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Dimensionality reduction techniques are widely used for visualizing high-dimensional data in two dimensions. Existing methods are typically designed to preserve either local (e.g., $t$-SNE, UMAP) or global (e.g., MDS, PCA) structure of the…

Machine Learning · Computer Science 2026-02-02 Noël Kury , Dmitry Kobak , Sebastian Damrich

We propose a reduced-order modeling approach for nonlinear, parameter-dependent ordinary differential equations (ODE). Dimensionality reduction is achieved using nonlinear maps represented by autoencoders. The resulting low-dimensional ODE…

Numerical Analysis · Mathematics 2026-04-16 Enrico Ballini , Marco Gambarini , Alessio Fumagalli , Luca Formaggia , Anna Scotti , Paolo Zunino

We present the reduced basis method as a tool for developing emulators for equations with tunable parameters within the context of the nuclear many-body problem. The method uses a basis expansion informed by a set of solutions for a few…

Nuclear Theory · Physics 2022-11-30 Edgard Bonilla , Pablo Giuliani , Kyle Godbey , Dean Lee

When solving the first-order form of the linear Boltzmann equation, a common misconception is that the matrix-free computational method of ``sweeping the mesh", used in conjunction with the Discrete Ordinates method, is too complex or does…

Computational Physics · Physics 2020-04-07 Jan I C Vermaak , Jean C Ragusa , Jim E Morel

Optimal dimensionality reduction methods are proposed for the Bayesian inference of a Gaussian linear model with additive noise in presence of overabundant data. Three different optimal projections of the observations are proposed based on…

Statistics Theory · Mathematics 2018-02-13 Loïc Giraldi , Olivier P. Le Maître , Ibrahim Hoteit , Omar M. Knio

Including quantum mechanical effects on the dynamics of nuclei in the condensed phase is challenging, because the complexity of exact methods grows exponentially with the number of quantum degrees of freedom. Efforts to circumvent these…

Chemical Physics · Physics 2015-06-23 Mariana Rossi , Hanchao Liu , Francesco Paesani , Joel Bowman , Michele Ceriotti

This paper considers an optimization problem for a dynamical system whose evolution depends on a collection of binary decision variables. We develop scalable approximation algorithms with provable suboptimality bounds to provide…

Optimization and Control · Mathematics 2016-10-31 Insoon Yang , Samuel A. Burden , Ram Rajagopal , S. Shankar Sastry , Claire J. Tomlin

Direct Statistical Simulation (DSS) solves the equations of motion for the statistics of turbulent flows in place of the traditional route of accumulating statistics by Direct Numerical Simulation (DNS). That low-order statistics usually…

Fluid Dynamics · Physics 2020-07-15 Altan Allawala , S. M. Tobias , J. B. Marston

Global spectral methods offer the potential to compute solutions of partial differential equations numerically to very high accuracy. In this work, we develop a novel global spectral method for linear partial differential equations on cubes…

Numerical Analysis · Mathematics 2022-10-25 Christoph Strössner , Daniel Kressner

In this paper, we consider the alignment between an upstream dimensionality reduction task of learning a low-dimensional representation of a set of high-dimensional data and a downstream optimization task of solving a stochastic program…

Machine Learning · Computer Science 2024-03-13 Long He , Ho-Yin Mak

We derive novel algorithms for optimization problems constrained by partial differential equations describing multiscale particle dynamics, including non-local integral terms representing interactions between particles. In particular, we…

Numerical Analysis · Mathematics 2021-09-09 Mildred Aduamoah , Benjamin D. Goddard , John W. Pearson , Jonna C. Roden

The paper studies numerical methods that preserve a Lyapunov function of a dynamical system, i.e. numerical approximations whose energy decreases, just like in the original differential equation. With this aim, a discrete gradient method is…

Numerical Analysis · Mathematics 2022-04-26 Yadira Hernández-Solano , Miguel Atencia

Learning an individualized dose rule in personalized medicine is a challenging statistical problem. Existing methods often suffer from the curse of dimensionality, especially when the decision function is estimated nonparametrically. To…

Methodology · Statistics 2021-10-22 Wenzhuo Zhou , Ruoqing Zhu , Donglin Zeng

The complex scaling method (CSM) provides with a way to obtain resonance parameters of particle unstable states by rotating the coordinates and momenta of the original Hamiltonian. It is convenient to use an L$^2$ integrable basis to…

Nuclear Theory · Physics 2016-11-21 G. Papadimitriou

Partial Differential Equations (PDE) are fundamental to model different phenomena in science and engineering mathematically. Solving them is a crucial step towards a precise knowledge of the behaviour of natural and engineered systems. In…

In this paper, we consider the problem of non-linear dimensionality reduction under uncertainty, both from a theoretical and algorithmic perspectives. Since real-world data usually contain measurements with uncertainties and artifacts, the…

Machine Learning · Computer Science 2022-02-11 Firas Laakom , Jenni Raitoharju , Nikolaos Passalis , Alexandros Iosifidis , Moncef Gabbouj

A method is devised for numerically solving a class of finite-horizon optimal control problems subject to cascade linear discrete-time dynamics. It is assumed that the linear state and input inequality constraints, and the quadratic measure…

Optimization and Control · Mathematics 2017-10-13 Michael Cantoni , Farhad Farokhi , Eric C. Kerrigan , Iman Shames

Lie group methods are applied to the time-dependent, monoenergetic neutron diffusion equation in materials with spatial and time dependence. To accomplish this objective, the underlying 2nd order partial differential equation (PDE) is…

Analysis of PDEs · Mathematics 2019-03-21 Jesse F. Giron , Scott D. Ramsey , Brian A. Temple

Global sensitivity analysis is employed to evaluate the effective dimension reduction achieved through Chebyshev interpolation and the conditional pathwise method for Greek estimation of discretely monitored barrier options and arithmetic…

Computational Finance · Quantitative Finance 2025-04-18 Luca Albieri , Sergei Kucherenko , Stefano Scoleri , Marco Bianchetti

A new concept of the molecular structure optimization method based on quantum dynamics computations is presented. Nuclei are treated as quantum mechanical particles, as are electrons, and the many-body wave function of the system is…

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