-04-15 Anna Francuz , Norbert Schuch , Bram Vanhecke

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

Many problems in Physics and Chemistry are formulated as the minimization of a functional. Therefore, methods for solving these problems typically require differentiating maps whose input and/or output are functions -- commonly referred to…

Mathematical Software · Computer Science 2024-06-25 Kangbo Li , Anil Damle

Estimating instruction-level throughput is critical for many applications: multimedia, low-latency networking, medical, automotive, avionic, and industrial control systems all rely on tightly calculable and accurate timing bounds of their…

Programming Languages · Computer Science 2023-05-18 Min-Yih Hsu , Felicitas Hetzelt , David Gens , Michael Maitland , Michael Franz

A characteristic feature of differential-algebraic equations is that one needs to find derivatives of some of their equations with respect to time, as part of so called index reduction or regularisation, to prepare them for numerical…

Numerical Analysis · Mathematics 2017-03-28 John D. Pryce , Nedialko S. Nedialkov , Guangning Tan , Xiao Li

AI coding agents can resolve real-world software issues, yet they frequently introduce regressions -- breaking tests that previously passed. Current benchmarks focus almost exclusively on resolution rate, leaving regression behavior…

Software Engineering · Computer Science 2026-03-20 Pepe Alonso , Sergio Yovine , Victor A. Braberman

Inspired by dynamic programming, we propose Stochastic Virtual Gradient Descent (SVGD) algorithm where the Virtual Gradient is defined by computational graph and automatic differentiation. The method is computationally efficient and has…

Machine Learning · Computer Science 2019-08-01 Zheng Li , Shi Shu

It is common to reject undesired outputs of Large Language Models (LLMs); however, current methods to do so require an excessive amount of computation to re-sample after a rejection, or distort the distribution of outputs by constraining…

Computation and Language · Computer Science 2025-10-09 Daniel Melcer , Sujan Gonugondla , Pramuditha Perera , Haifeng Qian , Wen-Hao Chiang , Yanjun Wang , Nihal Jain , Pranav Garg , Xiaofei Ma , Anoop Deoras

We address the task of higher-order derivative evaluation of computer programs that contain QR decompositions and real symmetric eigenvalue decompositions. The approach is a combination of univariate Taylor polynomial arithmetic and matrix…

Numerical Analysis · Mathematics 2010-10-01 Sebastian F. Walter , Lutz Lehmann , René Lamour

We present a system for the automatic differentiation of a higher-order functional array-processing language. The core functional language underlying this system simultaneously supports both source-to-source automatic differentiation and…

Mathematical Software · Computer Science 2018-06-07 Amir Shaikhha , Andrew Fitzgibbon , Dimitrios Vytiniotis , Simon Peyton Jones , Christoph Koch

Algebraic Multigrid (AMG) methods are state-of-the-art algebraic solvers for partial differential equations. Still, their efficiency depends heavily on the choice of suitable parameters and/or ingredients. Paradigmatic examples include the…

Numerical Analysis · Mathematics 2026-01-01 Paola F. Antonietti , Matteo Caldana , Lorenzo Gentile , Marco Verani

Using backpropagation to compute gradients of objective functions for optimization has remained a mainstay of machine learning. Backpropagation, or reverse-mode differentiation, is a special case within the general family of automatic…

Machine Learning · Computer Science 2022-02-18 Atılım Güneş Baydin , Barak A. Pearlmutter , Don Syme , Frank Wood , Philip Torr

There are several AD tools available, which all implement different strategies for the reverse mode of AD. The major strategies are primal value taping (implemented e.g. by ADOL-c) and Jacobi taping (implemented e.g. by adept and dco/c++).…

Mathematical Software · Computer Science 2017-09-22 Max Sagebaum , Tim Albring , Nicolas R. Gauger

Cylindrical Algebraic Decomposition (CAD) is a key tool in computational algebraic geometry, best known as a procedure to enable Quantifier Elimination over real-closed fields. However, it has a worst case complexity doubly exponential in…

Symbolic Computation · Computer Science 2019-11-25 Zongyan Huang , Matthew England , David Wilson , James H. Davenport , Lawrence C. Paulson

Adaptive gradient methods including Adam, AdaGrad, and their variants have been very successful for training deep learning models, such as neural networks. Meanwhile, given the need for distributed computing, distributed optimization…

Machine Learning · Computer Science 2021-09-08 Xiangyi Chen , Belhal Karimi , Weijie Zhao , Ping Li

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

Anomaly detection (AD) is essential in areas such as fraud detection, network monitoring, and scientific research. However, the diversity of data modalities and the increasing number of specialized AD libraries pose challenges for…

Computation and Language · Computer Science 2025-05-20 Tiankai Yang , Junjun Liu , Wingchun Siu , Jiahang Wang , Zhuangzhuang Qian , Chanjuan Song , Cheng Cheng , Xiyang Hu , Yue Zhao

Differentiable programming has recently received much interest as a paradigm that facilitates taking gradients of computer programs. While the corresponding flexible gradient-based optimization approaches so far have been used predominantly…

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