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Data-driven discovery of "hidden physics" -- i.e., machine learning of differential equation models underlying observed data -- has recently been approached by embedding the discovery problem into a Gaussian Process regression of spatial…

Machine Learning · Computer Science 2019-08-05 Mamikon Gulian , Maziar Raissi , Paris Perdikaris , George Karniadakis

Numerical calculus algorithms which estimate derivatives and integrals from data series acquired either via measurements or by sampling functions are essential in scientific computing. To date, a few quantum algorithms have been developed…

Quantum Physics · Physics 2026-03-23 Jordan Cioni , Fabio Semperlotti

Variational quantum algorithms (VQAs) that estimate values of widely used physical quantities such as the rank, quantum entropies, the Bures fidelity and the quantum Fisher information of mixed quantum states are developed. In addition,…

Quantum Physics · Physics 2021-09-17 Kok Chuan Tan , Tyler Volkoff

Variational quantum algorithms are expected to demonstrate the advantage of quantum computing on near-term noisy quantum computers. However, training such variational quantum algorithms suffers from gradient vanishing as the size of the…

Quantum Physics · Physics 2021-11-29 Anbang Wu , Gushu Li , Yufei Ding , Yuan Xie

The logarithm-determinant is an widely-present operation in many areas of physics and computer science. Derivatives of the logarithm-determinant compute physically relevant quantities in statistical physics models, quantum field theories,…

Quantum Physics · Physics 2025-09-23 Thomas E. Baker , Jaimie A. Greasley

Variational Bayes (VB) inference algorithm is used widely to estimate both the parameters and the unobserved hidden variables in generative statistical models. The algorithm -- inspired by variational methods used in computational physics…

Machine Learning · Statistics 2023-07-27 Hideyuki Miyahara , Vwani Roychowdhury

We show that nonlinear problems including nonlinear partial differential equations can be efficiently solved by variational quantum computing. We achieve this by utilizing multiple copies of variational quantum states to treat…

Quantum Physics · Physics 2020-01-15 Michael Lubasch , Jaewoo Joo , Pierre Moinier , Martin Kiffner , Dieter Jaksch

A core capability of intelligent systems is the ability to quickly learn new tasks by drawing on prior experience. Gradient (or optimization) based meta-learning has recently emerged as an effective approach for few-shot learning. In this…

Machine Learning · Computer Science 2019-09-11 Aravind Rajeswaran , Chelsea Finn , Sham Kakade , Sergey Levine

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

In deep learning, it is common to use more network parameters than training points. In such scenarioof over-parameterization, there are usually multiple networks that achieve zero training error so that thetraining algorithm induces an…

Machine Learning · Computer Science 2023-08-22 Hung-Hsu Chou , Carsten Gieshoff , Johannes Maly , Holger Rauhut

Gradient-based optimization is a key ingredient of variational quantum algorithms, with applications ranging from quantum machine learning to quantum chemistry and simulation. The parameter-shift rule provides a hardware-friendly method for…

Quantum Physics · Physics 2025-10-08 Leonardo Banchi , Dominic Branford , Chetan Waghela

Quantum matter, the research field studying phases of matter whose properties are intrinsically quantum mechanical, draws from areas as diverse as hard condensed matter physics, materials science, statistical mechanics, quantum information,…

Computational Physics · Physics 2020-08-21 Juan Carrasquilla

In quantum computing, the variational quantum algorithms (VQAs) are well suited for finding optimal combinations of things in specific applications ranging from chemistry all the way to finance. The training of VQAs with gradient descent…

Quantum Physics · Physics 2022-04-06 Pinaki Sen , Amandeep Singh Bhatia , Kamalpreet Singh Bhangu , Ahmed Elbeltagi

For a large class of variational quantum circuits, we show how arbitrary-order derivatives can be analytically evaluated in terms of simple parameter-shift rules, i.e., by running the same circuit with different shifts of the parameters. As…

Quantum Physics · Physics 2021-03-03 Andrea Mari , Thomas R. Bromley , Nathan Killoran

Disorder in condensed matter and atomic physics is responsible for a great variety of fascinating quantum phenomena, which are still challenging for understanding, not to mention the relevant dynamical control. Here we introduce proof of…

Disordered Systems and Neural Networks · Physics 2022-03-01 Tang-You Huang , Yue Ban , E. Ya. Sherman , Xi Chen

Demonstrating quantum advantage has been a pressing challenge in the field. Most claimed quantum speedups rely on a subroutine in which classical information can be accessed in a coherent quantum manner, which imposes a crucial constraint…

Quantum Physics · Physics 2025-11-04 Nhat A. Nghiem

Differentiable programming is revolutionizing computational science by enabling automatic differentiation (AD) of numerical simulations. While first-order gradients are well-established, second-order derivatives (Hessians) for implicit…

Computational Engineering, Finance, and Science · Computer Science 2025-05-20 Tianju Xue

Stochastic gradient descent procedures have gained popularity for parameter estimation from large data sets. However, their statistical properties are not well understood, in theory. And in practice, avoiding numerical instability requires…

Methodology · Statistics 2016-09-29 Panos Toulis , Edoardo M. Airoldi

Optimization problems in disciplines such as machine learning are commonly solved with iterative methods. Gradient descent algorithms find local minima by moving along the direction of steepest descent while Newton's method takes into…

Quantum Physics · Physics 2018-08-20 Patrick Rebentrost , Maria Schuld , Leonard Wossnig , Francesco Petruccione , Seth Lloyd

With the significant advancement in quantum computation in the past couple of decades, the exploration of machine-learning subroutines using quantum strategies has become increasingly popular. Gaussian process regression is a widely used…

Quantum Physics · Physics 2018-03-07 Siddhartha Das , George Siopsis , Christian Weedbrook