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We analyze the dynamics of an algorithm for approximate inference with large Gaussian latent variable models in a student-teacher scenario. To model nontrivial dependencies between the latent variables, we assume random covariance matrices…
A stochastic configuration interaction method based on evolutionary algorithm is designed as an affordable approximation to full configuration interaction (FCI). The algorithm comprises of initiation, propagation and termination steps,…
We study dynamic algorithms for maintaining fundamental algebraic properties of matrices, specifically, rank, basis, and full-rank submatrices, with applications to maximum matching on dynamic graphs. Prior dynamic algorithms for rank…
Heterogeneous treatment effect estimation in high-stakes applications demands models that simultaneously optimize precision, interpretability, and calibration. Many existing tree-based causal inference techniques, however, exhibit high…
We analyze the cut-off dependence of the fermion contribution to the finite temperature free energy density in ${\cal O}(g^2)$ lattice perturbation theory for several improved staggered fermion actions. Cut-off effects are drastically…
Side chain flexibility is an important factor in ligand binding. In order to determine the extent to which side chain flexibility is involved in ligand binding, a knowledge-based approach was taken. A database composed of examples of…
For many machine learning algorithms, predictive performance is critically affected by the hyperparameter values used to train them. However, tuning these hyperparameters can come at a high computational cost, especially on larger datasets,…
The effect of adjusting damping factor {\alpha}, from a small initial value {\alpha}0 to the final desired {\alpha}f value, upon then iterations needed for PageRank computation is observed. Adjustment of the damping factor is done in one or…
Stochastic methods offer an effective way to suppress coherent errors in quantum simulation. In particular, the randomized compilation protocol may reduce circuit depth by randomly sampling Hamiltonian terms rather than following the…
The discerning behavior of living systems relies on accurate interactions selected from the lot of molecular collisions occurring in the cell. To ensure the reliability of interactions, binding partners are classically envisioned as finely…
We consider recent progress in algorithms for generating gauge field configurations that include the dynamical effects of light fermions. We survey what has been achieved in recent state-of-the-art computations, and examine the trade-offs…
We discuss the lattice formulation of gauge theories with fermions in arbitrary representations of the color group, and present in detail the implementation of the HMC/RHMC algorithm for simulating dynamical fermions. We discuss the…
Recent results on QCD thermodynamics are presented. The nature of the T>0 transition is determined, which turns out to be an analytic cross-over. The absolute scale for this transition is calculated. The temperature dependent static…
Bridging the sim-to-real gap remains a fundamental challenge in robotics, as accurate dynamic parameter estimation is essential for reliable model-based control, realistic simulation, and safe deployment of manipulators. Traditional…
In this paper, a new fractional step method is proposed for simulating stiff and nonstiff chemically reacting flows. In stiff cases, a well-known spurious numerical phenomenon, i.e. the incorrect propagation speed of discontinuities, may be…
The class of $\alpha$-stable distributions is widely used in various applications, especially for modelling heavy-tailed data. Although the $\alpha$-stable distributions have been used in practice for many years, new methods for…
We present a new dynamical approach for measuring the temperature of a Hamiltonian dynamical system in the micro canonical ensemble of thermodynamics. We show that under the hypothesis of ergodicity the temperature can be computed as a…
In domains where users tend to develop long-term preferences that do not change too frequently, the stability of recommendations is an important factor of the perceived quality of a recommender system. In such cases, unstable…
We investigate an alternative to the Sequential Propagator Method used in Lattice QCD calculations of semileptonic form factors. We replace the sequential propagator with a stochastic propagator so that, in principle, all momentum and sink…
We investigate the potential of numerical algorithms to decipher the kinetic parameters involved in multi-step chemical reactions. To this end we study a dimerization kinetics of protein as a model system. We follow the dimerization…