Related papers: A Correspondence Between Deep Boltzmann Machines a…
Topological band theory predicts a $\mathbb{Z}$ classification of three-dimensional (3D) Dirac semimetals (DSMs) at the single-particle level. Namely, an arbitrary number of identical bulk Dirac nodes will always remain locally stable and…
In this project, we present a deep neural network (DNN)-based biophysics model that uses multi-scale and uniform topological and electrostatic features to predict protein properties, such as Coulomb energies or solvation energies. The…
Investigations of molecular bonds between single molecules and molecular complexes by the dynamic force spectroscopy are subject to large fluctuations at nanoscale and possible other aspecific binding, which mask the experimental output.…
Dynamical Mean-Field Theory (DMFT) has opened new perspectives for the investigation of strongly correlated electron systems and greatly improved our understanding of correlation effects in models and materials. In contrast to…
We present a new, systematic approach for analyzing network topologies. We first introduce the dK-series of probability distributions specifying all degree correlations within d-sized subgraphs of a given graph G. Increasing values of d…
We present an algorithm for the fast computation of the general $N$-point spatial correlation functions of any discrete point set embedded within an Euclidean space of $\mathbb{R}^n$. Utilizing the concepts of kd-trees and graph databases,…
The strongly correlated fermions play a vital role in modern physics. For a given fermionic Hamiltonian system, the most widely used approach to explore the underlying physics is to study the wave function that incorporates Fermi-Dirac…
We extend Probability Bracket Notation (PBN), inspired by the Dirac notation in quantum mechanics, to multivariable probability systems and static Bayesian networks (BNs). By defining probability distributions and conditional expectations…
Alternative unsplit-filed-based absorbing boundary condition (ABC) computation approach for the finite-difference time-domain (FDTD) is efficiently proposed based on the deep differentiable forest. The deep differentiable forest (DDF) model…
Hopfield networks (HNs) and Restricted Boltzmann Machines (RBMs) are two important models at the interface of statistical physics, machine learning, and neuroscience. Recently, there has been interest in the relationship between HNs and…
We study the family of network models derived by requiring the expected properties of a graph ensemble to match a given set of measurements of a real-world network, while maximizing the entropy of the ensemble. Models of this type play the…
Deep neural networks (DNNs) achieve remarkable performance on a wide range of tasks, yet their mathematical analysis remains fragmented: stability and generalization are typically studied in disparate frameworks and on a case-by-case basis.…
Restricted Boltzmann machines (RBMs) and their extensions, called 'deep-belief networks', are powerful neural networks that have found applications in the fields of machine learning and artificial intelligence. The standard way to training…
In this paper we study non-interactive correlation distillation (NICD), a generalization of the study of noise sensitivity of boolean functions. We extend the model to NICD on trees. In this model there is a fixed undirected tree with…
We introduce a numerical algorithm to stochastically sample the dual fermion perturbation series around the dynamical mean field theory, generating all topologies of two-particle interaction vertices. We show results in the weak and strong…
Deep neural networks (DNNs) have been used to successfully predict molecular properties calculated based on the Kohn--Sham density functional theory (KS-DFT). Although this prediction is fast and accurate, we believe that a DNN model for…
We investigate a correspondence between two formalisms for discrete probabilistic modeling: probabilistic graphical models (PGMs) and tensor networks (TNs), a powerful modeling framework for simulating complex quantum systems. The graphical…
In rigidly supersymmetric quantum theories, the Nicolai map allows one to turn on a coupling constant (from zero to a finite value) by keeping the (free) functional integration measure but subjecting the fields to a particular nonlocal and…
We address the problem of estimating topological features from data in high dimensional Euclidean spaces under the manifold assumption. Our approach is based on the computation of persistent homology of the space of data points endowed with…
In this work we give a comprehensive derivation of an exact and numerically feasible method to perform ab-initio calculations of quantum particles interacting with a quantized electromagnetic field. We present a hierachy of…