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Hamiltonian simulation is a promising application for quantum computers to achieve a quantum advantage. We present classical algorithms based on tensor network methods to optimize quantum circuits for this task. We show that, compared to…

Quantum Physics · Physics 2023-06-05 Conor Mc Keever , Michael Lubasch

An optimization based state and parameter estimation method is presented where the required Jacobian matrix of the cost function is computed via automatic differentiation. Automatic differentiation evaluates the programming code of the cost…

Chaotic Dynamics · Physics 2015-07-10 Jan Schumann-Bischoff , Stefan Luther , Ulrich Parlitz

Inference for doubly intractable distributions is challenging because the intractable normalizing functions of these models include parameters of interest. Previous auxiliary variable MCMC algorithms are infeasible for multi-dimensional…

Computation · Statistics 2020-08-07 Jaewoo Park

We present two analytical formulae for estimating the sensitivity -- namely, the gradient or Jacobian -- at given realizations of an arbitrary-dimensional random vector with respect to its distributional parameters. The first formula…

Machine Learning · Statistics 2025-08-14 Pi-Yueh Chuang , Ahmed Attia , Emil Constantinescu

Uncertainty quantification has become an efficient tool for uncertainty-aware prediction, but its power in yield-aware optimization has not been well explored from either theoretical or application perspectives. Yield optimization is a much…

Optimization and Control · Mathematics 2020-04-28 Chunfeng Cui , Kaikai Liu , Zheng Zhang

This paper concerns a first-order algorithmic technique for a class of optimal control problems defined on switched-mode hybrid systems. The salient feature of the algorithm is that it avoids the computation of Fr\'echet or G\^ateaux…

Optimization and Control · Mathematics 2016-09-13 Yorai Wardi , Magnus Egerstedt , Muhammad Umer Qureshi

The focus in this work is on interior-point methods for inequality-constrained quadratic programs, and particularly on the system of nonlinear equations to be solved for each value of the barrier parameter. Newton iterations give high…

Optimization and Control · Mathematics 2024-01-24 David Ek , Anders Forsgren

Bayesian approaches developed to solve the optimal design of sequential experiments are mathematically elegant but computationally challenging. Recently, techniques using amortization have been proposed to make these Bayesian approaches…

Machine Learning · Computer Science 2022-06-20 Tom Blau , Edwin V. Bonilla , Iadine Chades , Amir Dezfouli

In computer experiments, a mathematical model implemented on a computer is used to represent complex physical phenomena. These models, known as computer simulators, enable experimental study of a virtual representation of the complex…

Methodology · Statistics 2012-07-03 Hugh Chipman , Pritam Ranjan , Weiwei Wang

This work investigates a variant of the conjugate gradient (CG) method and embeds it into the context of high-order finite-element schemes with fast matrix-free operator evaluation and cheap preconditioners like the matrix diagonal. Relying…

Mathematical Software · Computer Science 2022-05-19 Martin Kronbichler , Dmytro Sashko , Peter Munch

Simulating the time evolution of a physical system at quantum mechanical levels of detail -- known as Hamiltonian Simulation (HS) -- is an important and interesting problem across physics and chemistry. For this task, algorithms that run on…

In modern generative-AI workloads, matrix-vector/matrix-matrix multiplications (\emph{MatMul}) dominate the compute and energy cost. Achieving dramatic reductions in energy per token therefore requires a novel, specialized hardware that is…

Other Condensed Matter · Physics 2026-03-11 Denis Mamaluy , Md Rahatul Islam Udoy , Juan P. Mendez , Ben Feinberg , Wei Pan , Ahmedullah Aziz

Non-conjugate Gaussian processes (NCGPs) define a flexible probabilistic framework to model categorical, ordinal and continuous data, and are widely used in practice. However, exact inference in NCGPs is prohibitively expensive for large…

Machine Learning · Computer Science 2025-04-18 Lukas Tatzel , Jonathan Wenger , Frank Schneider , Philipp Hennig

The increase in complexity of autonomous systems is accompanied by a need of data-driven development and validation strategies. Advances in computer graphics and cloud clusters have opened the way to massive parallel high fidelity…

Machine Learning · Computer Science 2023-01-05 Osama Maqbool , Jürgen Roßmann

A popular approach in combinatorial optimization is to model problems as integer linear programs. Ideally, the relaxed linear program would have only integer solutions, which happens for instance when the constraint matrix is totally…

Data Structures and Algorithms · Computer Science 2009-09-29 Christoph Durr , Mathilde Hurand

Exactly computing the full output distribution of linear optical circuits remains a challenge, as existing methods are either time-efficient but memory-intensive or memory-efficient but slow. Moreover, any realistic simulation must account…

Quantum Physics · Physics 2025-03-10 Timothée Goubault de Brugière , Nicolas Heurtel

This article aims to demonstrate and discuss the applications of automatic differentiation (AD) for finding derivatives in PDE-constrained optimization problems and Jacobians in non-linear finite element analysis. The main idea is to…

Numerical Analysis · Mathematics 2025-06-03 Julian Andrej , Tzanio Kolev , Boyan Lazarov

Quantum computing offers an alternative paradigm for addressing combinatorial optimization problems compared to classical computing. Despite recent hardware improvements, the execution of empirical quantum optimization experiments at scales…

This study investigates the efficacy of Jacobian-free Newton-Krylov methods in finite-volume solid mechanics. Traditional Newton-based approaches require explicit Jacobian matrix formation and storage, which can be computationally expensive…

Numerical Analysis · Mathematics 2026-01-22 Philip Cardiff , Dylan Armfield , Željko Tuković , Ivan Batistić

While transformer models have been highly successful, they are computationally inefficient. We observe that for each layer, the full width of the layer may be needed only for a small subset of tokens inside a batch and that the "effective"…

Machine Learning · Computer Science 2024-12-19 Bartosz Wójcik , Alessio Devoto , Karol Pustelnik , Pasquale Minervini , Simone Scardapane