Puoya Tabaghi

Chao Pan, Eli Chien, Puoya Tabaghi et al.

Many high-dimensional practical data sets have hierarchical structures induced by graphs or time series. Such data sets are hard to process in Euclidean spaces and one often seeks low-dimensional embeddings in other space forms to perform the required learning tasks. For hierarchical data, the space of choice is a hyperbolic space because it guarantees low-distortion embeddings for tree-like structures. The geometry of hyperbolic spaces has properties not encountered in Euclidean spaces that pose challenges when trying to rigorously analyze algorithmic solutions. We propose a unified framework for learning scalable and simple hyperbolic linear classifiers with provable performance guarantees. The gist of our approach is to focus on Poincaré ball models and formulate the classification problems using tangent space formalisms. Our results include a new hyperbolic perceptron algorithm as well as an efficient and highly accurate convex optimization setup for hyperbolic support vector machine classifiers. Furthermore, we adapt our approach to accommodate second-order perceptrons, where data is preprocessed based on second-order information (correlation) to accelerate convergence, and strategic perceptrons, where potentially manipulated data arrives in an online manner and decisions are made sequentially. The excellent performance of the Poincaré second-order and strategic perceptrons shows that the proposed framework can be extended to general machine learning problems in hyperbolic spaces. Our experimental results, pertaining to synthetic, single-cell RNA-seq expression measurements, CIFAR10, Fashion-MNIST and mini-ImageNet, establish that all algorithms provably converge and have complexity comparable to those of their Euclidean counterparts. Accompanying codes can be found at: https://github.com/thupchnsky/PoincareLinearClassification.

Puoya Tabaghi, Michael Khanzadeh, Yusu Wang et al.

Principal Component Analysis (PCA) is a workhorse of modern data science. While PCA assumes the data conforms to Euclidean geometry, for specific data types, such as hierarchical and cyclic data structures, other spaces are more appropriate. We study PCA in space forms; that is, those with constant curvatures. At a point on a Riemannian manifold, we can define a Riemannian affine subspace based on a set of tangent vectors. Finding the optimal low-dimensional affine subspace for given points in a space form amounts to dimensionality reduction. Our Space Form PCA (SFPCA) seeks the affine subspace that best represents a set of manifold-valued points with the minimum projection cost. We propose proper cost functions that enjoy two properties: (1) their optimal affine subspace is the solution to an eigenequation, and (2) optimal affine subspaces of different dimensions form a nested set. These properties provide advances over existing methods, which are mostly iterative algorithms with slow convergence and weaker theoretical guarantees. We evaluate the proposed SFPCA on real and simulated data in spherical and hyperbolic spaces. We show that it outperforms alternative methods in estimating true subspaces (in simulated data) with respect to convergence speed or accuracy, often both.

Samantha Chen, Puoya Tabaghi, Yusu Wang

Optimal transport provides a metric which quantifies the dissimilarity between probability measures. For measures supported in discrete metric spaces, finding the optimal transport distance has cubic time complexity in the size of the space. However, measures supported on trees admit a closed-form optimal transport that can be computed in linear time. In this paper, we aim to find an optimal tree structure for a given discrete metric space so that the tree-Wasserstein distance approximates the optimal transport distance in the original space. One of our key ideas is to cast the problem in ultrametric spaces. This helps us optimize over the space of ultrametric trees -- a mixed-discrete and continuous optimization problem -- via projected gradient decent over the space of ultrametric matrices. During optimization, we project the parameters to the ultrametric space via a hierarchical minimum spanning tree algorithm, equivalent to the closest projection to ultrametrics under the supremum norm. Experimental results on real datasets show that our approach outperforms previous approaches (e.g. Flowtree, Quadtree) in approximating optimal transport distances. Finally, experiments on synthetic data generated on ground truth trees show that our algorithm can accurately uncover the underlying trees.

Eli Chien, Puoya Tabaghi, Olgica Milenkovic

The problem of fitting distances by tree-metrics has received significant attention in the theoretical computer science and machine learning communities alike, due to many applications in natural language processing, phylogeny, cancer genomics and a myriad of problem areas that involve hierarchical clustering. Despite the existence of several provably exact algorithms for tree-metric fitting of data that inherently obeys tree-metric constraints, much less is known about how to best fit tree-metrics for data whose structure moderately (or substantially) differs from a tree. For such noisy data, most available algorithms perform poorly and often produce negative edge weights in representative trees. Furthermore, it is currently not known how to choose the most suitable approximation objective for noisy fitting. Our contributions are as follows. First, we propose a new approach to tree-metric denoising (HyperAid) in hyperbolic spaces which transforms the original data into data that is ``more'' tree-like, when evaluated in terms of Gromov's $δ$ hyperbolicity. Second, we perform an ablation study involving two choices for the approximation objective, $\ell_p$ norms and the Dasgupta loss. Third, we integrate HyperAid with schemes for enforcing nonnegative edge-weights. As a result, the HyperAid platform outperforms all other existing methods in the literature, including Neighbor Joining (NJ), TreeRep and T-REX, both on synthetic and real-world data. Synthetic data is represented by edge-augmented trees and shortest-distance metrics while the real-world datasets include Zoo, Iris, Glass, Segmentation and SpamBase; on these datasets, the average improvement with respect to NJ is $125.94\%$.

Puoya Tabaghi, Yusu Wang

A main object of our study is multiset functions -- that is, permutation-invariant functions over inputs of varying sizes. Deep Sets, proposed by \cite{zaheer2017deep}, provides a \emph{universal representation} for continuous multiset functions on scalars via a sum-decomposable model. Restricting the domain of the functions to finite multisets of $D$-dimensional vectors, Deep Sets also provides a \emph{universal approximation} that requires a latent space dimension of $O(N^D)$ -- where $N$ is an upper bound on the size of input multisets. In this paper, we strengthen this result by proving that universal representation is guaranteed for continuous and discontinuous multiset functions though a latent space dimension of $O(N^D)$. We then introduce \emph{identifiable} multisets for which we can uniquely label their elements using an identifier function, namely, finite-precision vectors are identifiable. Using our analysis on identifiable multisets, we prove that a sum-decomposable model for general continuous multiset functions only requires a latent dimension of $2DN$. We further show that both encoder and decoder functions of the model are continuous -- our main contribution to the existing work which lack such a guarantee. Also this provides a significant improvement over the aforementioned $O(N^D)$ bound which was derived for universal representation of continuous and discontinuous multiset functions. We then extend our results and provide special sum-decomposition structures to universally represent permutation-invariant tensor functions on identifiable tensors. These families of sum-decomposition models enables us to design deep network architectures and deploy them on a variety of learning tasks on sequences, images, and graphs.

Zhishang Luo, Truong Son Hy, Puoya Tabaghi et al.

The run-time for optimization tools used in chip design has grown with the complexity of designs to the point where it can take several days to go through one design cycle which has become a bottleneck. Designers want fast tools that can quickly give feedback on a design. Using the input and output data of the tools from past designs, one can attempt to build a machine learning model that predicts the outcome of a design in significantly shorter time than running the tool. The accuracy of such models is affected by the representation of the design data, which is usually a netlist that describes the elements of the digital circuit and how they are connected. Graph representations for the netlist together with graph neural networks have been investigated for such models. However, the characteristics of netlists pose several challenges for existing graph learning frameworks, due to the large number of nodes and the importance of long-range interactions between nodes. To address these challenges, we represent the netlist as a directed hypergraph and propose a Directional Equivariant Hypergraph Neural Network (DE-HNN) for the effective learning of (directed) hypergraphs. Theoretically, we show that our DE-HNN can universally approximate any node or hyperedge based function that satisfies certain permutation equivariant and invariant properties natural for directed hypergraphs. We compare the proposed DE-HNN with several State-of-the-art (SOTA) machine learning models for (hyper)graphs and netlists, and show that the DE-HNN significantly outperforms them in predicting the outcome of optimized place-and-route tools directly from the input netlists. Our source code and the netlists data used are publicly available at https://github.com/YusuLab/chips.git

Eli Chien, Chao Pan, Puoya Tabaghi et al.

Many high-dimensional and large-volume data sets of practical relevance have hierarchical structures induced by trees, graphs or time series. Such data sets are hard to process in Euclidean spaces and one often seeks low-dimensional embeddings in other space forms to perform required learning tasks. For hierarchical data, the space of choice is a hyperbolic space since it guarantees low-distortion embeddings for tree-like structures. Unfortunately, the geometry of hyperbolic spaces has properties not encountered in Euclidean spaces that pose challenges when trying to rigorously analyze algorithmic solutions. Here, for the first time, we establish a unified framework for learning scalable and simple hyperbolic linear classifiers with provable performance guarantees. The gist of our approach is to focus on Poincaré ball models and formulate the classification problems using tangent space formalisms. Our results include a new hyperbolic and second-order perceptron algorithm as well as an efficient and highly accurate convex optimization setup for hyperbolic support vector machine classifiers. All algorithms provably converge and are highly scalable as they have complexities comparable to those of their Euclidean counterparts. Their performance accuracies on synthetic data sets comprising millions of points, as well as on complex real-world data sets such as single-cell RNA-seq expression measurements, CIFAR10, Fashion-MNIST and mini-ImageNet.

Puoya Tabaghi, Chao Pan, Eli Chien et al.

Embedding methods for product spaces are powerful techniques for low-distortion and low-dimensional representation of complex data structures. Here, we address the new problem of linear classification in product space forms -- products of Euclidean, spherical, and hyperbolic spaces. First, we describe novel formulations for linear classifiers on a Riemannian manifold using geodesics and Riemannian metrics which generalize straight lines and inner products in vector spaces. Second, we prove that linear classifiers in $d$-dimensional space forms of any curvature have the same expressive power, i.e., they can shatter exactly $d+1$ points. Third, we formalize linear classifiers in product space forms, describe the first known perceptron and support vector machine classifiers for such spaces and establish rigorous convergence results for perceptrons. Moreover, we prove that the Vapnik-Chervonenkis dimension of linear classifiers in a product space form of dimension $d$ is \emph{at least} $d+1$. We support our theoretical findings with simulations on several datasets, including synthetic data, image data, and single-cell RNA sequencing (scRNA-seq) data. The results show that classification in low-dimensional product space forms for scRNA-seq data offers, on average, a performance improvement of $\sim15\%$ when compared to that in Euclidean spaces of the same dimension.

Puoya Tabaghi, Jianhao Peng, Olgica Milenkovic et al.

Many data analysis problems can be cast as distance geometry problems in \emph{space forms} -- Euclidean, spherical, or hyperbolic spaces. Often, absolute distance measurements are often unreliable or simply unavailable and only proxies to absolute distances in the form of similarities are available. Hence we ask the following: Given only \emph{comparisons} of similarities amongst a set of entities, what can be said about the geometry of the underlying space form? To study this question, we introduce the notions of the \textit{ordinal capacity} of a target space form and \emph{ordinal spread} of the similarity measurements. The latter is an indicator of complex patterns in the measurements, while the former quantifies the capacity of a space form to accommodate a set of measurements with a specific ordinal spread profile. We prove that the ordinal capacity of a space form is related to its dimension and the sign of its curvature. This leads to a lower bound on the Euclidean and spherical embedding dimension of what we term similarity graphs. More importantly, we show that the statistical behavior of the ordinal spread random variables defined on a similarity graph can be used to identify its underlying space form. We support our theoretical claims with experiments on weighted trees, single-cell RNA expression data and spherical cartographic measurements.

Puoya Tabaghi, Ivan Dokmanić

Hyperbolic space is a natural setting for mining and visualizing data with hierarchical structure. In order to compute a hyperbolic embedding from comparison or similarity information, one has to solve a hyperbolic distance geometry problem. In this paper, we propose a unified framework to compute hyperbolic embeddings from an arbitrary mix of noisy metric and non-metric data. Our algorithms are based on semidefinite programming and the notion of a hyperbolic distance matrix, in many ways parallel to its famous Euclidean counterpart. A central ingredient we put forward is a semidefinite characterization of the hyperbolic Gramian -- a matrix of Lorentzian inner products. This characterization allows us to formulate a semidefinite relaxation to efficiently compute hyperbolic embeddings in two stages: first, we complete and denoise the observed hyperbolic distance matrix; second, we propose a spectral factorization method to estimate the embedded points from the hyperbolic distance matrix. We show through numerical experiments how the flexibility to mix metric and non-metric constraints allows us to efficiently compute embeddings from arbitrary data.

Puoya Tabaghi, Maarten de Hoop, Ivan Dokmanić

We study the learnability of a class of compact operators known as Schatten--von Neumann operators. These operators between infinite-dimensional function spaces play a central role in a variety of applications in learning theory and inverse problems. We address the question of sample complexity of learning Schatten-von Neumann operators and provide an upper bound on the number of measurements required for the empirical risk minimizer to generalize with arbitrary precision and probability, as a function of class parameter $p$. Our results give generalization guarantees for regression of infinite-dimensional signals from infinite-dimensional data. Next, we adapt the representer theorem of Abernethy \emph{et al.} to show that empirical risk minimization over an a priori infinite-dimensional, non-compact set, can be converted to a convex finite dimensional optimization problem over a compact set. In summary, the class of $p$-Schatten--von Neumann operators is probably approximately correct (PAC)-learnable via a practical convex program for any $p < \infty$.