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Multi-frequency Electrical Impedance Tomography (mfEIT) is an emerging biomedical imaging modality to reveal frequency-dependent conductivity distributions in biomedical applications. Conventional model-based image reconstruction methods…

We present a priori and a posteriori error analysis of a Virtual Element Method (VEM) to approximate the vibration frequencies and modes of an elastic solid. We analyze a variational formulation relying only on the solid displacement and…

In this paper, we study applications of the virtual element method (VEM) for simulating the deformation of multiphase composites. The VEM is a Galerkin approach that is applicable to meshes that consist of arbitrarily-shaped polygonal and…

Detailed modeling and simulation of biochemical systems is complicated by the problem of combinatorial complexity, an explosion in the number of species and reactions due to myriad protein-protein interactions and post-translational…

Modeling of high-dimensional data is very important to categorize different classes. We develop a new mixture model called Multinomial cluster-weighted model (MCWM). We derive the identifiability of a general class of MCWM. We estimate the…

Molecular activity prediction is critical in drug design. Machine learning techniques such as kernel methods and random forests have been successful for this task. These models require fixed-size feature vectors as input while the molecules…

This paper presents the concept of "model-based neural network"(MNN), which is inspired by the classic artificial neural network (ANN) but for different usages. Instead of being used as a data-driven classifier, a MNN serves as a modeling…

Using a Deep Neuronal Network model (DNN) trained on the large ANI-1 data set of small organic molecules, we propose a transferable density-free many-body dispersion model (DNN-MBD). The DNN strategy bypasses the explicit Hirshfeld…

The early detection of a pulmonary embolism (PE) is critical for enhancing patient survival rates. Both image-based and non-image-based features are of utmost importance in medical classification tasks. In a clinical setting, physicians…

Energy-based models (EBMs) have recently been successful in representing complex distributions of small images. However, sampling from them requires expensive Markov chain Monte Carlo (MCMC) iterations that mix slowly in high dimensional…

Characterizing the relationship between neural population activity and behavioral data is a central goal of neuroscience. While latent variable models (LVMs) are successful in describing high-dimensional time-series data, they are typically…

In data-driven drug discovery, designing molecular descriptors is a very important task. Deep generative models such as variational autoencoders (VAEs) offer a potential solution by designing descriptors as probabilistic latent vectors…

In order to decode the human brain, Multivariate Pattern (MVP) classification generates cognitive models by using functional Magnetic Resonance Imaging (fMRI) datasets. As a standard pipeline in the MVP analysis, brain patterns in…

A method for the calculation of elastic constants in the NVT ensamble, using molecular dynamics (MD) simulation with a realistic many-body embedded-atom-model (EAM) potential, is studied in detail. It is shown that in such NVT MD…

EfficientNet models are convolutional neural networks optimized for parameter allocation by jointly balancing network width, depth, and resolution. Renowned for their exceptional accuracy, these models have become a standard for image…

Traditionally for improving the segmentation performance of models, most approaches prefer to use adding more complex modules. And this is not suitable for the medical field, especially for mobile medical devices, where computationally…

Markov state models (MSMs) have been successful in computing metastable states, slow relaxation timescales and associated structural changes, and stationary or kinetic experimental observables of complex molecules from large amounts of…

Atomistic simulations can provide useful insights into the physical properties of multi-principal-element alloys. However, classical potentials mostly fail to capture key quantum (electronic-structure) effects. We present a deep 3D…

Imaging the bio-impedance distribution of a biological sample can provide understandings about the sample's electrical properties which is an important indicator of physiological status. This paper presents a multi-frequency electromagnetic…

We present an efficient hybrid Neural Network-Finite Element Method (NN-FEM) for solving the viscous-plastic (VP) sea-ice model. The VP model is widely used in climate simulations to represent large-scale sea-ice dynamics. However, the…