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Quantum Krylov subspace methods can extract ground and excited states by diagonalizing the Hamiltonian in a compact variational space. In practice, these spaces are almost always generated by real or imaginary time evolution, forcing a…
Algorithmic differentiation (AD) tools allow to obtain gradient information of a continuously differentiable objective function in a computationally cheap way using the so-called backward mode. It is common practice to use the same tools…
Automatic differentiation (AD) is conventionally understood as a family of distinct algorithms, rooted in two "modes" -- forward and reverse -- which are typically presented (and implemented) separately. Can there be only one? Following up…
Recent research in nonlinear filtering and signal processing has suggested an efficient derivative-free Extended Kalman filter (EKF) designed for discrete-time stochastic systems. Such approach, however, has failed to address the estimation…
Oscillatory second order linear ordinary differential equations arise in many scientific calculations. Because the running times of standard solvers increase linearly with frequency when they are applied to such problems, a variety of…
Nonnegative matrix factorization (NMF), which is the approximation of a data matrix as the product of two nonnegative matrices, is a key issue in machine learning and data analysis. One approach to NMF is to formulate the problem as a…
A new method for implementing the kinetic energy operator for real-space, grid-based electronic structure codes is developed. It is based on multi-order Adaptive Finite Differencing (AFD) and uses atomic pseudo orbitals produced by the…
Non-hydrostatic atmospheric models often use semi-implicit temporal discretisations in order to negate the time step limitation of explicitly resolving the fast acoustic and gravity waves. Solving the resulting system to machine precision…
Differentiation along algorithms, i.e., piggyback propagation of derivatives, is now routinely used to differentiate iterative solvers in differentiable programming. Asymptotics is well understood for many smooth problems but the…
Second-order optimization methods, such as cubic regularized Newton methods, are known for their rapid convergence rates; nevertheless, they become impractical in high-dimensional problems due to their substantial memory requirements and…
Motivated by recent applications of the Lyapunov's method in artificial neural networks, which could be considered as dynamical systems for which the convergence of the system trajectories to equilibrium states is a necessity. We re-look at…
Quantum Krylov subspace diagonalization (QKSD) is an emerging method used in place of quantum phase estimation in the early fault-tolerant era, where limited quantum circuit depth is available. In contrast to the classical Krylov subspace…
This paper introduces a no-arbitrage, Monte Carlo-free approach to pricing path-dependent interest rate derivatives. The Heath-Jarrow-Morton model gives arbitrage-free contingent claims prices but is infinite-dimensional, making traditional…
In this work, solvers and preconditioners based on Gauss-Seidel and Jacobi algorithms are explored for stochastic Galerkin discretization of partial differential equations (PDEs) with random input data. Gauss-Seidel and Jacobi algorithms…
Based on the recent development of Jacobian-free Lax-Wendroff (LW) approaches for solving hyperbolic conservation laws [Zorio, Baeza and Mulet, Journal of Scientific Computing 71:246-273, 2017], [Carrillo and Par\'es, Journal of Scientific…
We propose a new numerical method to solve linear ordinary differential equations of the type $\frac{\partial u}{\partial t}(t,\varepsilon) = A(\varepsilon) \, u(t,\varepsilon)$, where $A:\mathbb{C}\rightarrow\mathbb{C}^{n\times n}$ is a…
We provide a novel accelerated first-order method that achieves the asymptotically optimal convergence rate for smooth functions in the first-order oracle model. To this day, Nesterov's Accelerated Gradient Descent (AGD) and variations…
We compare variants of Anderson Mixing with the Jacobian-Free Newton-Krylov and Broyden methods applied to an instance of the k-eigenvalue formulation of the linear Boltzmann transport equation. We present evidence that one variant of…
Magnetotelluric (MT) forward modeling is fundamental for improving the accuracy and efficiency of MT inversion. Neural operators (NOs) have been effectively used for rapid MT forward modeling, demonstrating their promising performance in…
We analyze backward step control globalization for finding zeros of G\^ateaux-differentiable functions that map from a Banach space to a Hilbert space. The results include global convergence to a distinctive solution characterized by…