arXiv subjects

Melanie Weber

Publications and source records attributed to Melanie Weber.

At least 55 records · Page 3Linked to original sources

arXiv2024

Mitigating Over-Smoothing and Over-Squashing using Augmentations of Forman-Ricci Curvature

While Graph Neural Networks (GNNs) have been successfully leveraged for learning on graph-structured data across domains, several potential pitfalls have been described recently. Those include the inability to accurately leverage information encoded in long-range connections (over-squashing), as well as difficulties distinguishing the learned representations of nearby nodes with growing network depth (over-smoothing). An effective way to characterize both effects is discrete curvature: Long-range connections that underlie over-squashing effects have low curvature, whereas edges that contribute to over-smoothing have high curvature. This observation has given rise to rewiring techniques, which add or remove edges to mitigate over-smoothing and over-squashing. Several rewiring approaches utilizing graph characteristics, such as curvature or the spectrum of the graph Laplacian, have been proposed. However, existing methods, especially those based on curvature, often require expensive subroutines and careful hyperparameter tuning, which limits their applicability to large-scale graphs. Here we propose a rewiring technique based on Augmented Forman-Ricci curvature (AFRC), a scalable curvature notation, which can be computed in linear time. We prove that AFRC effectively characterizes over-smoothing and over-squashing effects in message-passing GNNs. We complement our theoretical results with experiments, which demonstrate that the proposed approach achieves state-of-the-art performance while significantly reducing the computational cost in comparison with other methods. Utilizing fundamental properties of discrete curvature, we propose effective heuristics for hyperparameters in curvature-based rewiring, which avoids expensive hyperparameter searches, further improving the scalability of the proposed approach.

cs.LG↗

arXiv2024

Effective Structural Encodings via Local Curvature Profiles

Structural and Positional Encodings can significantly improve the performance of Graph Neural Networks in downstream tasks. Recent literature has begun to systematically investigate differences in the structural properties that these approaches encode, as well as performance trade-offs between them. However, the question of which structural properties yield the most effective encoding remains open. In this paper, we investigate this question from a geometric perspective. We propose a novel structural encoding based on discrete Ricci curvature (Local Curvature Profiles, short LCP) and show that it significantly outperforms existing encoding approaches. We further show that combining local structural encodings, such as LCP, with global positional encodings improves downstream performance, suggesting that they capture complementary geometric information. Finally, we compare different encoding types with (curvature-based) rewiring techniques. Rewiring has recently received a surge of interest due to its ability to improve the performance of Graph Neural Networks by mitigating over-smoothing and over-squashing effects. Our results suggest that utilizing curvature information for structural encodings delivers significantly larger performance increases than rewiring.

cs.LG↗

arXiv2024

On the hardness of learning under symmetries

We study the problem of learning equivariant neural networks via gradient descent. The incorporation of known symmetries ("equivariance") into neural nets has empirically improved the performance of learning pipelines, in domains ranging from biology to computer vision. However, a rich yet separate line of learning theoretic research has demonstrated that actually learning shallow, fully-connected (i.e. non-symmetric) networks has exponential complexity in the correlational statistical query (CSQ) model, a framework encompassing gradient descent. In this work, we ask: are known problem symmetries sufficient to alleviate the fundamental hardness of learning neural nets with gradient descent? We answer this question in the negative. In particular, we give lower bounds for shallow graph neural networks, convolutional networks, invariant polynomials, and frame-averaged networks for permutation subgroups, which all scale either superpolynomially or exponentially in the relevant input dimension. Therefore, in spite of the significant inductive bias imparted via symmetry, actually learning the complete classes of functions represented by equivariant neural networks via gradient descent remains hard.

cs.LG↗

arXiv2023

Curvature-based Clustering on Graphs

Unsupervised node clustering (or community detection) is a classical graph learning task. In this paper, we study algorithms, which exploit the geometry of the graph to identify densely connected substructures, which form clusters or communities. Our method implements discrete Ricci curvatures and their associated geometric flows, under which the edge weights of the graph evolve to reveal its community structure. We consider several discrete curvature notions and analyze the utility of the resulting algorithms. In contrast to prior literature, we study not only single-membership community detection, where each node belongs to exactly one community, but also mixed-membership community detection, where communities may overlap. For the latter, we argue that it is beneficial to perform community detection on the line graph, i.e., the graph's dual. We provide both theoretical and empirical evidence for the utility of our curvature-based clustering algorithms. In addition, we give several results on the relationship between the curvature of a graph and that of its dual, which enable the efficient implementation of our proposed mixed-membership community detection approach and which may be of independent interest for curvature-based network analysis.

cs.SI↗

arXiv2022

LegalRelectra: Mixed-domain Language Modeling for Long-range Legal Text Comprehension

The application of Natural Language Processing (NLP) to specialized domains, such as the law, has recently received a surge of interest. As many legal services rely on processing and analyzing large collections of documents, automating such tasks with NLP tools emerges as a key challenge. Many popular language models, such as BERT or RoBERTa, are general-purpose models, which have limitations on processing specialized legal terminology and syntax. In addition, legal documents may contain specialized vocabulary from other domains, such as medical terminology in personal injury text. Here, we propose LegalRelectra, a legal-domain language model that is trained on mixed-domain legal and medical corpora. We show that our model improves over general-domain and single-domain medical and legal language models when processing mixed-domain (personal injury) text. Our training architecture implements the Electra framework, but utilizes Reformer instead of BERT for its generator and discriminator. We show that this improves the model's performance on processing long passages and results in better long-range text comprehension.

cs.CL↗

arXiv2022

Robust Large-Margin Learning in Hyperbolic Space

Recently, there has been a surge of interest in representation learning in hyperbolic spaces, driven by their ability to represent hierarchical data with significantly fewer dimensions than standard Euclidean spaces. However, the viability and benefits of hyperbolic spaces for downstream machine learning tasks have received less attention. In this paper, we present, to our knowledge, the first theoretical guarantees for learning a classifier in hyperbolic rather than Euclidean space. Specifically, we consider the problem of learning a large-margin classifier for data possessing a hierarchical structure. We provide an algorithm to efficiently learn a large-margin hyperplane, relying on the careful injection of adversarial examples. Finally, we prove that for hierarchical data that embeds well into hyperbolic space, the low embedding dimension ensures superior guarantees when learning the classifier directly in hyperbolic space.

cs.LG↗

arXiv2022

On a class of geodesically convex optimization problems solved via Euclidean MM methods

We study geodesically convex (g-convex) problems that can be written as a difference of Euclidean convex functions. This structure arises in several optimization problems in statistics and machine learning, e.g., for matrix scaling, M-estimators for covariances, and Brascamp-Lieb inequalities. Our work offers efficient algorithms that on the one hand exploit g-convexity to ensure global optimality along with guarantees on iteration complexity. On the other hand, the split structure permits us to develop Euclidean Majorization-Minorization algorithms that help us bypass the need to compute expensive Riemannian operations such as exponential maps and parallel transport. We illustrate our results by specializing them to a few concrete optimization problems that have been previously studied in the machine learning literature. Ultimately, we hope our work helps motivate the broader search for mixed Euclidean-Riemannian optimization algorithms

math.OC↗

arXiv2021

Riemannian Optimization via Frank-Wolfe Methods

We study projection-free methods for constrained Riemannian optimization. In particular, we propose the Riemannian Frank-Wolfe (RFW) method. We analyze non-asymptotic convergence rates of RFW to an optimum for (geodesically) convex problems, and to a critical point for nonconvex objectives. We also present a practical setting under which RFW can attain a linear convergence rate. As a concrete example, we specialize RFW to the manifold of positive definite matrices and apply it to two tasks: (i) computing the matrix geometric mean (Riemannian centroid); and (ii) computing the Bures-Wasserstein barycenter. Both tasks involve geodesically convex interval constraints, for which we show that the Riemannian "linear" oracle required by RFW admits a closed-form solution; this result may be of independent interest. We further specialize RFW to the special orthogonal group and show that here too, the Riemannian "linear" oracle can be solved in closed form. Here, we describe an application to the synchronization of data matrices (Procrustes problem). We complement our theoretical results with an empirical comparison of RFW against state-of-the-art Riemannian optimization methods and observe that RFW performs competitively on the task of computing Riemannian centroids.

math.OC↗

arXiv2021

Identifying biases in legal data: An algorithmic fairness perspective

The need to address representation biases and sentencing disparities in legal case data has long been recognized. Here, we study the problem of identifying and measuring biases in large-scale legal case data from an algorithmic fairness perspective. Our approach utilizes two regression models: A baseline that represents the decisions of a "typical" judge as given by the data and a "fair" judge that applies one of three fairness concepts. Comparing the decisions of the "typical" judge and the "fair" judge allows for quantifying biases across demographic groups, as we demonstrate in four case studies on criminal data from Cook County (Illinois).

cs.CY↗

arXiv2021

Controlling Unknown Linear Dynamics with Bounded Multiplicative Regret

We consider a simple control problem in which the underlying dynamics depend on a parameter that is unknown and must be learned. We exhibit a control strategy which is optimal to within a multiplicative constant. While most authors find strategies which are successful as the time horizon tends to infinity, our strategy achieves lowest expected cost up to a constant factor for a fixed time horizon.

math.OC↗

arXiv2021

Projection-free nonconvex stochastic optimization on Riemannian manifolds

We study stochastic projection-free methods for constrained optimization of smooth functions on Riemannian manifolds, i.e., with additional constraints beyond the parameter domain being a manifold. Specifically, we introduce stochastic Riemannian Frank-Wolfe methods for nonconvex and geodesically convex problems. We present algorithms for both purely stochastic optimization and finite-sum problems. For the latter, we develop variance-reduced methods, including a Riemannian adaptation of the recently proposed Spider technique. For all settings, we recover convergence rates that are comparable to the best-known rates for their Euclidean counterparts. Finally, we discuss applications to two classic tasks: The computation of the Karcher mean of positive definite matrices and Wasserstein barycenters for multivariate normal distributions. For both tasks, stochastic Fw methods yield state-of-the-art empirical performance.

math.OC↗

arXiv2020

Optimal control with learning on the fly: a toy problem

We exhibit optimal control strategies for a simple toy problem in which the underlying dynamics depend on a parameter that is initially unknown and must be learned. We consider a cost function posed over a finite time interval, in contrast to much previous work that considers asymptotics as the time horizon tends to infinity. We study several different versions of the problem, including Bayesian control, in which we assume a prior distribution on the unknown parameter; and "agnostic" control, in which we assume nothing about the unknown parameter. For the agnostic problems, we compare our performance with that of an opponent who knows the value of the parameter. This comparison gives rise to several notions of "regret," and we obtain strategies that minimize the "worst-case regret" arising from the most unfavorable choice of the unknown parameter. In every case, the optimal strategy turns out to be a Bayesian strategy or a limit of Bayesian strategies.

math.OC↗

arXiv2019

Neighborhood Growth Determines Geometric Priors for Relational Representation Learning

The problem of identifying geometric structure in heterogeneous, high-dimensional data is a cornerstone of representation learning. While there exists a large body of literature on the embeddability of canonical graphs, such as lattices or trees, the heterogeneity of the relational data typically encountered in practice limits the applicability of these classical methods. In this paper, we propose a combinatorial approach to evaluating embeddability, i.e., to decide whether a data set is best represented in Euclidean, Hyperbolic or Spherical space. Our method analyzes nearest-neighbor structures and local neighborhood growth rates to identify the geometric priors of suitable embedding spaces. For canonical graphs, the algorithm's prediction provably matches classical results. As for large, heterogeneous graphs, we introduce an efficiently computable statistic that approximates the algorithm's decision rule. We validate our method over a range of benchmark data sets and compare with recently published optimization-based embeddability methods.

cs.LG↗

arXiv2019

Curvature-based Methods for Brain Network Analysis

The human brain forms functional networks on all spatial scales. Modern fMRI scanners allow to resolve functional brain data in high resolutions, allowing to study large-scale networks that relate to cognitive processes. The analysis of such networks forms a cornerstone of experimental neuroscience. Due to the immense size and complexity of the underlying data sets, efficient evaluation and visualization remain a challenge for data analysis. In this study, we combine recent advances in experimental neuroscience and applied mathematics to perform a mathematical characterization of complex networks constructed from fMRI data. We use task-related edge densities [Lohmann et al., 2016] for constructing networks of task-related changes in synchronization. This construction captures the dynamic formation of patterns of neuronal activity and therefore represents efficiently the connectivity structure between brain regions. Using geometric methods that utilize Forman-Ricci curvature as an edge-based network characteristic [Weber et al., 2017], we perform a mathematical analysis of the resulting complex networks. We motivate the use of edge-based characteristics to evaluate the network structure with geometric methods. The geometric features could aid in understanding the connectivity and interplay of brain regions in cognitive processes.

q-bio.NC↗

arXiv2019

The Oracle of DLphi

We present a novel technique based on deep learning and set theory which yields exceptional classification and prediction results. Having access to a sufficiently large amount of labelled training data, our methodology is capable of predicting the labels of the test data almost always even if the training data is entirely unrelated to the test data. In other words, we prove in a specific setting that as long as one has access to enough data points, the quality of the data is irrelevant.

cs.LG↗

arXiv2018

Forman's Ricci curvature - From networks to hypernetworks

Networks and their higher order generalizations, such as hypernetworks or multiplex networks are ever more popular models in the applied sciences. However, methods developed for the study of their structural properties go little beyond the common name and the heavy reliance of combinatorial tools. We show that, in fact, a geometric unifying approach is possible, by viewing them as polyhedral complexes endowed with a simple, yet, the powerful notion of curvature - the Forman Ricci curvature. We systematically explore some aspects related to the modeling of weighted and directed hypernetworks and present expressive and natural choices involved in their definitions. A benefit of this approach is a simple method of structure-preserving embedding of hypernetworks in Euclidean N-space. Furthermore, we introduce a simple and efficient manner of computing the well established Ollivier-Ricci curvature of a hypernetwork.

cs.DM↗

arXiv2018

Heuristic Framework for Multi-Scale Testing of the Multi-Manifold Hypothesis

When analyzing empirical data, we often find that global linear models overestimate the number of parameters required. In such cases, we may ask whether the data lies on or near a manifold or a set of manifolds (a so-called multi-manifold) of lower dimension than the ambient space. This question can be phrased as a (multi-) manifold hypothesis. The identification of such intrinsic multiscale features is a cornerstone of data analysis and representation and has given rise to a large body of work on manifold learning. In this work, we review key results on multi-scale data analysis and intrinsic dimension followed by the introduction of a heuristic, multiscale framework for testing the multi-manifold hypothesis. Our method implements a hypothesis test on a set of spline-interpolated manifolds constructed from variance-based intrinsic dimensions. The workflow is suitable for empirical data analysis as we demonstrate on two use cases.

stat.ML↗

arXiv2016

Characterizing Complex Networks with Forman-Ricci Curvature and Associated Geometric Flows

We introduce Forman-Ricci curvature and its corresponding flow as characteristics for complex networks attempting to extend the common approach of node-based network analysis by edge-based characteristics. Following a theoretical introduction and mathematical motivation, we apply the proposed network-analytic methods to static and dynamic complex networks and compare the results with established node-based characteristics. Our work suggests a number of applications for data mining, including denoising and clustering of experimental data, as well as extrapolation of network evolution.

cs.DM↗