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We introduce constrained Gaussian process (CGP), a Gaussian process model for random functions that allows easy placement of mathematical constrains (e.g., non-negativity, monotonicity, etc) on its sample functions. CGP comes with…
The multivariate generalized Gaussian distribution (MGGD), also known as the multivariate exponential power (MEP) distribution, is widely used in signal and image processing. However, estimating MGGD parameters, which is required in…
Recent advances in molecular representation learning have produced highly effective encodings of molecules for numerous cheminformatics and bioinformatics tasks. However, extracting general chemical insight while balancing predictive…
Recent advances in representation learning have successfully leveraged the underlying domain-specific structure of data across various fields. However, representing diverse and complex entities stored in tabular format within a latent space…
We investigate the use of Genetic Programming (GP) as a convolutional predictor for missing pixels in images. The training phase is performed by sweeping a sliding window over an image, where the pixels on the border represent the inputs of…
Effective properties of composite materials are defined as the ensemble average of property-specific PDE solutions over the underlying microstructure distributions. Traditionally, predicting such properties can be done by solving PDEs…
Coarse grid projection (CGP) multigrid techniques are applicable to sets of equations that include at least one decoupled linear elliptic equation. In CGP, the linear elliptic equation is solved on a coarsened grid compared to the other…
In this study, a coarse-graining framework for discrete models is formulated on the basis of multiscale homogenization. The discrete model considered in this paper is the Lattice Discrete Particle Model (LDPM), which simulates concrete at…
Recent studies have demonstrated that many layers are functionally redundant in large language models (LLMs), enabling model compression by removing these layers to reduce inference cost. While such approaches can improve efficiency,…
Classifying soil images contributes to better land management, increased agricultural output, and practical solutions for environmental issues. The development of various disciplines, particularly agriculture, civil engineering, and natural…
Representation learning on graphs, also called graph embedding, has demonstrated its significant impact on a series of machine learning applications such as classification, prediction and recommendation. However, existing work has largely…
The selection of coarse-grained (CG) mapping operators is a critical step for CG molecular dynamics (MD) simulation. It is still an open question about what is optimal for this choice and there is a need for theory. The current state-of-the…
A persistent challenge in predictive molecular modeling of thermoset polymers is to capture the effects of chemical composition and degree of crosslinking (DC) on dynamical and mechanical properties with high computational efficiency. We…
We introduce a soft computing approach for automatically selecting and combining indices from remote sensing multispectral images that can be used for classification tasks. The proposed approach is based on a Genetic-Programming (GP)…
This work presents a set of optimal machine learning (ML) models to represent the temporal degradation suffered by the power conversion efficiency (PCE) of polymeric organic solar cells (OSCs) with a multilayer structure…
The impact of a management intervention on the soil organic carbon (SOC) stored in a given volume of soil is moderated by features that determine that soil's sequestration potential under that intervention. To maximize total SOC…
This research proposes a flexible Bayesian extension of the composite Gaussian process (CGP) model of Ba and Joseph (2012) for predicting (stationary or) non-stationary $y(\mathbf{x})$. The CGP generalizes the regression plus stationary…
Compressed sensing (CS) shows that a signal having a sparse or compressible representation can be recovered from a small set of linear measurements. In classical CS theory, the sampling matrix and representation matrix are assumed to be…
Advanced modern technology and industrial sustainability theme have contributed implementing composite materials for various industrial applications. Green composites are among the desired alternatives for the green products. However, to…
Today's HPC applications are producing extremely large amounts of data, such that data storage and analysis are becoming more challenging for scientific research. In this work, we design a new error-controlled lossy compression algorithm…