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The SHAP (short for Shapley additive explanation) framework has become an essential tool for attributing importance to variables in predictive tasks. In model-agnostic settings, SHAP uses the concept of Shapley values from cooperative game…
Principal Component Analysis (PCA) is a fundamental tool for data visualization, denoising, and dimensionality reduction. It is widely popular in Statistics, Machine Learning, Computer Vision, and related fields. However, PCA is well-known…
We propose a Bayesian hierarchical model to address the challenge of spatial misalignment in spatio-temporal data obtained from in situ and satellite sources. The model is fit using the INLA-SPDE approach, which provides efficient…
A non-isothermal phase field model that captures both displacive and diffusive phase transformations in a unified framework is presented. The model is developed in a formal thermodynamic setting, which provides guidance on admissible…
We use the Bethe approximation to calculate the critical temperature for the transition from a paramagnetic to a glassy phase in spin-glass models on real-world graphs. Our criterion is based on the marginal stability of the minimum of the…
Integral equation theory calculations within the mean spherical approximation (MSA) and grand canonical Monte Carlo (MC) simulations are employed to study the phase behaviour of a symmetrical binary fluid mixture in the presence of a field…
Apoptosis is one of the most basic biological processes. In apoptosis, tens of species are involved in many biochemical reactions with times scales of widely differing orders of magnitude. By the law of mass action, the process is…
Active symmetry control - a central challenge in materials science, particularly in ferroelectrics - is achieved via mechanically assisted poling (MAP) guided by thermodynamics and phase - field modeling. This approach yields extraordinary…
In response to the escalating need for sustainable manufacturing, this study introduces a Simulation-Based Approach (SBA) to model a stopping policy for energy-intensive stochastic production systems, developed and tested in a real-world…
We propose a Bayesian evidence-based inference framework based on relative belief ratios and apply it to discriminating between one and two incoherent optical point sources using spatial-mode demultiplexing (SPADE). Unlike the Helstrom…
One of the greatest challenges in IC design is the repeated executions of computationally expensive SPICE simulations, particularly when highly complex chip testing/verification is involved. Recently, pseudo transient analysis (PTA) has…
Missing data is a common challenge in biomedical research. This fact, along with growing dataset volumes of the modern era, make the issue of computationally-efficient analysis with missing data of crucial practical importance. A general…
In the era of large time-domain spectro-photometric surveys, surface variations such as starspots, chemical inhomogeneities, pulsations, rotational distortions, and binary interactions can now be directly detected and modelled. Accurately…
This paper applies the Bayesian Model Averaging (BMA) statistical ensemble technique to estimate small molecule solvation free energies. There is a wide range of methods available for predicting solvation free energies, ranging from…
Ensembles of climate models are commonly used to improve climate predictions and assess the uncertainties associated with them. Weighting the models according to their performances holds the promise of further improving their predictions.…
Processing maps are key to guiding the thermo-mechanical processing (TMP) of superalloys. However, traditional processing maps are incapable of delimiting failure, which is an essential factor to be concerned about during the TMP of…
We present a new tool, GPA, that can generate key performance measures for very large systems. Based on solving systems of ordinary differential equations (ODEs), this method of performance analysis is far more scalable than stochastic…
The asymmetric exclusion process (ASEP) has attracted a lot of interest not only because its many applications, e.g. in the context of the kinetics of biopolymerization and traffic flow theory, but also because it is a paradigmatic model…
Spectral estimation (SE) aims to identify how the energy of a signal (e.g., a time series) is distributed across different frequencies. This can become particularly challenging when only partial and noisy observations of the signal are…
We introduce an inferential framework for a wide class of semi-linear stochastic differential equations (SDEs). Recent work has shown that numerical splitting schemes can preserve critical properties of such types of SDEs, give rise to…