Step and Smooth Decompositions as Topological Clustering

We investigate a class of recovery problems for which observations are a noisy combination of continuous and step functions. These problems can be seen as non-injective instances of non-linear ICA with direct applications to image decontamination for magnetic resonance imaging. Alternately, the problem can be viewed as clustering in the presence of structured (smooth) contaminant. We show that a global topological property (graph connectivity) interacts with a local property (the degree of smoothness of the continuous component) to determine conditions under which the components are identifiable. Additionally, a practical estimation algorithm is provided for the case when the contaminant lies in a reproducing kernel Hilbert space of continuous functions. Algorithm effectiveness is demonstrated through a series of simulations and real-world studies.

Simplifying GNN Performance with Low Rank Kernel Models

We revisit recent spectral GNN approaches to semi-supervised node classification (SSNC). We posit that many of the current GNN architectures may be over-engineered. Instead, simpler, traditional methods from nonparametric estimation, applied in the spectral domain, could replace many deep-learning inspired GNN designs. These conventional techniques appear to be well suited for a variety of graph types reaching state-of-the-art performance on many of the common SSNC benchmarks. Additionally, we show that recent performance improvements in GNN approaches may be partially attributed to shifts in evaluation conventions. Lastly, an ablative study is conducted on the various hyperparameters associated with GNN spectral filtering techniques. Code available at: https://github.com/lucianoAvinas/lowrank-gnn-kernels

Nested stochastic block model for simultaneously clustering networks and nodes

We introduce the nested stochastic block model (NSBM) to cluster a collection of networks while simultaneously detecting communities within each network. NSBM has several appealing features including the ability to work on unlabeled networks with potentially different node sets, the flexibility to model heterogeneous communities, and the means to automatically select the number of classes for the networks and the number of communities within each network. This is accomplished via a Bayesian model, with a novel application of the nested Dirichlet process (NDP) as a prior to jointly model the between-network and within-network clusters. The dependency introduced by the network data creates nontrivial challenges for the NDP, especially in the development of efficient samplers. For posterior inference, we propose several Markov chain Monte Carlo algorithms including a standard Gibbs sampler, a collapsed Gibbs sampler, and two blocked Gibbs samplers that ultimately return two levels of clustering labels from both within and across the networks. Extensive simulation studies are carried out which demonstrate that the model provides very accurate estimates of both levels of the clustering structure. We also apply our model to two social network datasets that cannot be analyzed using any previous method in the literature due to the anonymity of the nodes and the varying number of nodes in each network.

LapGM: A Multisequence MR Bias Correction and Normalization Model

A spatially regularized Gaussian mixture model, LapGM, is proposed for the bias field correction and magnetic resonance normalization problem. The proposed spatial regularizer gives practitioners fine-tuned control between balancing bias field removal and preserving image contrast preservation for multi-sequence, magnetic resonance images. The fitted Gaussian parameters of LapGM serve as control values which can be used to normalize image intensities across different patient scans. LapGM is compared to well-known debiasing algorithm N4ITK in both the single and multi-sequence setting. As a normalization procedure, LapGM is compared to known techniques such as: max normalization, Z-score normalization, and a water-masked region-of-interest normalization. Lastly a CUDA-accelerated Python package $\texttt{lapgm}$ is provided from the authors for use.

Target alignment in truncated kernel ridge regression

Kernel ridge regression (KRR) has recently attracted renewed interest due to its potential for explaining the transient effects, such as double descent, that emerge during neural network training. In this work, we study how the alignment between the target function and the kernel affects the performance of the KRR. We focus on the truncated KRR (TKRR) which utilizes an additional parameter that controls the spectral truncation of the kernel matrix. We show that for polynomial alignment, there is an \emph{over-aligned} regime, in which TKRR can achieve a faster rate than what is achievable by full KRR. The rate of TKRR can improve all the way to the parametric rate, while that of full KRR is capped at a sub-optimal value. This shows that target alignemnt can be better leveraged by utilizing spectral truncation in kernel methods. We also consider the bandlimited alignment setting and show that the regularization surface of TKRR can exhibit transient effects including multiple descent and non-monotonic behavior. Our results show that there is a strong and quantifable relation between the shape of the \emph{alignment spectrum} and the generalization performance of kernel methods, both in terms of rates and in finite samples.

A non-graphical representation of conditional independence via the neighbourhood lattice

We introduce and study the neighbourhood lattice decomposition of a distribution, which is a compact, non-graphical representation of conditional independence that is valid in the absence of a faithful graphical representation. The idea is to view the set of neighbourhoods of a variable as a subset lattice, and partition this lattice into convex sublattices, each of which directly encodes a collection of conditional independence relations. We show that this decomposition exists in any compositional graphoid and can be computed efficiently and consistently in high-dimensions. {In particular, this gives a way to encode all of independence relations implied by a distribution that satisfies the composition axiom, which is strictly weaker than the faithfulness assumption that is typically assumed by graphical approaches.} We also discuss various special cases such as graphical models and projection lattices, each of which has intuitive interpretations. Along the way, we see how this problem is closely related to neighbourhood regression, which has been extensively studied in the context of graphical models and structural equations.

Distributed Learning of Generalized Linear Causal Networks

We consider the task of learning causal structures from data stored on multiple machines, and propose a novel structure learning method called distributed annealing on regularized likelihood score (DARLS) to solve this problem. We model causal structures by a directed acyclic graph that is parameterized with generalized linear models, so that our method is applicable to various types of data. To obtain a high-scoring causal graph, DARLS simulates an annealing process to search over the space of topological sorts, where the optimal graphical structure compatible with a sort is found by a distributed optimization method. This distributed optimization relies on multiple rounds of communication between local and central machines to estimate the optimal structure. We establish its convergence to a global optimizer of the overall score that is computed on all data across local machines. To the best of our knowledge, DARLS is the first distributed method for learning causal graphs with such theoretical guarantees. Through extensive simulation studies, DARLS has shown competing performance against existing methods on distributed data, and achieved comparable structure learning accuracy and test-data likelihood with competing methods applied to pooled data across all local machines. In a real-world application for modeling protein-DNA binding networks with distributed ChIP-Sequencing data, DARLS also exhibits higher predictive power than other methods, demonstrating a great advantage in estimating causal networks from distributed data.

Adjusted chi-square test for degree-corrected block models

We propose a goodness-of-fit test for degree-corrected stochastic block models (DCSBM). The test is based on an adjusted chi-square statistic for measuring equality of means among groups of $n$ multinomial distributions with $d_1,\dots,d_n$ observations. In the context of network models, the number of multinomials, $n$, grows much faster than the number of observations, $d_i$, hence the setting deviates from classical asymptotics. We show that a simple adjustment allows the statistic to converge in distribution, under null, as long as the harmonic mean of $\{d_i\}$ grows to infinity. This result applies to large sparse networks where the role of $d_i$ is played by the degree of node $i$. Our distributional results are nonasymptotic, with explicit constants, providing finite-sample bounds on the Kolmogorov-Smirnov distance to the target distribution. When applied sequentially, the test can also be used to determine the number of communities. The test operates on a (row) compressed version of the adjacency matrix, conditional on the degrees, and as a result is highly scalable to large sparse networks. We incorporate a novel idea of compressing the columns based on a $(K+1)$-community assignment when testing for $K$ communities. This approach increases the power in sequential applications without sacrificing computational efficiency, and we prove its consistency in recovering the number of communities. Since the test statistic does not rely on a specific alternative, its utility goes beyond sequential testing and can be used to simultaneously test against a wide range of alternatives outside the DCSBM family. We show the effectiveness of the approach by extensive numerical experiments with simulated and real data. In particular, applying the test to the Facebook-100 dataset, we find that a DCSBM with a small number of communities is far from a good fit in almost all cases.

Concentration of kernel matrices with application to kernel spectral clustering

We study the concentration of random kernel matrices around their mean. We derive nonasymptotic exponential concentration inequalities for Lipschitz kernels assuming that the data points are independent draws from a class of multivariate distributions on $\mathbb{R}^d$, including the strongly log-concave distributions under affine transformations. A feature of our result is that the data points need not have identical distributions or have zero mean, which is key in certain applications such as clustering. For comparison, we also derive the companion result for the Euclidean (inner product) kernel under a slightly modified set of distributional assumptions, more precisely, a class of sub-Gaussian vectors. A notable difference between the two cases is that, in contrast to the Euclidean kernel, in the Lipschitz case, the concentration inequality does not depend on the mean of the underlying vectors. As an application of these inequalities, we derive a bound on the misclassification rate of a kernel spectral clustering (KSC) algorithm, under a perturbed nonparametric mixture model. We show an example where this bound establishes the high-dimensional consistency (as $d \to \infty$) of the KSC, when applied with a Gaussian kernel, to a signal consisting of nested nonlinear manifolds (e.g., spheres) plus noise.

On perfectness in Gaussian graphical models

Knowing when a graphical model is perfect to a distribution is essential in order to relate separation in the graph to conditional independence in the distribution, and this is particularly important when performing inference from data. When the model is perfect, there is a one-to-one correspondence between conditional independence statements in the distribution and separation statements in the graph. Previous work has shown that almost all models based on linear directed acyclic graphs as well as Gaussian chain graphs are perfect, the latter of which subsumes Gaussian graphical models (i.e., the undirected Gaussian models) as a special case. However, the complexity of chain graph models leads to a proof of this result which is indirect and mired by the complications of parameterizing this general class. In this paper, we directly approach the problem of perfectness for the Gaussian graphical models, and provide a new proof, via a more transparent parametrization, that almost all such models are perfect. Our approach is based on, and substantially extends, a construction of Ln\v{e}ni\v{c}ka and Mat\'u\v{s} showing the existence of a perfect Gaussian distribution for any graph.