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The performance of different Quantum Mechanics/Molecular Mechanics embedding models to compute vacuo-to-water solvatochromic shifts are investigated. In particular, both non-polarizable and polarizable approaches are analyzed and computed…
We describe a novel framework for estimating subsurface properties, such as rock permeability and porosity, from time-lapse observed seismic data by coupling full-waveform inversion, subsurface flow processes, and rock physics models. For…
Land surface temperature (LST) retrieval from remote sensing data is pivotal for analyzing climate processes and surface energy budgets. However, LST retrieval is an ill-posed inverse problem, which becomes particularly severe when only a…
This paper is devoted to proving convergence rates of variational and iterative regularization methods under variational source conditions VSCs for inverse problems whose linearization satisfies a range invariance condition. In order to…
This paper presents a novel sampling scheme for masked non-autoregressive generative modeling. We identify the limitations of TimeVQVAE, MaskGIT, and Token-Critic in their sampling processes, and propose Enhanced Sampling Scheme (ESS) to…
Electrical impedance tomography (EIT) is a noninvasive imaging method whereby electrical measurements on the boundary of a conductive medium (the data) are taken according to a prescribed protocol set and inverted to map the internal…
The Bayesian uncertainty quantification technique has become well established in turbulence modeling over the past few years. However, it is computationally expensive to construct a globally accurate surrogate model for Bayesian inference…
Magnetic resonance imaging (MRI) based electrical properties tomography (EPT) is the quantification of the conductivity and permittivity of different tissues. These electrical properties can be obtained through different reconstruction…
The astounding success of these methods has made it imperative to obtain more explainable and trustworthy estimates from these models. In hydrology, basin characteristics can be noisy or missing, impacting streamflow prediction. For solving…
The Controlled Source Electromagnetic (CSEM) method aims to image electrical resistivity at intermediate depths (0-3 km) for geothermal, mineral, and groundwater exploration. It was developed both as a deeper extension of DC resistivity…
The Inverse Problem for the estimation of a point-wise approximation error occurring at the discretization and solving of the system of partial differential equations is addressed. The set of the differences between the numerical solutions…
Question answering (QA) systems achieve impressive performance on standard benchmarks like SQuAD, but remain vulnerable to adversarial examples. This project investigates the adversarial robustness of transformer models on the AddSent…
A general adaptive approach rooted in stratified sampling (SS) is proposed for sample-based uncertainty quantification (UQ). To motivate its use in this context the space-filling, orthogonality, and projective properties of SS are compared…
The need to blend observational data and mathematical models arises in many applications and leads naturally to inverse problems. Parameters appearing in the model, such as constitutive tensors, initial conditions, boundary conditions, and…
Determining the relationship between the electrical resistivity of soil and its geotechnical properties is an important engineering problem. This study aims to develop methodology for finding the best model that can be used to predict the…
Test-time adaptation aims to adapt to realistic environments in an online manner by learning during test time. Entropy minimization has emerged as a principal strategy for test-time adaptation due to its efficiency and adaptability.…
Projections of extreme sea levels (ESLs) are critical for managing coastal risks, but are made complicated by deep uncertainties. One key uncertainty is the choice of model structure used to estimate coastal hazards. Differences in model…
Distribution shifts are problems where the distribution of data changes between training and testing, which can significantly degrade the performance of a model deployed in the real world. Recent studies suggest that one reason for the…
We present a local and transferable machine learning approach capable of predicting the real-space density response of both molecules and periodic systems to external homogeneous electric fields. The new method, SALTER, builds on the…
We present a likelihood-free probabilistic inversion method based on normalizing flows for high-dimensional inverse problems. The proposed method is composed of two complementary networks: a summary network for data compression and an…