Cencheng Shen

Eric W. Bridgeford, Jaewon Chung, Brian Gilbert et al.

Causal inference studies whether the presence of a variable influences an observed outcome. As measured by quantities such as the "average treatment effect," this paradigm is employed across numerous biological fields, from vaccine and drug development to policy interventions. Unfortunately, the majority of these methods are often limited to univariate outcomes. Our work generalizes causal estimands to outcomes with any number of dimensions or any measurable space, and formulates traditional causal estimands for nominal variables as causal discrepancy tests. We propose a simple technique for adjusting universally consistent conditional independence tests and prove that these tests are universally consistent causal discrepancy tests. Numerical experiments illustrate that our method, Causal CDcorr, leads to improvements in both finite sample validity and power when compared to existing strategies. Our methods are all open source and available at github.com/ebridge2/cdcorr.

Cencheng Shen, Youngser Park, Carey E. Priebe

In this paper, we introduce a novel and computationally efficient method for vertex embedding, community detection, and community size determination. Our approach leverages a normalized one-hot graph encoder and a rank-based cluster size measure. Through extensive simulations, we demonstrate the excellent numerical performance of our proposed graph encoder ensemble algorithm.

Cencheng Shen, Yuexiao Dong, Carey E. Priebe

Decision trees and random forest remain highly competitive for classification on medium-sized, standard datasets due to their robustness, minimal preprocessing requirements, and interpretability. However, a single tree suffers from high estimation variance, while large ensembles reduce this variance at the cost of substantial computational overhead and diminished interpretability. In this paper, we propose Decision Tree Embedding (DTE), a fast and effective method that leverages the leaf partitions of a trained classification tree to construct an interpretable feature representation. By using the sample means within each leaf region as anchor points, DTE maps inputs into an embedding space defined by the tree's partition structure, effectively circumventing the high variance inherent in decision-tree splitting rules. We further introduce an ensemble extension based on additional bootstrap trees, and pair the resulting embedding with linear discriminant analysis for classification. We establish several population-level theoretical properties of DTE, including its preservation of conditional density under mild conditions and a characterization of the resulting classification error. Empirical studies on synthetic and real datasets demonstrate that DTE strikes a strong balance between accuracy and computational efficiency, outperforming or matching random forest and shallow neural networks while requiring only a fraction of their training time in most cases. Overall, the proposed DTE method can be viewed either as a scalable decision tree classifier that improves upon standard split rules, or as a neural network model whose weights are learned from tree-derived anchor points, achieving an intriguing integration of both paradigms.

Cencheng Shen

Graph encoder embedding, a recent technique for graph data, offers speed and scalability in producing vertex-level representations from binary graphs. In this paper, we extend the applicability of this method to a general graph model, which includes weighted graphs, distance matrices, and kernel matrices. We prove that the encoder embedding satisfies the law of large numbers and the central limit theorem on a per-observation basis. Under certain condition, it achieves asymptotic normality on a per-class basis, enabling optimal classification through discriminant analysis. These theoretical findings are validated through a series of experiments involving weighted graphs, as well as text and image data transformed into general graph representations using appropriate distance metrics.

Shiyu Chen, Cencheng Shen, Youngser Park et al.

Graph neural networks (GNNs) have emerged as a powerful framework for a wide range of node-level graph learning tasks. However, their performance is often constrained by reliance on random or minimally informed initial feature representations, which can lead to slow convergence and suboptimal solutions. In this paper, we leverage a statistically grounded method, one-hot graph encoder embedding (GEE), to generate high-quality initial node features that enhance the end-to-end training of GNNs. We refer to this integrated framework as the GEE-powered GNN (GG), and demonstrate its effectiveness through extensive simulations and real-world experiments across both unsupervised and supervised settings. In node clustering, GG consistently achieves state-of-the-art performance, ranking first across all evaluated real-world datasets, while exhibiting faster convergence compared to the standard GNN. For node classification, we further propose an enhanced variant, GG-C, which concatenates the outputs of GG and GEE and outperforms competing baselines. These results confirm the importance of principled, structure-aware feature initialization in realizing the full potential of GNNs.

Cencheng Shen, Darren Edge, Jonathan Larson et al.

Modern datasets often consist of numerous samples with abundant features and associated timestamps. Analyzing such datasets to uncover underlying events typically requires complex statistical methods and substantial domain expertise. A notable example, and the primary data focus of this paper, is the global synthetic dataset from the Counter Trafficking Data Collaborative (CTDC) -- a global hub of human trafficking data containing over 200,000 anonymized records spanning from 2002 to 2022, with numerous categorical features for each record. In this paper, we propose a fast and scalable method for analyzing and extracting significant categorical feature interactions, and querying large language models (LLMs) to generate data-driven insights that explain these interactions. Our approach begins with a binarization step for categorical features using one-hot encoding, followed by the computation of graph covariance at each time. This graph covariance quantifies temporal changes in dependence structures within categorical data and is established as a consistent dependence measure under the Bernoulli distribution. We use this measure to identify significant feature pairs, such as those with the most frequent trends over time or those exhibiting sudden spikes in dependence at specific moments. These extracted feature pairs, along with their timestamps, are subsequently passed to an LLM tasked with generating potential explanations of the underlying events driving these dependence changes. The effectiveness of our method is demonstrated through extensive simulations, and its application to the CTDC dataset reveals meaningful feature pairs and potential data stories underlying the observed feature interactions.

Ariel Lubonja, Cencheng Shen, Carey Priebe et al.

New algorithms for embedding graphs have reduced the asymptotic complexity of finding low-dimensional representations. One-Hot Graph Encoder Embedding (GEE) uses a single, linear pass over edges and produces an embedding that converges asymptotically to the spectral embedding. The scaling and performance benefits of this approach have been limited by a serial implementation in an interpreted language. We refactor GEE into a parallel program in the Ligra graph engine that maps functions over the edges of the graph and uses lock-free atomic instrutions to prevent data races. On a graph with 1.8B edges, this results in a 500 times speedup over the original implementation and a 17 times speedup over a just-in-time compiled version.

Cencheng Shen, Yuexiao Dong

This paper analyzes neural networks through graph variables and statistical sufficiency. We interpret neural network layers as graph-based transformations, where neurons act as pairwise functions between inputs and learned anchor points. Within this formulation, we establish conditions under which layer outputs are sufficient for the layer inputs, that is, each layer preserves the conditional distribution of the target variable given the input variable. We explore two theoretical paths under this graph-based view. The first path assumes dense anchor points and shows that asymptotic sufficiency holds in the infinite-width limit and is preserved throughout training. The second path, more aligned with practical architectures, proves exact or approximate sufficiency in finite-width networks by assuming region-separated input distributions and constructing appropriate anchor points. This path can ensure the sufficiency property for an infinite number of layers, and provide error bounds on the optimal loss for both regression and classification tasks using standard neural networks. Our framework covers fully connected layers, general pairwise functions, ReLU and sigmoid activations, and convolutional neural networks. Overall, this work bridges statistical sufficiency, graph-theoretic representations, and deep learning, providing a new statistical understanding of neural networks.

Xihan Qin, Cencheng Shen

Graph is a ubiquitous representation of data in various research fields, and graph embedding is a prevalent machine learning technique for capturing key features and generating fixed-sized attributes. However, most state-of-the-art graph embedding methods are computationally and spatially expensive. Recently, the Graph Encoder Embedding (GEE) has been shown as the fastest graph embedding technique and is suitable for a variety of network data applications. As real-world data often involves large and sparse graphs, the huge sparsity usually results in redundant computations and storage. To address this issue, we propose an improved version of GEE, sparse GEE, which optimizes the calculation and storage of zero entries in sparse matrices to enhance the running time further. Our experiments demonstrate that the sparse version achieves significant speedup compared to the original GEE with Python implementation for large sparse graphs, and sparse GEE is capable of processing millions of edges within minutes on a standard laptop.

Cencheng Shen

This paper introduces a new kernel-based classifier by viewing kernel matrices as generalized graphs and leveraging recent progress in graph embedding techniques. The proposed method facilitates fast and scalable kernel matrix embedding, and seamlessly integrates multiple kernels to enhance the learning process. Our theoretical analysis offers a population-level characterization of this approach using random variables. Empirically, our method demonstrates superior running time compared to standard approaches such as support vector machines and two-layer neural network, while achieving comparable classification accuracy across various simulated and real datasets.

Cencheng Shen, Qizhe Wang, Carey E. Priebe

In this paper we propose a lightning fast graph embedding method called one-hot graph encoder embedding. It has a linear computational complexity and the capacity to process billions of edges within minutes on standard PC -- making it an ideal candidate for huge graph processing. It is applicable to either adjacency matrix or graph Laplacian, and can be viewed as a transformation of the spectral embedding. Under random graph models, the graph encoder embedding is approximately normally distributed per vertex, and asymptotically converges to its mean. We showcase three applications: vertex classification, vertex clustering, and graph bootstrap. In every case, the graph encoder embedding exhibits unrivalled computational advantages.

Carey E. Priebe, Cencheng Shen, Ningyuan Huang et al.

Neural networks have achieved remarkable successes in machine learning tasks. This has recently been extended to graph learning using neural networks. However, there is limited theoretical work in understanding how and when they perform well, especially relative to established statistical learning techniques such as spectral embedding. In this short paper, we present a simple generative model where unsupervised graph convolutional network fails, while the adjacency spectral embedding succeeds. Specifically, unsupervised graph convolutional network is unable to look beyond the first eigenvector in certain approximately regular graphs, thus missing inference signals in non-leading eigenvectors. The phenomenon is demonstrated by visual illustrations and comprehensive simulations.

Cencheng Shen, Yuexiao Dong

This paper investigates the utilization of maximum and average distance correlations for multivariate independence testing. We characterize their consistency properties in high-dimensional settings with respect to the number of marginally dependent dimensions, compare the advantages of each test statistic, examine their respective null distributions, and present a fast chi-square-based testing procedure. The resulting tests are non-parametric and applicable to both Euclidean distance and the Gaussian kernel as the underlying metric. To better understand the practical use cases of the proposed tests, we evaluate the empirical performance of the maximum distance correlation, average distance correlation, and the original distance correlation across various multivariate dependence scenarios, as well as conduct a real data experiment to test the presence of various cancer types and peptide levels in human plasma.

Cencheng Shen, Sambit Panda, Joshua T. Vogelstein

Distance correlation has gained much recent attention in the data science community: the sample statistic is straightforward to compute and asymptotically equals zero if and only if independence, making it an ideal choice to discover any type of dependency structure given sufficient sample size. One major bottleneck is the testing process: because the null distribution of distance correlation depends on the underlying random variables and metric choice, it typically requires a permutation test to estimate the null and compute the p-value, which is very costly for large amount of data. To overcome the difficulty, in this paper we propose a chi-square test for distance correlation. Method-wise, the chi-square test is non-parametric, extremely fast, and applicable to bias-corrected distance correlation using any strong negative type metric or characteristic kernel. The test exhibits a similar testing power as the standard permutation test, and can be utilized for K-sample and partial testing. Theory-wise, we show that the underlying chi-square distribution well approximates and dominates the limiting null distribution in upper tail, prove the chi-square test can be valid and universally consistent for testing independence, and establish a testing power inequality with respect to the permutation test.

Sambit Panda, Cencheng Shen, Ronan Perry et al.

The K-sample testing problem involves determining whether K groups of data points are each drawn from the same distribution. Analysis of variance is arguably the most classical method to test mean differences, along with several recent methods to test distributional differences. In this paper, we demonstrate the existence of a transformation that allows K-sample testing to be carried out using any dependence measure. Consequently, universally consistent K-sample testing can be achieved using a universally consistent dependence measure, such as distance correlation and the Hilbert-Schmidt independence criterion. This enables a wide range of dependence measures to be easily applied to K-sample testing.

Cencheng Shen, Jaewon Chung, Ronak Mehta et al.

Temporal data are increasingly prevalent in modern data science. A fundamental question is whether two time series are related or not. Existing approaches often have limitations, such as relying on parametric assumptions, detecting only linear associations, and requiring multiple tests and corrections. While many non-parametric and universally consistent dependence measures have recently been proposed, directly applying them to temporal data can inflate the p-value and result in an invalid test. To address these challenges, this paper introduces the temporal dependence statistic with block permutation to test independence between temporal data. Under proper assumptions, the proposed procedure is asymptotically valid and universally consistent for testing independence between stationary time series, and capable of estimating the optimal dependence lag that maximizes the dependence. Moreover, it is compatible with a rich family of distance and kernel based dependence measures, eliminates the need for multiple testing, and exhibits excellent testing power in various simulation settings.

Sambit Panda, Satish Palaniappan, Junhao Xiong et al.

We introduce hyppo, a unified library for performing multivariate hypothesis testing, including independence, two-sample, and k-sample testing. While many multivariate independence tests have R packages available, the interfaces are inconsistent and most are not available in Python. hyppo includes many state of the art multivariate testing procedures. The package is easy-to-use and is flexible enough to enable future extensions. The documentation and all releases are available at https://hyppo.neurodata.io.

Ronan Perry, Ronak Mehta, Richard Guo et al.

Information-theoretic quantities, such as conditional entropy and mutual information, are critical data summaries for quantifying uncertainty. Current widely used approaches for computing such quantities rely on nearest neighbor methods and exhibit both strong performance and theoretical guarantees in certain simple scenarios. However, existing approaches fail in high-dimensional settings and when different features are measured on different scales.We propose decision forest-based adaptive nearest neighbor estimators and show that they are able to effectively estimate posterior probabilities, conditional entropies, and mutual information even in the aforementioned settings.We provide an extensive study of efficacy for classification and posterior probability estimation, and prove certain forest-based approaches to be consistent estimators of the true posteriors and derived information-theoretic quantities under certain assumptions. In a real-world connectome application, we quantify the uncertainty about neuron type given various cellular features in the Drosophila larva mushroom body, a key challenge for modern neuroscience.

Cencheng Shen, Li Chen, Yuexiao Dong et al.

The sparse representation classifier (SRC) is shown to work well for image recognition problems that satisfy a subspace assumption. In this paper we propose a new implementation of SRC via screening, establish its equivalence to the original SRC under regularity conditions, and prove its classification consistency for random graphs drawn from stochastic blockmodels. The results are demonstrated via simulations and real data experiments, where the new algorithm achieves comparable numerical performance but significantly faster.

Sambit Panda, Cencheng Shen, Joshua T. Vogelstein

Decision forests are widely used for classification and regression tasks. A lesser known property of tree-based methods is that one can construct a proximity matrix from the tree(s), and these proximity matrices are induced kernels. While there has been extensive research on the applications and properties of kernels, there is relatively little research on kernels induced by decision forests. We construct Kernel Mean Embedding Random Forests (KMERF), which induce kernels from random trees and/or forests using leaf-node proximity. We introduce the notion of an asymptotically characteristic kernel, and prove that KMERF kernels are asymptotically characteristic for both discrete and continuous data. Because KMERF is data-adaptive, we suspected it would outperform kernels selected a priori on finite sample data. We illustrate that KMERF nearly dominates current state-of-the-art kernel-based tests across a diverse range of high-dimensional two-sample and independence testing settings. Furthermore, our forest-based approach is interpretable, and provides feature importance metrics that readily distinguish important dimensions, unlike other high-dimensional non-parametric testing procedures. Hence, this work demonstrates the decision forest-based kernel can be more powerful and more interpretable than existing methods, flying in the face of conventional wisdom of the trade-off between the two.

Cencheng Shen, Joshua T. Vogelstein

Distance-based tests, also called "energy statistics", are leading methods for two-sample and independence tests from the statistics community. Kernel-based tests, developed from "kernel mean embeddings", are leading methods for two-sample and independence tests from the machine learning community. A fixed-point transformation was previously proposed to connect the distance methods and kernel methods for the population statistics. In this paper, we propose a new bijective transformation between metrics and kernels. It simplifies the fixed-point transformation, inherits similar theoretical properties, allows distance methods to be exactly the same as kernel methods for sample statistics and p-value, and better preserves the data structure upon transformation. Our results further advance the understanding in distance and kernel-based tests, streamline the code base for implementing these tests, and enable a rich literature of distance-based and kernel-based methodologies to directly communicate with each other.

Cencheng Shen, Carey E. Priebe, Joshua T. Vogelstein

Understanding and developing a correlation measure that can detect general dependencies is not only imperative to statistics and machine learning, but also crucial to general scientific discovery in the big data age. In this paper, we establish a new framework that generalizes distance correlation --- a correlation measure that was recently proposed and shown to be universally consistent for dependence testing against all joint distributions of finite moments --- to the Multiscale Graph Correlation (MGC). By utilizing the characteristic functions and incorporating the nearest neighbor machinery, we formalize the population version of local distance correlations, define the optimal scale in a given dependency, and name the optimal local correlation as MGC. The new theoretical framework motivates a theoretically sound Sample MGC and allows a number of desirable properties to be proved, including the universal consistency, convergence and almost unbiasedness of the sample version. The advantages of MGC are illustrated via a comprehensive set of simulations with linear, nonlinear, univariate, multivariate, and noisy dependencies, where it loses almost no power in monotone dependencies while achieving better performance in general dependencies, compared to distance correlation and other popular methods.

Joshua T. Vogelstein, Eric Bridgeford, Qing Wang et al.

Understanding the relationships between different properties of data, such as whether a connectome or genome has information about disease status, is becoming increasingly important in modern biological datasets. While existing approaches can test whether two properties are related, they often require unfeasibly large sample sizes in real data scenarios, and do not provide any insight into how or why the procedure reached its decision. Our approach, "Multiscale Graph Correlation" (MGC), is a dependence test that juxtaposes previously disparate data science techniques, including k-nearest neighbors, kernel methods (such as support vector machines), and multiscale analysis (such as wavelets). Other methods typically require double or triple the number samples to achieve the same statistical power as MGC in a benchmark suite including high-dimensional and nonlinear relationships - spanning polynomial (linear, quadratic, cubic), trigonometric (sinusoidal, circular, ellipsoidal, spiral), geometric (square, diamond, W-shape), and other functions, with dimensionality ranging from 1 to 1000. Moreover, MGC uniquely provides a simple and elegant characterization of the potentially complex latent geometry underlying the relationship, providing insight while maintaining computational efficiency. In several real data applications, including brain imaging and cancer genetics, MGC is the only method that can both detect the presence of a dependency and provide specific guidance for the next experiment and/or analysis to conduct.

Tyler M. Tomita, James Browne, Cencheng Shen et al.

Decision forests, including Random Forests and Gradient Boosting Trees, have recently demonstrated state-of-the-art performance in a variety of machine learning settings. Decision forests are typically ensembles of axis-aligned decision trees; that is, trees that split only along feature dimensions. In contrast, many recent extensions to decision forests are based on axis-oblique splits. Unfortunately, these extensions forfeit one or more of the favorable properties of decision forests based on axis-aligned splits, such as robustness to many noise dimensions, interpretability, or computational efficiency. We introduce yet another decision forest, called "Sparse Projection Oblique Randomer Forests" (SPORF). SPORF uses very sparse random projections, i.e., linear combinations of a small subset of features. SPORF significantly improves accuracy over existing state-of-the-art algorithms on a standard benchmark suite for classification with >100 problems of varying dimension, sample size, and number of classes. To illustrate how SPORF addresses the limitations of both axis-aligned and existing oblique decision forest methods, we conduct extensive simulated experiments. SPORF typically yields improved performance over existing decision forests, while mitigating computational efficiency and scalability and maintaining interpretability. SPORF can easily be incorporated into other ensemble methods such as boosting to obtain potentially similar gains.

Cencheng Shen, Li Chen, Yuexiao Dong et al.

The sparse representation classifier (SRC) has been utilized in various classification problems, which makes use of L1 minimization and works well for image recognition satisfying a subspace assumption. In this paper we propose a new implementation of SRC via screening, establish its equivalence to the original SRC under regularity conditions, and prove its classification consistency under a latent subspace model and contamination. The results are demonstrated via simulations and real data experiments, where the new algorithm achieves comparable numerical performance and significantly faster.

Cencheng Shen, Joshua T. Vogelstein, Carey E. Priebe

Matching datasets of multiple modalities has become an important task in data analysis. Existing methods often rely on the embedding and transformation of each single modality without utilizing any correspondence information, which often results in sub-optimal matching performance. In this paper, we propose a nonlinear manifold matching algorithm using shortest-path distance and joint neighborhood selection. Specifically, a joint nearest-neighbor graph is built for all modalities. Then the shortest-path distance within each modality is calculated from the joint neighborhood graph, followed by embedding into and matching in a common low-dimensional Euclidean space. Compared to existing algorithms, our approach exhibits superior performance for matching disparate datasets of multiple modalities.

Li Chen, Cencheng Shen, Joshua Vogelstein et al.

For random graphs distributed according to stochastic blockmodels, a special case of latent position graphs, adjacency spectral embedding followed by appropriate vertex classification is asymptotically Bayes optimal; but this approach requires knowledge of and critically depends on the model dimension. In this paper, we propose a sparse representation vertex classifier which does not require information about the model dimension. This classifier represents a test vertex as a sparse combination of the vertices in the training set and uses the recovered coefficients to classify the test vertex. We prove consistency of our proposed classifier for stochastic blockmodels, and demonstrate that the sparse representation classifier can predict vertex labels with higher accuracy than adjacency spectral embedding approaches via both simulation studies and real data experiments. Our results demonstrate the robustness and effectiveness of our proposed vertex classifier when the model dimension is unknown.

Cencheng Shen, Ming Sun, Minh Tang et al.

For multiple multivariate data sets, we derive conditions under which Generalized Canonical Correlation Analysis (GCCA) improves classification performance of the projected datasets, compared to standard Canonical Correlation Analysis (CCA) using only two data sets. We illustrate our theoretical results with simulations and a real data experiment.

Donniell E. Fishkind, Cencheng Shen, Youngser Park et al.

Suppose that two large, multi-dimensional data sets are each noisy measurements of the same underlying random process, and principle components analysis is performed separately on the data sets to reduce their dimensionality. In some circumstances it may happen that the two lower-dimensional data sets have an inordinately large Procrustean fitting-error between them. The purpose of this manuscript is to quantify this "incommensurability phenomenon." In particular, under specified conditions, the square Procrustean fitting-error of the two normalized lower-dimensional data sets is (asymptotically) a convex combination (via a correlation parameter) of the Hausdorff distance between the projection subspaces and the maximum possible value of the square Procrustean fitting-error for normalized data. We show how this gives rise to the incommensurability phenomenon, and we employ illustrative simulations as well as a real data experiment to explore how the incommensurability phenomenon may have an appreciable impact.