Related papers: Ground-State Probabilistic Logic with the Simplest…
A bang-bang (BB) algorithm prepares the ground state of a two-dimensional (2D) quantum many-body Hamiltonian $H=H_1+H_2$ by evolving an initial product state alternating between $H_1$ and $H_2$. We use the neighborhood tensor update to…
Probabilistic programming languages (PPLs) are receiving widespread attention for performing Bayesian inference in complex generative models. However, applications to science remain limited because of the impracticability of rewriting…
A numerical method using implicit surface representations is proposed to solve the linearized Poisson-Boltzmann equations that arise in mathematical models for the electrostatics of molecules in solvent. The proposed method used an implicit…
This paper presents a unified and computationally efficient framework for predicting incompressible, irrotational (potential) flow around multiple immersed bodies in two-dimensional domains, with particular emphasis on quantifying…
A one-dimensional harmonic oscillator in a box is used to introduce the oblique-basis concept. The method is extended to the nuclear shell model by combining traditional spherical states, which yield a diagonal representation of the usual…
We investigate the phase structure of the random-field Ising model with a bimodal random field distribution. Our aim is to test for the possibility of an equilibrium spin-glass phase, and for replica symmetry breaking (RSB) within such a…
Molecular dynamics simulations of biomolecules have been widely adopted in biomedical studies. As classical point-charge models continue to be used in routine biomolecular applications, there have been growing demands on developing…
Multi-cell cooperation is a promising approach for mitigating inter-cell interference in dense cellular networks. Quantifying the performance of multi-cell cooperation is challenging as it integrates physical-layer techniques and network…
I introduce PEDAL -- a probabilistic epistemic logic meant to capture, in propositional dynamic terms, the epistemic state of an agent engaged in checking whether a program meets its specification. Semantically, PEDAL is built `on top of'…
In this work, we propose a multi-scale protocol for routine theoretical studies of chemical reaction mechanisms. The initial reaction paths of our investigated systems are sampled using the Nudged-Elastic Band (NEB) method driven by a cheap…
We design and develop a new Particle-in-Cell (PIC) method for plasma simulations using Deep-Learning (DL) to calculate the electric field from the electron phase space. We train a Multilayer Perceptron (MLP) and a Convolutional Neural…
An extension of the Ising model is proposed as a viable alternative for data with values $-1$, $0$ and $+1$ in the inverse problem, i.e., estimation of the parameters. This model is called the Blume-Capel (BC) model, adapted from physics…
We introduce Gutzwiller conjugate gradient minimization (GCGM) theory, an ab initio quantum many-body theory for computing the ground-state properties of infinite systems. GCGM uses the Gutzwiller wave function but does not use the commonly…
Probabilistic independence is a useful concept for describing the result of random sampling---a basic operation in all probabilistic languages---and for reasoning about groups of random variables. Nevertheless, existing verification methods…
Projected Entangled Pair States (PEPS) are recognized as a potent tool for exploring two-dimensional quantum many-body systems. However, a significant challenge emerges when applying conventional PEPS methodologies to systems with periodic…
A model of multicellular systems with several types of cells is developed from the phase field model. The model is presented as a set of partial differential equations of the field variables, each of which expresses the shape of one cell.…
Validity of fluid models breaks down for non-thermal or weakly collisional plasmas which often occur e.g. in the solar wind. In these regimes one has to resort to modelling through the first-principle Vlasov-Maxwell system, but its…
Bilevel optimization problems can be used to represent the collaborative interaction between a power system and grid-connected entities, called the followers, such as data centers. Most existing approaches assume that such followers'…
We present Bell-type tests of nonclassicality and non-Gaussianity for single-mode fields employing a generalized quasiprobability function. Our nonclassicality tests are based on the observation that two orthogonal quadratures in phase…
We introduce an extension of the particle-in-cell (PIC) method that captures the Landau collisional effects in the Vlasov-Maxwell-Landau equations. The method arises from a regularisation of the variational formulation of the Landau…