Related papers: Generalized Suzuki-Chin Factorization in Bosonic P…
Magnetization dynamics in magnetic materials is often modeled by the Landau-Lifshitz equation, which is solved numerically in general. In micromagnetic simulations, the computational cost relies heavily on the time-marching scheme and the…
A modification of the generalized shift-splitting (GSS) method is presented for solving singular saddle point problems. In this kind of modification, the diagonal shift matrix is replaced by a block diagonal matrix which is symmetric…
In this work, we generalize the Balasubramanian-Bax-Franklin-Glynn (BB/FG) permanent formula to account for row multiplicities during the permanent evaluation and reduce the complexity of permanent evaluation in scenarios where such…
We propose a novel strategy for the perturbative resummation of transverse momentum-dependent (TMD) observables, using the $q_T$ spectra of gauge bosons ($\gamma^*$, Higgs) in $pp$ collisions in the regime of low (but perturbative)…
Recent work has deployed linear combinations of unitaries techniques to reduce the cost of fault-tolerant quantum simulations of correlated electron models. Here, we show that one can sometimes improve upon those results with optimized…
We propose a new fast method to match factorization theorems applicable in different kinematical regions, such as the transverse-momentum-dependent and the collinear factorization theorems in Quantum Chromodynamics. At variance with…
We introduce a GPU-accelerated multigrid Gaussian-Plane-Wave density fitting (FFTDF) approach for efficient Fock builds and nuclear gradient evaluations within Kohn-Sham density functional theory, as implemented in the GPU4PySCF module of…
A resonance and an antiresonance peak characterize many industrial mechanisms dynamics driven by a Permanent Magnet Synchronous Motor (PMSM). The presence of the resonance peak can lead to vibrations and instability of the system. On that…
The graph Fourier transform (GFT) is an important tool for graph signal processing, with applications ranging from graph-based image processing to spectral clustering. However, unlike the discrete Fourier transform, the GFT typically does…
The Canonical Polyadic (CP) tensor decomposition is a well-known method for interpretable analysis of high-dimensional data. Recently, the Generalized CP method (GCP) was introduced by Hong and Kolda to allow for flexible choice of the loss…
This study employed an artificial intelligence-enhanced molecular simulation framework to enable efficient Path Integral Molecular Dynamics (PIMD) simulations. Owing to its modular architecture and high-throughput capabilities, the…
The graph Fourier transform (GFT) is a fundamental tool in graph signal processing and has recently been extended to the graph fractional Fourier transform (GFRFT). Existing sampling methods in the GFRFT domain are primarily designed to…
Boltzmann Generators have emerged as a promising machine learning tool for generating samples from equilibrium distributions of molecular systems using Normalizing Flows and importance weighting. Recently, Flow Matching has helped speed up…
Supervised matrix factorization (SMF) is a classical machine learning method that simultaneously seeks feature extraction and classification tasks, which are not necessarily a priori aligned objectives. Our goal is to use SMF to learn…
Compressed Estimation approaches, such as the Generalised Compressed Kalman Filter (GCKF), reduce the computational cost and complexity of high dimensional and high frequency data assimilation problems; usually without sacrificing…
Suzuki-Trotter decompositions of exponential operators like $\exp(Ht)$ are required in almost every branch of numerical physics. Often the exponent under consideration has to be split into more than two operators, for instance as local…
The fluctuation-dissipation theorem (FDT) is very general and applies to a broad variety of different physical phenomena in condensed matter physics. With the help of the FDT and following the famous work of Caldeira and Leggett, we show…
Non-negative matrix factorization (NMF) is one of the most popular decomposition techniques for multivariate data. NMF is a core method for many machine-learning related computational problems, such as data compression, feature extraction,…
This article introduces a nonlinear generalized matrix factor model (GMFM) that allows for mixed-type variables, extending the scope of linear matrix factor models (LMFM) that are so far limited to handling continuous variables. We…
The exact formulation of the path integral centroid dynamics is extended to include composites of the position and momentum operators. We present the generalized centroid dynamics (GCD), which provides a basis to calculate Kubo-transformed…