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Understanding and modeling the constitutive behavior of concrete is crucial for civil and defense applications, yet widely used phenomenological models such as Karagozian \& Case concrete (KCC) model depend on empirically calibrated failure…
Recently exciting progress has been made on protein contact prediction, but the predicted contacts for proteins without many sequence homologs is still of low quality and not very useful for de novo structure prediction. This paper presents…
The critical micelle concentration (CMC) of surfactant molecules is an essential property for surfactant applications in industry. Recently, classical QSPR and Graph Neural Networks (GNNs), a deep learning technique, have been successfully…
To better understand the equilibrium $\gamma^\prime$(L1$_2$) precipitate morphology in Co-based superalloys, a phase field modeling sensitivity analysis is conducted to examine how four phase-field parameters [initial Co concentration…
The techniques of data-driven backmapping from coarse-grained (CG) to fine-grained (FG) representation often struggle with accuracy, unstable training, and physical realism, especially when applied to complex systems such as proteins. In…
This paper proposes a lossless point cloud (PC) geometry compression method that uses neural networks to estimate the probability distribution of voxel occupancy. First, to take into account the PC sparsity, our method adaptively partitions…
Evolutionary symbolic regression approaches are powerful tools that can approximate an explicit mapping between input features and observation for various problems. However, ensuring that explored expressions maintain consistency with…
Computational Fluid Dynamics (CFD) is widely used in different engineering fields, but accurate simulations are dependent upon proper meshing of the simulation domain. While highly refined meshes may ensure precision, they come with high…
We propose a genetic algorithm powered evolution (GAPE) method to create deep learning solutions for energy and position estimation for reactor antineutrino interactions in the Precision Reactor Oscillation and Spectrum Experiment…
Obtaining high-quality labels is costly, whereas unlabeled covariates are often abundant, motivating semi-supervised inference methods with reliable uncertainty quantification. Prediction-powered inference (PPI) leverages a machine-learning…
We present a probabilistic data-driven weather model capable of providing an ensemble of high spatial resolution realizations of 87 variables at arbitrary forecast length and ensemble size. The model uses a stretched grid, dedicating 2.5 km…
The rapid evolution of generative AI, from GANs to modern diffusion models, has resulted in increasingly subtle discriminative clues. These fine-grained signals are often overshadowed by dominant, high-fidelity image content (e.g., the main…
We study the high-dimensional linear regression problem with categorical predictors that have many levels. We propose a new estimation approach, which performs model compression via two mechanisms by simultaneously encouraging (a)…
We present a technique to characterize differentially expressed genes in terms of their position in a high-dimensional co-expression network. The set-up of Gaussian graphical models is used to construct representations of the co-expression…
Deep neural networks have achieved strong performance in image classification tasks due to their ability to learn complex patterns from high-dimensional data. However, their large computational and memory requirements often limit deployment…
Machine learning models have shown great success in predicting weather up to two weeks ahead, outperforming process-based benchmarks. However, existing approaches mostly focus on the prediction task, and do not incorporate the necessary…
Surrogate-modelling techniques including Polynomial Chaos Expansion (PCE) is commonly used for statistical estimation (aka. Uncertainty Quantification) of quantities of interests obtained from expensive computational models. PCE is a…
This study evaluates the efficacy of two machine learning (ML) techniques, namely artificial neural networks (ANN) and gene expression programming (GEP) that use data-driven modeling to predict wall pressure spectra (WPS) underneath…
We propose a novel fine-grained cross-view localization method that estimates the 3 Degrees of Freedom pose of a ground-level image in an aerial image of the surroundings by matching fine-grained features between the two images. The pose is…
Coarse-graining (CG) accelerates molecular simulations of protein dynamics by simulating sets of atoms as singular beads. Backmapping is the opposite operation of bringing lost atomistic details back from the CG representation. While…