Related papers: Thick-Restart Block Lanczos Method for Large-Scale…
In this paper an extension of the spectral Lanczos' tau method to systems of nonlinear integro-differential equations is proposed. This extension includes (i) linearization coefficients of orthogonal polynomials products issued from…
Radiative strength functions (RSFs) model the bulk electromagnetic response of highly-excited nuclei and are critical inputs for statistical reaction codes. In this paper, we present a definition of the RSF that is consistent with…
The efficiency of large language models (LLMs) is fundamentally limited by their sequential, token-by-token generation process. We argue that overcoming this bottleneck requires a new design axis for LLM scaling: increasing the semantic…
For solving large consistent linear systems by iteration methods, inspired by the maximum residual Kaczmarz method and the randomized block Kaczmarz method, we propose the maximum residual block Kaczmarz method, which is designed to…
The history of research on eigenvalue problems is rich with many outstanding contributions. Nonetheless, the rapidly increasing size of data sets requires new algorithms for old problems in the context of extremely large matrix dimensions.…
We present several generative and predictive algorithms based on the RKHS (reproducing kernel Hilbert spaces) methodology, which, most importantly, are scale up efficiently with large datasets or high-dimensional data. It is well recognized…
The high-order gas-kinetic scheme (HGKS) features good robustness, high efficiency and satisfactory accuracy,the performaence of which can be further improved combined with WENO-AO (WENO with adaptive order) scheme for reconstruction. To…
We present a $G_0W_0$ implementation that assesses the two major bottlenecks of traditional plane-waves implementations, the summations over conduction states and the inversion of the dielectric matrix, without introducing new…
One method of representing a high-rank tensor as a (hyper-)product of lower-rank tensors is the tensor hypercontraction (THC) method of Hohenstein et al. This strategy has been found to be useful for reducing the polynomial scaling of…
We report on a novel ab initio approach for nuclear few- and many-body systems with strangeness. Recently, we developed a relevant no-core shell model technique which we successfully applied in first calculations of lightest $\Lambda$…
We demonstrate a new method that yields orders-of-magnitude acceleration in inverse design (e.g. topology optimization) of high-$Q$ resonant cavities to maximize the local density of states (LDOS), and which is also applicable to other…
We reformulate the Lanczos tau method for the discretization of time-delay systems in terms of a pencil of operators, allowing for new insights into this approach. As a first main result, we show that, for the choice of a shifted Legendre…
We develop a numerical method for solving a free boundary problem which describes shape relaxation, by surface tension, of a long and thin bubble of an inviscid fluid trapped inside a viscous fluid in a Hele-Shaw cell. The method of…
We present a near-linear scaling formulation of the explicitly-correlated coupled-cluster singles and doubles with perturbative triples method (CCSD(T)$_{\overline{\text{F12}}}$) for high-spin states of open-shell species. The approach is…
In Density Functional Theory simulations based on the LAPW method, each self-consistent field cycle comprises dozens of large dense generalized eigenproblems. In contrast to real-space methods, eigenpairs solving for problems at distinct…
We consider an autocorrelation function of a quantum mechanical system through the lens of the so-called recursive method, by iteratively evaluating Lanczos coefficients, or solving a system of coupled differential equations in the Mori…
Block Krylov subspace methods (KSMs) comprise building blocks in many state-of-the-art solvers for large-scale matrix equations as they arise, e.g., from the discretization of partial differential equations. While extended and rational…
We present novel Monte Carlo methods for treating the interacting shell model that allow exact calculations much larger than those heretofore possible. The two-body interaction is linearized by an auxiliary field; Monte Carlo evaluation of…
Global and block Krylov subspace methods are efficient iterative solvers for large sparse linear systems with multiple right-hand sides. However, global or block Lanczos-type solvers often exhibit large oscillations in the residual norms…
We present an efficient separable approach to the estimation and reconstruction of the bispectrum and the trispectrum from observational (or simulated) large scale structure data. This is developed from general CMB (poly-)spectra methods…