Related papers: Stochastic perturbation theory to correct non-line…
We present a simple and intuitive approximation for solving perturbation theory (PT) of small cosmic fluctuations. We consider only the spherically symmetric or monopole contribution to the PT integrals, which yields the exact result for…
The standard perturbation theory (SPT) approach to gravitational clustering is based on a fluid approximation of the underlying Vlasov-Poisson dynamics, taking only the zeroth and first cumulant of the phase-space distribution function into…
Classical optimization is a cornerstone of the success of variational quantum algorithms, which often require determining the derivatives of the cost function relative to variational parameters. The computation of the cost function and its…
In this paper, we design fixed-parameter tractable (FPT) algorithms for (non-monotone) submodular maximization subject to a matroid constraint, where the matroid rank $r$ is treated as a fixed parameter that is independent of the total…
We extend our low-scaling variational Monte Carlo (VMC) algorithm to optimize the symmetry projected Jastrow mean field (SJMF) wavefunctions. These wavefunctions consist of a symmetry-projected product of a Jastrow and a general…
We introduce a tempering approach with stochastic density functional theory (sDFT), labeled t-sDFT, which reduces the statistical errors in the estimates of observable expectation values. This is achieved by rewriting the electronic density…
This paper studies whether numerically preserving monotonic properties can offer modelling advantages in data assimilation, particularly when the signal or data is a realization of a stochastic partial differential equation (SPDE) or…
Obtaining accurate solutions to the Schr\"odinger equation is the key challenge in computational quantum chemistry. Deep-learning-based Variational Monte Carlo (DL-VMC) has recently outperformed conventional approaches in terms of accuracy,…
We present a modification to variational Monte Carlo's linear method optimization scheme that addresses a critical memory bottleneck while maintaining compatibility with both the traditional ground state variational principle and our…
The cluster perturbation theory (CPT) is one of the simplest but systematic quantum cluster approaches to lattice models of strongly correlated electrons with local interactions. By treating the inter-cluster potential, in addition to the…
Nonlinear signal distortions are one of the primary factors limiting the capacity and reach of optical transmission systems. Currently, several approaches exist for compensating nonlinear distortions, but for practical implementation,…
Since the first detection of gravitational waves by the LIGO/VIRGO team, the related research field has attracted more attention. The spinning compact binaries system, as one of the gravitational-wave sources for broadband laser…
Highly flexible Jastrow factors have found significant use in stochastic electronic structure methods such as variational Monte Carlo (VMC) and diffusion Monte Carlo, as well as in quantum chemical transcorrelated (TC) approaches, which…
This paper studies randomized approximation algorithm for a variant of the set cover problem called minimum submodular cost partial multi-cover (SCPMC), in which each element $e$ has a covering requirement $r_e$ and a profit $p_e$, and the…
We look at a stochastic time-varying optimization problem and we formulate online algorithms to find and track its optimizers in expectation. The algorithms are derived from the intuition that standard prediction and correction steps can be…
Stochastic gradient methods for machine learning and optimization problems are usually analyzed assuming data points are sampled \emph{with} replacement. In practice, however, sampling \emph{without} replacement is very common, easier to…
Popular parameter-efficient fine-tuning (PEFT) methods, such as LoRA and its variants, freeze pre-trained model weights \(W\) and inject learnable matrices \(\Delta W\). These \(\Delta W\) matrices are structured for efficient…
We present a measurement-cost efficient implementation of Strongly-Contracted $N$-Electron Valence Perturbation Theory (SC-NEVPT2) for use on near-term quantum devices. At the heart of our algorithm we exploit the properties of adaptive…
Optimizing highly complex cost/energy functions over discrete variables is at the heart of many open problems across different scientific disciplines and industries. A major obstacle is the emergence of many-body effects among certain…
Simulation Based Calibration (SBC) is applied to analyse two commonly used, competing Markov chain Monte Carlo algorithms for estimating the posterior distribution of a stochastic volatility model. In particular, the bespoke 'off-set…