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Diffusion models have emerged as a promising approach for generating high-quality, high-dimensional images. Nevertheless, these models are hindered by their high computational cost and slow inference, partly due to the quadratic…
A cardinal obstacle to performing quantum-mechanical simulations of strongly-correlated matter is that, with the theoretical tools presently available, sufficiently-accurate computations are often too expensive to be ever feasible. Here we…
Co-expression network is a critical technique for the identification of inter-gene interactions, which usually relies on all-pairs correlation (or similar measure) computation between gene expression profiles across multiple samples.…
We describe computational methods for the theoretical study of explicit correlations beyond the mean field in excitons confined in semiconductor quantum dots in terms of the Auxiliary-Field Monte Carlo (AFMC) method. Using AFMC, the…
In this chapter we focus first on the theoretical methods and relevant computational approaches to calculate the electronic structure of atoms, molecules, and clusters containing heavy elements for which relativistic effects become…
A new real-time PC based algorithm and a compact C++ code to operate in a real-time mode with a 48x128 strip double side position sensitive large area silicon radiation detector Micron Semiconductors (UK) are developed and tested. Namely…
Accurately estimating friction coefficients between arbitrary material pairs is critical for robotics, digital fabrication, and physics-based simulation, but exhaustive pairwise testing scales quadratically with the number of materials. We…
We develop a pairing-field formalism for ab initio studies of non-relativistic two-component fermions on a $(d\!+\!1)$-dimensional spacetime lattice. More specifically, we focus on theories where the interaction between the two components…
Computer simulation is an important tool for scientific progress, especially when lab experiments are either extremely costly and difficult or lack the required resolution. However, all of the simulation methods come with limitations. In…
Sequences of nucleotides (for DNA and RNA) or amino acids (for proteins) are central objects in biology. Among the most important computational problems is that of sequence alignment, i.e. arranging sequences from different organisms in…
We present a fully automated, anatomically guided deep learning pipeline for prostate cancer (PCa) risk stratification using routine MRI. The pipeline integrates three key components: an nnU-Net module for segmenting the prostate gland and…
This article concerns the weak Galerkin mixed finite element method (WG-MFEM) for second order elliptic equations on 2D domains with curved boundary. The Neumann boundary condition is considered since it becomes the essential boundary…
Comparing mathematical models offers a means to evaluate competing scientific theories. However, exact methods of model calibration are not applicable to many probabilistic models which simulate high-dimensional spatio-temporal data.…
In this paper, we propose and analyze an additive domain decomposition method (DDM) for solving the high-frequency Helmholtz equation with the Sommerfeld radiation condition. In the proposed method, the computational domain is partitioned…
Diffusion plays a key role in microstructure evolution at multicomponent alloys: diffusion controls the kinetics of phase transformations and alloy homogenization. This study aims at developing computationally efficient approaches to…
We present an alternative method to calculate cross sections for multi-parton scattering processes in the Standard Model at leading order. The helicity amplitudes are computed using recursion relations in the number of particles, based on…
Motivation: Standard algorithms for pairwise protein sequence alignment make the simplifying assumption that amino acid substitutions at neighboring sites are uncorrelated. This assumption allows implementation of fast algorithms for…
Accurately modeling and designing protein complex structures is a central problem in computational structural biology, with broad implications for understanding cellular function and developing therapeutics. This thesis investigates two…
Analysis of three-particle correlations is performed on the basis of simulation data of atomic dynamics in liquid and amorphous aluminium. A three-particle correlation function is introduced to characterize the relative positions of various…
The quark-meson-coupling model is used to study droplet formation from the liquid-gas phase transition in cold asymmetric nuclear matter. The critical density and proton fraction for the phase transition are determined in the mean field…