Kevin R. Moon

Andres F. Duque, Guy Wolf, Kevin R. Moon

The integration of multimodal data presents a challenge in cases when the study of a given phenomena by different instruments or conditions generates distinct but related domains. Many existing data integration methods assume a known one-to-one correspondence between domains of the entire dataset, which may be unrealistic. Furthermore, existing manifold alignment methods are not suited for cases where the data contains domain-specific regions, i.e., there is not a counterpart for a certain portion of the data in the other domain. We propose Diffusion Transport Alignment (DTA), a semi-supervised manifold alignment method that exploits prior correspondence knowledge between only a few points to align the domains. By building a diffusion process, DTA finds a transportation plan between data measured from two heterogeneous domains with different feature spaces, which by assumption, share a similar geometrical structure coming from the same underlying data generating process. DTA can also compute a partial alignment in a data-driven fashion, resulting in accurate alignments when some data are measured in only one domain. We empirically demonstrate that DTA outperforms other methods in aligning multimodal data in this semisupervised setting. We also empirically show that the alignment obtained by DTA can improve the performance of machine learning tasks, such as domain adaptation, inter-domain feature mapping, and exploratory data analysis, while outperforming competing methods.

Andres F. Duque, Myriam Lizotte, Guy Wolf et al.

Multi-domain data is becoming increasingly common and presents both challenges and opportunities in the data science community. The integration of distinct data-views can be used for exploratory data analysis, and benefit downstream analysis including machine learning related tasks. With this in mind, we present a novel manifold alignment method called MALI (Manifold alignment with label information) that learns a correspondence between two distinct domains. MALI can be considered as belonging to a middle ground between the more commonly addressed semi-supervised manifold alignment problem with some known correspondences between the two domains, and the purely unsupervised case, where no known correspondences are provided. To do this, MALI learns the manifold structure in both domains via a diffusion process and then leverages discrete class labels to guide the alignment. By aligning two distinct domains, MALI recovers a pairing and a common representation that reveals related samples in both domains. Additionally, MALI can be used for the transfer learning problem known as domain adaptation. We show that MALI outperforms the current state-of-the-art manifold alignment methods across multiple datasets.

Adrien Aumon, Guy Wolf, Kevin R. Moon et al.

Decision forests induce supervised similarities through the partition structure of their trees. Yet forest proximity computation is still often treated as a quadratic operation in the number of samples, which limits scalability and restricts broader use in kernel and representation-learning pipelines. We introduce a unified view of leaf-collision forest proximities through a class of Separable Weighted Leaf-Collision (SWLC) kernels, showing that most existing proximities differ only in their weighting scheme while sharing a common sparse leaf-incidence structure. This yields an explicit leaf-space representation that clarifies their kernel interpretation and leads to an exact finite-sample sparse factorization of the proximity matrix, avoiding an explicit all-pairs comparison and reducing computation to sparse linear algebra over leaf collisions. We implement this framework in a memory-efficient Python library and show, both theoretically and empirically, that exact kernel computation scales near-linearly in time and memory under standard forest regimes. Benchmarks verify the predicted scaling behavior in practice across datasets, proximity definitions, and forest settings, and show that the resulting sparse leaf-space representation can also be used directly for fast task-aware embedding.

Thomas J. Kerby, Kevin R. Moon

Training-free guidance methods for continuous data have seen an explosion of interest due to the fact that they enable foundation diffusion models to be paired with interchangable guidance models. Currently, equivalent guidance methods for discrete diffusion models are unknown. We present a framework for applying training-free guidance to discrete data and demonstrate its utility on molecular graph generation tasks using the discrete diffusion model architecture of DiGress. We pair this model with guidance functions that return the proportion of heavy atoms that are a specific atom type and the molecular weight of the heavy atoms and demonstrate our method's ability to guide the data generation.

Scout Jarman, Zigfried Hampel-Arias, Adra Carr et al.

Deep learning identification models have shown promise for identifying gas plumes in Longwave IR hyperspectral images of urban scenes, particularly when a large library of gases are being considered. Because many gases have similar spectral signatures, it is important to properly estimate the signal from a detected plume. Typically, a scene's global mean spectrum and covariance matrix are estimated to whiten the plume's signal, which removes the background's signature from the gas signature. However, urban scenes can have many different background materials that are spatially and spectrally heterogeneous. This can lead to poor identification performance when the global background estimate is not representative of a given local background material. We use image segmentation, along with an iterative background estimation algorithm, to create local estimates for the various background materials that reside underneath a gas plume. Our method outperforms global background estimation on a set of simulated and real gas plumes. This method shows promise in increasing deep learning identification confidence, while being simple and easy to tune when considering diverse plumes.

Adrien Aumon, Shuang Ni, Myriam Lizotte et al.

Extensive research has produced robust methods for unsupervised data visualization. Yet supervised visualization$\unicode{x2013}$where expert labels guide representations$\unicode{x2013}$remains underexplored, as most supervised approaches prioritize classification over visualization. Recently, RF-PHATE, a diffusion-based manifold learning method leveraging random forests and information geometry, marked significant progress in supervised visualization. However, its lack of an explicit mapping function limits scalability and its application to unseen data, posing challenges for large datasets and label-scarce scenarios. To overcome these limitations, we introduce Random Forest Autoencoders (RF-AE), a neural network-based framework for out-of-sample kernel extension that combines the flexibility of autoencoders with the supervised learning strengths of random forests and the geometry captured by RF-PHATE. RF-AE enables efficient out-of-sample supervised visualization and outperforms existing methods, including RF-PHATE's standard kernel extension, in both accuracy and interpretability. Additionally, RF-AE is robust to the choice of hyperparameters and generalizes to any kernel-based dimensionality reduction method.

Adrien Aumon, Myriam Lizotte, Guy Wolf et al.

Label-supervised manifold alignment bridges the gap between unsupervised and correspondence-based paradigms by leveraging shared label information to align multimodal datasets. Still, most existing methods rely on Euclidean geometry to model intra-domain relationships. This approach can fail when features are only weakly related to the task of interest, leading to noisy, semantically misleading structure and degraded alignment quality. To address this limitation, we introduce FoSTA (Forest-guided Semantic Transport Alignment), a scalable alignment framework that leverages forest-induced geometry to denoise intra-domain structure and recover task-relevant manifolds prior to alignment. FoSTA builds semantic representations directly from label-informed forest affinities and aligns them via fast, hierarchical semantic transport, capturing meaningful cross-domain relationships. Extensive comparisons with established baselines demonstrate that FoSTA improves correspondence recovery and label transfer on synthetic benchmarks and delivers strong performance in practical single-cell applications, including batch correction and biological conservation.

Scout Jarman, Zigfried Hampel-Arias, Adra Carr et al.

Hyperspectral images (HSI) have many applications, ranging from environmental monitoring to national security, and can be used for material detection and identification. Longwave infrared (LWIR) HSI can be used for gas plume detection and analysis. Oftentimes, only a few images of a scene of interest are available and are analyzed individually. The ability to combine information from multiple images into a single, cohesive representation could enhance analysis by providing more context on the scene's geometry and spectral properties. Neural radiance fields (NeRFs) create a latent neural representation of volumetric scene properties that enable novel-view rendering and geometry reconstruction, offering a promising avenue for hyperspectral 3D scene reconstruction. We explore the possibility of using NeRFs to create 3D scene reconstructions from LWIR HSI and demonstrate that the model can be used for the basic downstream analysis task of gas plume detection. The physics-based DIRSIG software suite was used to generate a synthetic multi-view LWIR HSI dataset of a simple facility with a strong sulfur hexafluoride gas plume. Our method, built on the standard Mip-NeRF architecture, combines state-of-the-art methods for hyperspectral NeRFs and sparse-view NeRFs, along with a novel adaptive weighted MSE loss. Our final NeRF method requires around 50% fewer training images than the standard Mip-NeRF and achieves an average PSNR of 39.8 dB with as few as 30 training images. Gas plume detection applied to NeRF-rendered test images using the adaptive coherence estimator achieves an average AUC of 0.821 when compared with detection masks generated from ground-truth test images.

Pankhil Gawade, Adam Izdebski, Myriam Lizotte et al.

Pretrained transformers provide rich, general-purpose embeddings, which are transferred to downstream tasks. However, current transfer strategies: fine-tuning and probing, either distort the pretrained geometric structure of the embeddings or lack sufficient expressivity to capture task-relevant signals. These issues become even more pronounced when supervised data are scarce. Here, we introduce Freeze, Diffuse, Decode (FDD), a novel diffusion-based framework that adapts pre-trained embeddings to downstream tasks while preserving their underlying geometric structure. FDD propagates supervised signal along the intrinsic manifold of frozen embeddings, enabling a geometry-aware adaptation of the embedding space. Applied to antimicrobial peptide design, FDD yields low-dimensional, predictive, and interpretable representations that support property prediction, retrieval, and latent-space interpolation.

Ben Shaw, Adam Rustad, Sofia Pelagalli Maia et al.

Recent work has demonstrated the utility of Random Forest (RF) proximities for various supervised machine learning tasks, including outlier detection, missing data imputation, and visualization. However, the utility of the RF proximities depends upon the success of the RF model, which itself is not the ideal model in all contexts. RF proximities have recently been extended to time series by means of the distance-based Proximity Forest (PF) model, among others, affording time series analysis with the benefits of RF proximities. In this work, we introduce the generalized PF model, thereby extending RF proximities to all contexts in which supervised distance-based machine learning can occur. Additionally, we introduce a variant of the PF model for regression tasks. We also introduce the notion of using the generalized PF model as a meta-learning framework, extending supervised imputation capability to any pre-trained classifier. We experimentally demonstrate the unique advantages of the generalized PF model compared with both the RF model and the $k$-nearest neighbors model.

Ben Shaw, Sasidhar Kunapuli, Abram Magner et al.

Symmetry-informed machine learning can exhibit advantages over machine learning which fails to account for symmetry. In the context of continuous symmetry detection, current state of the art experiments are largely limited to detecting affine transformations. Herein, we outline a computationally efficient framework for discovering infinitesimal generators of multi-parameter group actions which are not generally affine transformations. This framework accommodates the automatic discovery of the number of linearly independent infinitesimal generators. We build upon recent work in continuous symmetry discovery by extending to neural networks and by restricting the symmetry search space to infinitesimal isometries. We also introduce symmetry enforcement of smooth models using vector field regularization, thereby improving model generalization. The notion of vector field similarity is also generalized for non-Euclidean Riemannian metric tensors.

Scout Jarman, Zigfried Hampel-Arias, Adra Carr et al.

Longwave infrared (LWIR) hyperspectral imaging can be used for many tasks in remote sensing, including detecting and identifying effluent gases by LWIR sensors on airborne platforms. Once a potential plume has been detected, it needs to be identified to determine exactly what gas or gases are present in the plume. During identification, the background underneath the plume needs to be estimated and removed to reveal the spectral characteristics of the gas of interest. Current standard practice is to use ``global" background estimation, where the average of all non-plume pixels is used to estimate the background for each pixel in the plume. However, if this global background estimate does not model the true background under the plume well, then the resulting signal can be difficult to identify correctly. The importance of proper background estimation increases when dealing with weak signals, large libraries of gases of interest, and with uncommon or heterogeneous backgrounds. In this paper, we propose two methods of background estimation, in addition to three existing methods, and compare each against global background estimation to determine which perform best at estimating the true background radiance under a plume, and for increasing identification confidence using a neural network classification model. We compare the different methods using 640 simulated plumes. We find that PCA is best at estimating the true background under a plume, with a median of 18,000 times less MSE compared to global background estimation. Our proposed K-Nearest Segments algorithm improves median neural network identification confidence by 53.2%.

Kelvyn K. Bladen, Adele Cutler, D. Richard Cutler et al.

Global variable importance measures are commonly used to interpret the results of machine learning models. Local variable importance techniques assess how variables contribute to individual observations. Current methods typically fail to accurately reflect locally dependent relationships between variables and instead focus on marginal importance values. Additionally, they are not natively adapted for multi-class classification problems. We propose a new model-agnostic method for calculating local variable importance, CLIQUE, that captures locally dependent relationships, improves over permutation-based methods, and can be directly applied to multi-category classification problems. Simulated and real-world examples show that CLIQUE emphasizes locally dependent information and properly reduces bias in regions where variables do not affect the response.

Shuang Ni, Adrien Aumon, Guy Wolf et al.

The value of supervised dimensionality reduction lies in its ability to uncover meaningful connections between data features and labels. Common dimensionality reduction methods embed a set of fixed, latent points, but are not capable of generalizing to an unseen test set. In this paper, we provide an out-of-sample extension method for the random forest-based supervised dimensionality reduction method, RF-PHATE, combining information learned from the random forest model with the function-learning capabilities of autoencoders. Through quantitative assessment of various autoencoder architectures, we identify that networks that reconstruct random forest proximities are more robust for the embedding extension problem. Furthermore, by leveraging proximity-based prototypes, we achieve a 40% reduction in training time without compromising extension quality. Our method does not require label information for out-of-sample points, thus serving as a semi-supervised method, and can achieve consistent quality using only 10% of the training data.

Ben Shaw, Abram Magner, Kevin R. Moon

Symmetry detection can improve various machine learning tasks. In the context of continuous symmetry detection, current state of the art experiments are limited to detecting affine transformations. Under the manifold assumption, we outline a framework for discovering continuous symmetry in data beyond the affine transformation group. We also provide a similar framework for discovering discrete symmetry. We experimentally compare our method to an existing method known as LieGAN and show that our method is competitive at detecting affine symmetries for large sample sizes and superior than LieGAN for small sample sizes. We also show our method is able to detect continuous symmetries beyond the affine group and is generally more computationally efficient than LieGAN.

Haozhe Chen, Andres Felipe Duque Correa, Guy Wolf et al.

Data visualization via dimensionality reduction is an important tool in exploratory data analysis. However, when the data are noisy, many existing methods fail to capture the underlying structure of the data. The method called Empirical Intrinsic Geometry (EIG) was previously proposed for performing dimensionality reduction on high dimensional dynamical processes while theoretically eliminating all noise. However, implementing EIG in practice requires the construction of high-dimensional histograms, which suffer from the curse of dimensionality. Here we propose a new data visualization method called Functional Information Geometry (FIG) for dynamical processes that adapts the EIG framework while using approaches from functional data analysis to mitigate the curse of dimensionality. We experimentally demonstrate that the resulting method outperforms a variant of EIG designed for visualization in terms of capturing the true structure, hyperparameter robustness, and computational speed. We then use our method to visualize EEG brain measurements of sleep activity.

Jake S. Rhodes, Adele Cutler, Kevin R. Moon

Random forests are considered one of the best out-of-the-box classification and regression algorithms due to their high level of predictive performance with relatively little tuning. Pairwise proximities can be computed from a trained random forest and measure the similarity between data points relative to the supervised task. Random forest proximities have been used in many applications including the identification of variable importance, data imputation, outlier detection, and data visualization. However, existing definitions of random forest proximities do not accurately reflect the data geometry learned by the random forest. In this paper, we introduce a novel definition of random forest proximities called Random Forest-Geometry- and Accuracy-Preserving proximities (RF-GAP). We prove that the proximity-weighted sum (regression) or majority vote (classification) using RF-GAP exactly matches the out-of-bag random forest prediction, thus capturing the data geometry learned by the random forest. We empirically show that this improved geometric representation outperforms traditional random forest proximities in tasks such as data imputation and provides outlier detection and visualization results consistent with the learned data geometry.

Teresa White, Jesse Wheeler, Colton Lindstrom et al.

Unmanned aerial vehicles (UAV) often rely on GPS for navigation. GPS signals, however, are very low in power and easily jammed or otherwise disrupted. This paper presents a method for determining the navigation errors present at the beginning of a GPS-denied period utilizing data from a synthetic aperture radar (SAR) system. This is accomplished by comparing an online-generated SAR image with a reference image obtained a priori. The distortions relative to the reference image are learned and exploited with a convolutional neural network to recover the initial navigational errors, which can be used to recover the true flight trajectory throughout the synthetic aperture. The proposed neural network approach is able to learn to predict the initial errors on both simulated and real SAR image data.

Andrés F. Duque, Sacha Morin, Guy Wolf et al.

A fundamental task in data exploration is to extract simplified low dimensional representations that capture intrinsic geometry in data, especially for faithfully visualizing data in two or three dimensions. Common approaches to this task use kernel methods for manifold learning. However, these methods typically only provide an embedding of fixed input data and cannot extend to new data points. Autoencoders have also recently become popular for representation learning. But while they naturally compute feature extractors that are both extendable to new data and invertible (i.e., reconstructing original features from latent representation), they have limited capabilities to follow global intrinsic geometry compared to kernel-based manifold learning. We present a new method for integrating both approaches by incorporating a geometric regularization term in the bottleneck of the autoencoder. Our regularization, based on the diffusion potential distances from the recently-proposed PHATE visualization method, encourages the learned latent representation to follow intrinsic data geometry, similar to manifold learning algorithms, while still enabling faithful extension to new data and reconstruction of data in the original feature space from latent coordinates. We compare our approach with leading kernel methods and autoencoder models for manifold learning to provide qualitative and quantitative evidence of our advantages in preserving intrinsic structure, out of sample extension, and reconstruction. Our method is easily implemented for big-data applications, whereas other methods are limited in this regard.

Jake S. Rhodes, Adele Cutler, Guy Wolf et al.

Dimensionality reduction is often used as an initial step in data exploration, either as preprocessing for classification or regression or for visualization. Most dimensionality reduction techniques to date are unsupervised; they do not take class labels into account (e.g., PCA, MDS, t-SNE, Isomap). Such methods require large amounts of data and are often sensitive to noise that may obfuscate important patterns in the data. Various attempts at supervised dimensionality reduction methods that take into account auxiliary annotations (e.g., class labels) have been successfully implemented with goals of increased classification accuracy or improved data visualization. Many of these supervised techniques incorporate labels in the loss function in the form of similarity or dissimilarity matrices, thereby creating over-emphasized separation between class clusters, which does not realistically represent the local and global relationships in the data. In addition, these approaches are often sensitive to parameter tuning, which may be difficult to configure without an explicit quantitative notion of visual superiority. In this paper, we describe a novel supervised visualization technique based on random forest proximities and diffusion-based dimensionality reduction. We show, both qualitatively and quantitatively, the advantages of our approach in retaining local and global structures in data, while emphasizing important variables in the low-dimensional embedding. Importantly, our approach is robust to noise and parameter tuning, thus making it simple to use while producing reliable visualizations for data exploration.

Nathan Brugnone, Alex Gonopolskiy, Mark W. Moyle et al.

Big data often has emergent structure that exists at multiple levels of abstraction, which are useful for characterizing complex interactions and dynamics of the observations. Here, we consider multiple levels of abstraction via a multiresolution geometry of data points at different granularities. To construct this geometry we define a time-inhomogeneous diffusion process that effectively condenses data points together to uncover nested groupings at larger and larger granularities. This inhomogeneous process creates a deep cascade of intrinsic low pass filters on the data affinity graph that are applied in sequence to gradually eliminate local variability while adjusting the learned data geometry to increasingly coarser resolutions. We provide visualizations to exhibit our method as a continuously-hierarchical clustering with directions of eliminated variation highlighted at each step. The utility of our algorithm is demonstrated via neuronal data condensation, where the constructed multiresolution data geometry uncovers the organization, grouping, and connectivity between neurons.

Andrés F. Duque, Guy Wolf, Kevin R. Moon

Manifold learning techniques for dynamical systems and time series have shown their utility for a broad spectrum of applications in recent years. While these methods are effective at learning a low-dimensional representation, they are often insufficient for visualizing the global and local structure of the data. In this paper, we present DIG (Dynamical Information Geometry), a visualization method for multivariate time series data that extracts an information geometry from a diffusion framework. Specifically, we implement a novel group of distances in the context of diffusion operators, which may be useful to reveal structure in the data that may not be accessible by the commonly used diffusion distances. Finally, we present a case study applying our visualization tool to EEG data to visualize sleep stages.

Salimeh Yasaei Sekeh, Morteza Noshad, Kevin R. Moon et al.

Bounding the best achievable error probability for binary classification problems is relevant to many applications including machine learning, signal processing, and information theory. Many bounds on the Bayes binary classification error rate depend on information divergences between the pair of class distributions. Recently, the Henze-Penrose (HP) divergence has been proposed for bounding classification error probability. We consider the problem of empirically estimating the HP-divergence from random samples. We derive a bound on the convergence rate for the Friedman-Rafsky (FR) estimator of the HP-divergence, which is related to a multivariate runs statistic for testing between two distributions. The FR estimator is derived from a multicolored Euclidean minimal spanning tree (MST) that spans the merged samples. We obtain a concentration inequality for the Friedman-Rafsky estimator of the Henze-Penrose divergence. We validate our results experimentally and illustrate their application to real datasets.

Morteza Noshad, Kevin R. Moon, Salimeh Yasaei Sekeh et al.

We propose a direct estimation method for Rényi and f-divergence measures based on a new graph theoretical interpretation. Suppose that we are given two sample sets $X$ and $Y$, respectively with $N$ and $M$ samples, where $η:=M/N$ is a constant value. Considering the $k$-nearest neighbor ($k$-NN) graph of $Y$ in the joint data set $(X,Y)$, we show that the average powered ratio of the number of $X$ points to the number of $Y$ points among all $k$-NN points is proportional to Rényi divergence of $X$ and $Y$ densities. A similar method can also be used to estimate f-divergence measures. We derive bias and variance rates, and show that for the class of $γ$-Hölder smooth functions, the estimator achieves the MSE rate of $O(N^{-2γ/(γ+d)})$. Furthermore, by using a weighted ensemble estimation technique, for density functions with continuous and bounded derivatives of up to the order $d$, and some extra conditions at the support set boundary, we derive an ensemble estimator that achieves the parametric MSE rate of $O(1/N)$. Our estimators are more computationally tractable than other competing estimators, which makes them appealing in many practical applications.

Kevin R. Moon, Morteza Noshad, Salimeh Yasaei Sekeh et al.

Information theoretic measures (e.g. the Kullback Liebler divergence and Shannon mutual information) have been used for exploring possibly nonlinear multivariate dependencies in high dimension. If these dependencies are assumed to follow a Markov factor graph model, this exploration process is called structure discovery. For discrete-valued samples, estimates of the information divergence over the parametric class of multinomial models lead to structure discovery methods whose mean squared error achieves parametric convergence rates as the sample size grows. However, a naive application of this method to continuous nonparametric multivariate models converges much more slowly. In this paper we introduce a new method for nonparametric structure discovery that uses weighted ensemble divergence estimators that achieve parametric convergence rates and obey an asymptotic central limit theorem that facilitates hypothesis testing and other types of statistical validation.

Stephen V. Gliske, Kevin R. Moon, William C. Stacey et al.

High frequency oscillations (HFOs) are a promising biomarker of epileptic brain tissue and activity. HFOs additionally serve as a prototypical example of challenges in the analysis of discrete events in high-temporal resolution, intracranial EEG data. Two primary challenges are 1) dimensionality reduction, and 2) assessing feasibility of classification. Dimensionality reduction assumes that the data lie on a manifold with dimension less than that of the feature space. However, previous HFO analyses have assumed a linear manifold, global across time, space (i.e. recording electrode/channel), and individual patients. Instead, we assess both a) whether linear methods are appropriate and b) the consistency of the manifold across time, space, and patients. We also estimate bounds on the Bayes classification error to quantify the distinction between two classes of HFOs (those occurring during seizures and those occurring due to other processes). This analysis provides the foundation for future clinical use of HFO features and buides the analysis for other discrete events, such as individual action potentials or multi-unit activity.

Kevin R. Moon, Veronique Delouille, Alfred O. Hero

Meta learning uses information from base learners (e.g. classifiers or estimators) as well as information about the learning problem to improve upon the performance of a single base learner. For example, the Bayes error rate of a given feature space, if known, can be used to aid in choosing a classifier, as well as in feature selection and model selection for the base classifiers and the meta classifier. Recent work in the field of f-divergence functional estimation has led to the development of simple and rapidly converging estimators that can be used to estimate various bounds on the Bayes error. We estimate multiple bounds on the Bayes error using an estimator that applies meta learning to slowly converging plug-in estimators to obtain the parametric convergence rate. We compare the estimated bounds empirically on simulated data and then estimate the tighter bounds on features extracted from an image patch analysis of sunspot continuum and magnetogram images.

Kevin R. Moon, Veronique Delouille, Jimmy J. Li et al.

Separating active regions that are quiet from potentially eruptive ones is a key issue in Space Weather applications. Traditional classification schemes such as Mount Wilson and McIntosh have been effective in relating an active region large scale magnetic configuration to its ability to produce eruptive events. However, their qualitative nature prevents systematic studies of an active region's evolution for example. We introduce a new clustering of active regions that is based on the local geometry observed in Line of Sight magnetogram and continuum images. We use a reduced-dimension representation of an active region that is obtained by factoring the corresponding data matrix comprised of local image patches. Two factorizations can be compared via the definition of appropriate metrics on the resulting factors. The distances obtained from these metrics are then used to cluster the active regions. We find that these metrics result in natural clusterings of active regions. The clusterings are related to large scale descriptors of an active region such as its size, its local magnetic field distribution, and its complexity as measured by the Mount Wilson classification scheme. We also find that including data focused on the neutral line of an active region can result in an increased correspondence between our clustering results and other active region descriptors such as the Mount Wilson classifications and the $R$ value. We provide some recommendations for which metrics, matrix factorization techniques, and regions of interest to use to study active regions.

Kevin R. Moon, Jimmy J. Li, Veronique Delouille et al.

The flare-productivity of an active region is observed to be related to its spatial complexity. Mount Wilson or McIntosh sunspot classifications measure such complexity but in a categorical way, and may therefore not use all the information present in the observations. Moreover, such categorical schemes hinder a systematic study of an active region's evolution for example. We propose fine-scale quantitative descriptors for an active region's complexity and relate them to the Mount Wilson classification. We analyze the local correlation structure within continuum and magnetogram data, as well as the cross-correlation between continuum and magnetogram data. We compute the intrinsic dimension, partial correlation, and canonical correlation analysis (CCA) of image patches of continuum and magnetogram active region images taken from the SOHO-MDI instrument. We use masks of sunspots derived from continuum as well as larger masks of magnetic active regions derived from the magnetogram to analyze separately the core part of an active region from its surrounding part. We find the relationship between complexity of an active region as measured by Mount Wilson and the intrinsic dimension of its image patches. Partial correlation patterns exhibit approximately a third-order Markov structure. CCA reveals different patterns of correlation between continuum and magnetogram within the sunspots and in the region surrounding the sunspots. These results also pave the way for patch-based dictionary learning with a view towards automatic clustering of active regions.

Kevin R. Moon, Alfred O. Hero

The problem of f-divergence estimation is important in the fields of machine learning, information theory, and statistics. While several nonparametric divergence estimators exist, relatively few have known convergence properties. In particular, even for those estimators whose MSE convergence rates are known, the asymptotic distributions are unknown. We establish the asymptotic normality of a recently proposed ensemble estimator of f-divergence between two distributions from a finite number of samples. This estimator has MSE convergence rate of O(1/T), is simple to implement, and performs well in high dimensions. This theory enables us to perform divergence-based inference tasks such as testing equality of pairs of distributions based on empirical samples. We experimentally validate our theoretical results and, as an illustration, use them to empirically bound the best achievable classification error.

Kevin R. Moon, Jimmy J. Li, Veronique Delouille et al.

Sunspots, as seen in white light or continuum images, are associated with regions of high magnetic activity on the Sun, visible on magnetogram images. Their complexity is correlated with explosive solar activity and so classifying these active regions is useful for predicting future solar activity. Current classification of sunspot groups is visually based and suffers from bias. Supervised learning methods can reduce human bias but fail to optimally capitalize on the information present in sunspot images. This paper uses two image modalities (continuum and magnetogram) to characterize the spatial and modal interactions of sunspot and magnetic active region images and presents a new approach to cluster the images. Specifically, in the framework of image patch analysis, we estimate the number of intrinsic parameters required to describe the spatial and modal dependencies, the correlation between the two modalities and the corresponding spatial patterns, and examine the phenomena at different scales within the images. To do this, we use linear and nonlinear intrinsic dimension estimators, canonical correlation analysis, and multiresolution analysis of intrinsic dimension.