相关论文: Warm starting the projected Gauss-Seidel algorithm…

We describe and demonstrate the potential of a new and very efficient method for simulating certain classes of modified gravity theories, such as the widely studied $f(R)$ gravity models. High resolution simulations for such models are…

In this paper, we propose a finite-volume scheme for aggregation-diffusion equations based on a Scharfetter--Gummel approximation of the quadratic, nonlocal flux term. This scheme is analyzed concerning well-posedness and convergence…

The importance of an adequate inner loop starting point (as opposed to a sufficient inner loop stopping rule) is discussed in the context of a numerical optimization algorithm consisting of nested primal-dual proximal-gradient iterations.…

Approximate combinatorial optimization is a promising use case for quantum computers. The quantum optimization algorithms often employ a fixed ansatz that evolves an unbiased initial state towards states with better values of the optimand,…

Warm dense matter (WDM) is an exotic state on the border between condensed matter and dense plasmas. Important occurrences of WDM include dense astrophysical objects, matter in the core of our Earth, as well as matter produced in strong…

Years ago Edwards proposed a thermodynamic description of dense granular matter, in which the grains (the `atoms' of the system) interact with inelastic forces. The approach is intriguing but is not justified from first principles, and…

We provide a scheme for efficient simulation of a broad class of quantum optics experiments. Our efficient simulation extends the continuous variable Gottesman-Knill theorem to a large class of non-Gaussian mixed states, thereby identifying…

The barren plateau phenomenon, characterized by loss gradients that vanish exponentially with system size, poses a challenge to scaling variational quantum algorithms. Here we explore the potential of warm starts, whereby one initializes…

In numerous applications data are observed at random times and an estimated graph of the spectral density may be relevant for characterizing and explaining phenomena. By using a wavelet analysis, one derives a nonparametric estimator of the…

We compute the quantum effective action induced by integrating out fermions in Yang-Mills matrix models on a 4-dimensional background, expanded in powers of a gauge-invariant UV cutoff. The resulting action is recast into the form of…

Preparing the ground states of a many-body system is essential for evaluating physical quantities and determining the properties of materials. This work provides a quantum ground state preparation scheme with shallow variational warm-start…

Biomolecular interaction modeling has been substantially advanced by foundation models, yet they often produce all-atom structures that violate basic steric feasibility. We address this limitation by enforcing physical validity as a strict…

Atomistic simulations provide insights into structure-property relations on an atomic size and length scale, that are complementary to the macroscopic observables that can be obtained from experiments. Quantitative predictions, however, are…

In this paper, we show that efficient separated sum-of-exponentials approximations can be constructed for the heat kernel in any dimension. In one space dimension, the heat kernel admits an approximation involving a number of terms that is…

We investigate the theoretical foundations of the simulated tempering method and use our findings to design efficient algorithms. Employing a large deviation argument first used for replica exchange molecular dynamics [Plattner et al., J.…

We discuss the use of the Discrete Element Method (DEM) to simulate the dynamics of granular systems made up of elements with nontrivial geometries. The DEM simulator is GPU accelerated and can handle elements whose shape is defined as the…

Gaussian Process (GP) models are often used as mathematical approximations of computationally expensive experiments. Provided that its kernel is suitably chosen and that enough data is available to obtain a reasonable fit of the simulator,…

Numerical simulation studies in 2D with the addition of noise are reported for the convection of a supercritical fluid,3He, in a Rayleigh-Be'nard cell where the fluid parameters and cell height L are the same as in published laboratory…

This article presents new algorithms for massively parallel granular dynamics simulations on distributed memory architectures using a domain partitioning approach. Collisions are modelled with hard contacts in order to hide their…

Scaling hyperparameter optimisation to very large datasets remains an open problem in the Gaussian process community. This paper focuses on iterative methods, which use linear system solvers, like conjugate gradients, alternating…