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We present a quantum algorithm for the dynamical simulation of time-dependent Hamiltonians. Our method involves expanding the interaction-picture Hamiltonian as a sum of generalized permutations, which leads to an integral-free Dyson series…

Quantum Physics · Physics 2021-09-15 Yi-Hsiang Chen , Amir Kalev , Itay Hen

Gradient flow in the 2-Wasserstein space is widely used to optimize functionals over probability distributions and is typically implemented using an interacting particle system with $n$ particles. Analyzing these algorithms requires showing…

Machine Learning · Computer Science 2026-03-27 Chandan Tankala , Dheeraj M. Nagaraj , Anant Raj

Milestoning is a computational procedure that reduces the dynamics of complex systems to memoryless jumps between intermediates, or milestones, and only retains some information about the probability of these jumps and the time lags between…

Mathematical Physics · Physics 2017-03-14 Ling Lin , Jianfeng Lu , Eric Vanden-Eijnden

Simulation of many-particle system evolution by molecular dynamics takes to decrease integration step to provide numerical scheme stability on the sufficiently large time interval. It leads to a significant increase of the volume of…

Numerical Analysis · Mathematics 2016-05-19 Eduard G. Nikonov

We provide a quantum algorithm for simulating the dynamics of sparse Hamiltonians with complexity sublogarithmic in the inverse error, an exponential improvement over previous methods. Specifically, we show that a $d$-sparse Hamiltonian $H$…

Quantum Physics · Physics 2014-10-09 Dominic W. Berry , Andrew M. Childs , Richard Cleve , Robin Kothari , Rolando D. Somma

One of the open challenges in quantum computing is to find meaningful and practical methods to leverage quantum computation to accelerate classical machine learning workflows. A ubiquitous problem in machine learning workflows is sampling…

Quantum Physics · Physics 2024-08-08 Owen Lockwood , Peter Weiss , Filip Aronshtein , Guillaume Verdon

In this paper we consider convergence rate problems for stochastic strongly-convex optimization in the non-Euclidean sense with a constraint set over a time-varying multi-agent network. We propose two efficient non-Euclidean stochastic…

Optimization and Control · Mathematics 2018-08-23 Deming Yuan , Yiguang Hong , Daniel W. C. Ho , Guoping Jiang

The endeavor of stock trend forecasting is principally focused on predicting the future trajectory of the stock market, utilizing either manual or technical methodologies to optimize profitability. Recent advancements in machine learning…

Computational Engineering, Finance, and Science · Computer Science 2025-02-19 Mingjie Wang , Juanxi Tian , Mingze Zhang , Jianxiong Guo , Weijia Jia

We show that many classical optimization problems --- such as $(1\pm\epsilon)$-approximate maximum flow, shortest path, and transshipment --- can be computed in $\newcommand{\tmix}{{\tau_{\text{mix}}}}\tmix(G)\cdot n^{o(1)}$ rounds of…

Data Structures and Algorithms · Computer Science 2018-05-29 Mohsen Ghaffari , Jason Li

Shape optimization with constraints given by partial differential equations (PDE) is a highly developed field of optimization theory. The elegant adjoint formalism allows to compute shape gradients at the computational cost of a further PDE…

Optimization and Control · Mathematics 2023-03-03 Matthias Bolten , Onur Tanil Doganay , Hanno Gottschalk , Kathrin Klamroth

Building on recent advances in quantum algorithms which measure and reuse qubits and in efficient classical simulation leveraging projective measurements, we extend these frameworks to real-time dynamics of quantum many-body systems…

Quantum Physics · Physics 2025-12-08 Bo Xiao , Benedikt Kloss , E. Miles Stoudenmire

We significantly enhance the simulation accuracy of initial Trotter circuits for Hamiltonian simulation of quantum systems by integrating first-order Riemannian optimization with tensor network methods. Unlike previous approaches, our…

Quantum Physics · Physics 2025-12-30 Isabel Nha Minh Le , Shuo Sun , Christian B. Mendl

The computation of the distance of two time series is time-consuming for any elastic distance function that accounts for misalignments. Among those functions, DTW is the most prominent. However, a recent extensive evaluation has shown that…

Data Structures and Algorithms · Computer Science 2023-04-21 Jana Holznigenkemper , Christian Komusiewicz , Bernhard Seeger

Hamiltonian Monte Carlo (HMC) sampling methods provide a mechanism for defining distant proposals with high acceptance probabilities in a Metropolis-Hastings framework, enabling more efficient exploration of the state space than standard…

Methodology · Statistics 2014-05-13 Tianqi Chen , Emily B. Fox , Carlos Guestrin

We propose a trajectory-based quasiclassical method for approximating dynamics in condensed phase systems. Building upon the previously developed Optimized Mean Trajectory (OMT) approximation that has been used to compute linear and…

Chemical Physics · Physics 2024-08-23 Kritanjan Polley

We present an application of our new theoretical formulation of quantum dynamics, moment propagation theory (MPT) (Boyer et al., J. Chem. Phys. 160, 064113 (2024)), for employing machine-learning techniques to simulate the quantum dynamics…

Chemical Physics · Physics 2024-12-09 Nicholas J. Boyer , Christopher Shepard , Ruiyi Zhou , Jianhang Xu , Yosuke Kanai

Gradient descent with momentum has been widely applied in various signal processing and machine learning tasks, demonstrating a notable empirical advantage over standard gradient descent. However, momentum-based distributed Riemannian…

Optimization and Control · Mathematics 2026-02-17 Jun Chen , Tianyi Zhu , Haishan Ye , Lina Liu , Guang Dai , Yong Liu , Yunliang Jiang , Ivor W. Tsang

We study the performance scaling of three quantum algorithms for combinatorial optimization: measurement-feedback coherent Ising machines (MFB-CIM), discrete adiabatic quantum computation (DAQC), and the D\"urr-Hoyer algorithm for quantum…

In MCMC methods, such as the Metropolis-Hastings (MH) algorithm, the Gibbs sampler, or recent adaptive methods, many different strategies can be proposed, often associated in practice to unknown rates of convergence. In this paper we…

Statistics Theory · Mathematics 2007-06-13 Didier Chauveau , Pierre Vandekerkhove

This paper focuses on minimizing a smooth function combined with a nonsmooth regularization term on a compact Riemannian submanifold embedded in the Euclidean space under a decentralized setting. Typically, there are two types of approaches…

Optimization and Control · Mathematics 2025-07-16 Lei Wang , Le Bao , Xin Liu