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The increasingly common applications of machine-learning schemes to atomic-scale simulations have triggered efforts to better understand the mathematical properties of the mapping between the Cartesian coordinates of the atoms and the…

Chemical Physics · Physics 2021-09-24 Sergey N. Pozdnyakov , Liwei Zhang , Christoph Ortner , Gábor Csányi , Michele Ceriotti

We study ill-conditioned positive definite matrices that are disturbed by the sum of $m$ rank-one matrices of a specific form. We provide estimates for the eigenvalues and eigenvectors. When the condition number of the initial matrix tends…

Numerical Analysis · Mathematics 2024-03-13 Armand Gissler , Anne Auger , Nikolaus Hansen

We consider the uniform approximation of the smallest eigenvalue of a large parameter-dependent Hermitian matrix by that of a smaller counterpart obtained through projections. The projection subspaces are constructed iteratively by means of…

Numerical Analysis · Mathematics 2026-01-16 Mattia Manucci , Emre Mengi , Nicola Guglielmi

For Deep Neural Networks (DNNs) to become useful in safety-critical applications, such as self-driving cars and disease diagnosis, they must be stable to perturbations in input and model parameters. Characterizing the sensitivity of a DNN…

Machine Learning · Computer Science 2023-07-25 Naman Maheshwari , Nicholas Malaya , Scott Moe , Jaydeep P. Kulkarni , Sudhanva Gurumurthi

In this paper, the discontinuous Petrov--Galerkin approximation of the Laplace eigenvalue problem is discussed. We consider in particular the primal and ultra weak formulations of the problem and prove the convergence together with a priori…

Numerical Analysis · Mathematics 2020-12-15 Fleurianne Bertrand , Daniele Boffi , Henrik Schneider

While known algorithms for sensitivity analysis and parameter tuning in probabilistic networks have a running time that is exponential in the size of the network, the exact computational complexity of these problems has not been established…

Artificial Intelligence · Computer Science 2012-06-18 Johan Kwisthout , Linda C. van der Gaag

In this article we recover the distribution function (and possible density) of an arbitrary random variable that is subject to an additive measurement error. This problem is also known as deconvolution and has a long tradition in…

Statistics Theory · Mathematics 2025-10-07 Henrik Kaiser

Computing more than one eigenvalue for (large sparse) one-parameter polynomial and general nonlinear eigenproblems, as well as for multiparameter linear and nonlinear eigenproblems, is a much harder task than for standard eigenvalue…

Numerical Analysis · Mathematics 2021-10-19 Michiel E. Hochstenbach , Bor Plestenjak

The first step when solving an infinite-dimensional eigenvalue problem is often to discretize it. We show that one must be extremely careful when discretizing nonlinear eigenvalue problems. Using examples, we show that discretization can:…

Numerical Analysis · Mathematics 2023-05-04 Matthew J. Colbrook , Alex Townsend

This paper studies the robustness of observability of a linear time-invariant system under sensor failures from a computational perspective. To be precise, the problem of determining the minimum number of sensors whose removal can destroy…

Optimization and Control · Mathematics 2023-07-18 Yuan Zhang , Yuanqing Xia , Kun Liu

Density matrix perturbation theory based on recursive Fermi-operator expansions provides a computationally efficient framework for time-independent response calculations in quantum chemistry and materials science. From a perturbation in the…

Quantum Physics · Physics 2024-09-26 Anders M. N. Niklasson , Adela Habib , Joshua Finkelstein , Emanuel H. Rubensson

Engineered systems naturally experience large disturbances that can disrupt desired operation because the system may fail to recover to a stable equilibrium point. It is valuable to determine the mechanism of instability when the system is…

Systems and Control · Electrical Eng. & Systems 2025-03-18 Jinghan Wang , Michael W. Fisher

We introduce a unified sensitivity concept for shape and topological perturbations and perform the sensitivity analysis for a discretized PDE-constrained design optimization problem in two space dimensions. We assume that the design is…

Optimization and Control · Mathematics 2026-04-01 Peter Gangl , Michael H. Gfrerer

Evaluation of the eigenvectors of symmetric tridiagonal matrices is one of the most basic tasks in numerical linear algebra. It is a widely known fact that, in the case of well separated eigenvalues, the eigenvectors can be evaluated with…

Numerical Analysis · Mathematics 2014-08-27 Andrei Osipov

Several key questions remain unanswered regarding overparameterized learning models. It is unclear how (stochastic) gradient descent finds solutions that generalize well, and in particular the role of small random initializations. Matrix…

Machine Learning · Computer Science 2025-08-25 Johan S. Wind

The dimensions of sets of matrices of various types, with specified eigenvalue multiplicities, are determined. The dimensions of the sets of matrices with given Jordan form and with given singular value multiplicities are also found. Each…

Numerical Analysis · Mathematics 2007-11-27 Joseph B. Keller

Quantum computation of vibrational properties of molecules is a promising platform to obtain computational advantages for computational chemistry. However, fault-tolerant quantum computations of vibrational properties remain a relatively…

We consider a square random matrix of size N of the form A + Y where A is deterministic and Y has iid entries with variance 1/N. Under mild assumptions, as N grows, the empirical distribution of the eigenvalues of A+Y converges weakly to a…

Probability · Mathematics 2014-11-04 Charles Bordenave , Mireille Capitaine

For compact self-adjoint operators in Hilbert spaces, two algorithms are proposed to provide fully computable a posteriori error estimate for eigenfunction approximation. Both algorithms apply well to the case of tight clusters and multiple…

Numerical Analysis · Mathematics 2022-07-19 Xuefeng Liu , Tomáš Vejchodský

Fractures are normally present in the underground and are, for some physical processes, of paramount importance. Their accurate description is fundamental to obtain reliable numerical outcomes useful, e.g., for energy management. Depending…

Numerical Analysis · Mathematics 2021-03-03 Alessio Fumagalli , Francesco Saverio Patacchini
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