arXiv subjects

Julio Enrique Castrillon-Candas

Publications and source records attributed to Julio Enrique Castrillon-Candas.

8 recordsLinked to original sources

arXiv2026

Stochastic tensor space feature theory with applications to robust machine learning

In this paper we develop a Multilevel Orthogonal Subspace (MOS) Karhunen--Loève feature theory based on stochastic tensor spaces, for the construction of robust machine learning features. Training data are treated as instances of a random field within a relevant Bochner space. Our key observation is that separate machine learning classes can reside predominantly in mostly distinct subspaces. Using the Karhunen-Loève expansion and a hierarchical expansion of the first (nominal) class, a MOS is constructed to detect anomalous signal components, treating the second class as an outlier of the first. The projection coefficients of the input data into these subspaces are then used to train a Machine Learning (ML) classifier. These coefficients become new features from which much clearer separation surfaces can arise for the underlying classes. We test our approach on blood plasma and cerebrospinal fluid datasets (Alzheimer's Disease Neuroimaging Initiative). The tests show significant increases in accuracy by applying them to Support Vector Machines and (Deep) Neural Networks. Furthermore, from non-invasive blood test, high-accuracy results can be obtained for predicting AD stages such as cognitive normal, mild cognitive impairment and dementia. The non-invasive nature of this test is significant since it can potentially avoid other painful tests.

stat.ML↗

arXiv2026

deFOREST: Fusing Optical and Radar satellite data for Enhanced Sensing of Tree-loss

In this paper we develop a deforestation detection pipeline that incorporates optical and Synthetic Aperture Radar (SAR) data. A crucial component of the pipeline is the construction of anomaly maps of the optical data, which is done using the residual space of a discrete Karhunen-Loéve (KL) expansion. Anomalies are quantified using a concentration bound on the distribution of the residual components for the nominal state of the forest. This bound does not require prior knowledge on the distribution of the data. This is in contrast to statistical parametric methods that assume knowledge of the data distribution, an impractical assumption that is especially infeasible for high dimensional data such as ours. Once the optical anomaly maps are computed they are combined with SAR data, and the state of the forest is classified by using a Hidden Markov Model (HMM). We test our approach with Sentinel-1 (SAR) and Sentinel-2 (Optical) data on a $92\,km \times 92\,km$ region in the Amazon forest. The results show that both the hybrid optical-radar and optical only methods achieve high accuracy that is superior to the recent state-of-the-art hybrid method. Moreover, the hybrid method is significantly more robust in the case of sparse optical data that are common in highly cloudy regions.

stat.ML↗

arXiv2024

Uncertainty quantification of receptor ligand binding sites prediction

Recent advancements in protein docking site prediction have highlighted the limitations of traditional rigid docking algorithms, like PIPER, which often neglect critical stochastic elements such as solvent-induced fluctuations. These oversights can lead to inaccuracies in identifying viable docking sites due to the complexity of high-dimensional, stochastic energy manifolds with low regularity. To address this issue, our research introduces a novel model where the molecular shapes of ligands and receptors are represented using multi-variate Karhunen-Lo `eve (KL) expansions. This method effectively captures the stochastic nature of energy manifolds, allowing for a more accurate representation of molecular interactions.Developed as a plugin for PIPER, our scientific computing software enhances the platform, delivering robust uncertainty measures for the energy manifolds of ranked binding sites. Our results demonstrate that top-ranked binding sites, characterized by lower uncertainty in the stochastic energy manifold, align closely with actual docking sites. Conversely, sites with higher uncertainty correlate with less optimal docking positions. This distinction not only validates our approach but also sets a new standard in protein docking predictions, offering substantial implications for future molecular interaction research and drug development.

q-bio.QM↗

arXiv2024

Multilevel Stochastic Optimization for Imputation in Massive Medical Data Records

It has long been a recognized problem that many datasets contain significant levels of missing numerical data. A potentially critical predicate for application of machine learning methods to datasets involves addressing this problem. However, this is a challenging task. In this paper, we apply a recently developed multi-level stochastic optimization approach to the problem of imputation in massive medical records. The approach is based on computational applied mathematics techniques and is highly accurate. In particular, for the Best Linear Unbiased Predictor (BLUP) this multi-level formulation is exact, and is significantly faster and more numerically stable. This permits practical application of Kriging methods to data imputation problems for massive datasets. We test this approach on data from the National Inpatient Sample (NIS) data records, Healthcare Cost and Utilization Project (HCUP), Agency for Healthcare Research and Quality. Numerical results show that the multi-level method significantly outperforms current approaches and is numerically robust. It has superior accuracy as compared with methods recommended in the recent report from HCUP. Benchmark tests show up to 75% reductions in error. Furthermore, the results are also superior to recent state of the art methods such as discriminative deep learning.

stat.ML↗

arXiv2023

Analytic regularity of strong solutions for the complexified stochastic non-linear Poisson Boltzmann Equation

Semi-linear elliptic Partial Differential Equations (PDEs) such as the non-linear Poisson Boltzmann Equation (nPBE) is highly relevant for non-linear electrostatics in computational biology and chemistry. It is of particular importance for modeling potential fields from molecules in solvents or plasmas with stochastic fluctuations. The extensive applications include ones in condensed matter and solid state physics, chemical physics, electrochemistry, biochemistry, thermodynamics, statistical mechanics, and materials science, among others. In this paper we study the complex analytic properties of semi-linear elliptic Partial Differential Equations with respect to random fluctuations on the domain. We first prove the existence and uniqueness of the nPBE on a bounded domain in $\mathbb{R}^3$. This proof relies on the application of a contraction mapping reasoning, as the standard convex optimization argument for the deterministic nPBE no longer applies. Using the existence and uniqueness result we subsequently show that solution to the nPBE admits an analytic extension onto a well defined region in the complex hyperplane with respect to the number of stochastic variables. Due to the analytic extension, stochastic collocation theory for sparse grids predict algebraic to sub-exponential convergence rates with respect to the number of knots. A series of numerical experiments with sparse grids is consistent with this prediction and the analyticity result. Finally, this approach readily extends to a wide class of semi-linear elliptic PDEs.

math.NA↗

arXiv2020

Change Detection: A functional analysis perspective

We develop a new approach for detecting changes in the behavior of stochastic processes and random fields based on tensor product representations such as the Karhunen-Loève expansion. From the associated eigenspaces of the covariance operator a series of nested function spaces are constructed, allowing detection of signals lying in orthogonal subspaces. In particular this can succeed even if the stochastic behavior of the signal changes either in a global or local sense. A mathematical approach is developed to locate and measure sizes of extraneous components based on construction of multilevel nested subspaces. We show examples in $\mathbb{R}$ and on a spherical domain $\mathbb{S}^{2}$. However, the method is flexible, allowing the detection of orthogonal signals on general topologies, including spatio-temporal domains.

math.PR↗

arXiv2019

Analytic regularity and stochastic collocation of high dimensional Newton iterates

In this paper we introduce concepts from uncertainty quantification (UQ) and numerical analysis for the efficient evaluation of stochastic high dimensional Newton iterates. In particular, we develop complex analytic regularity theory of the solution with respect to the random variables. This justifies the application of sparse grids for the computation of stochastic moments. Convergence rates are derived and are shown to be subexponential or algebraic with respect to the number of realizations of random perturbations. Due the accuracy of the method, sparse grids are well suited for computing low probability events with high confidence. We apply our method to the power flow problem. Numerical experiments on the 39 bus New England power system model with large stochastic loads are consistent with the theoretical convergence rates.

math.NA↗

arXiv2013

A Discrete Adapted Hierarchical Basis Solver For Radial Basis Function Interpolation

In this paper we develop a discrete Hierarchical Basis (HB) to efficiently solve the Radial Basis Function (RBF) interpolation problem with variable polynomial order. The HB forms an orthogonal set and is adapted to the kernel seed function and the placement of the interpolation nodes. Moreover, this basis is orthogonal to a set of polynomials up to a given order defined on the interpolating nodes. We are thus able to decouple the RBF interpolation problem for any order of the polynomial interpolation and solve it in two steps: (1) The polynomial orthogonal RBF interpolation problem is efficiently solved in the transformed HB basis with a GMRES iteration and a diagonal, or block SSOR preconditioner. (2) The residual is then projected onto an orthonormal polynomial basis. We apply our approach on several test cases to study its effectiveness, including an application to the Best Linear Unbiased Estimator regression problem.

math.NA↗