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Juan Cervino

Publications and source records attributed to Juan Cervino.

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Graph Learning Should Move Beyond Restrictive Views of Spectral and Message-Passing GNNs

Graph neural networks (GNNs) are commonly divided into message-passing neural networks (MPNNs) and spectral GNNs, reflecting two largely separate research traditions in machine learning and signal processing. While MPNNs have a precise definition, there is no widely accepted criterion for what makes a mapping a spectral GNN. Most existing work restricts spectral GNNs to layered architectures based on linear spectral filters. Under this restriction, we show that spectral and spatial GNNs have largely equivalent expressive power. To promote progress in the field, we propose a precise definition of spectral GNNs based on eigenbasis symmetries, in contrast to the definition of MPNNs via neighborhood permutation symmetries. We further argue that the two perspectives offer complementary strengths. MPNNs provide a natural language for discrete structure and expressivity analysis through tools from logic and graph isomorphism, while the spectral perspective offers principled tools for understanding smoothing, bottlenecks, stability, and community structure. Overall, we argue that progress in graph learning will be accelerated by clarifying the similarities and differences between these perspectives and by moving toward a unified theoretical framework.

cs.LG

A Manifold Perspective on the Statistical Generalization of Graph Neural Networks

Graph Neural Networks (GNNs) extend convolutional neural networks to operate on graphs. Despite their impressive performances in various graph learning tasks, the theoretical understanding of their generalization capability is still lacking. Previous GNN generalization bounds ignore the underlying graph structures, often leading to bounds that increase with the number of nodes -- a behavior contrary to the one experienced in practice. In this paper, we take a manifold perspective to establish the statistical generalization theory of GNNs on graphs sampled from a manifold in the spectral domain. As demonstrated empirically, we prove that the generalization bounds of GNNs decrease linearly with the size of the graphs in the logarithmic scale, and increase linearly with the spectral continuity constants of the filter functions. Notably, our theory explains both node-level and graph-level tasks. Our result has two implications: i) guaranteeing the generalization of GNNs to unseen data over manifolds; ii) providing insights into the practical design of GNNs, i.e., restrictions on the discriminability of GNNs are necessary to obtain a better generalization performance. We demonstrate our generalization bounds of GNNs using synthetic and multiple real-world datasets.

cs.LG

Generalization of Geometric Graph Neural Networks with Lipschitz Loss Functions

In this paper, we study the generalization capabilities of geometric graph neural networks (GNNs). We consider GNNs over a geometric graph constructed from a finite set of randomly sampled points over an embedded manifold with topological information captured. We prove a generalization gap between the optimal empirical risk and the optimal statistical risk of this GNN, which decreases with the number of sampled points from the manifold and increases with the dimension of the underlying manifold. This generalization gap ensures that the GNN trained on a graph on a set of sampled points can be utilized to process other unseen graphs constructed from the same underlying manifold. The most important observation is that the generalization capability can be realized with one large graph instead of being limited to the size of the graph as in previous results. The generalization gap is derived based on the non-asymptotic convergence result of a GNN on the sampled graph to the underlying manifold neural networks (MNNs). We verify this theoretical result with experiments on multiple real-world datasets.

eess.SP

Constrained Learning for Decentralized Multi-Objective Coverage Control

The multi-objective coverage control problem requires a robot swarm to collaboratively provide sensor coverage to multiple heterogeneous importance density fields IDFs simultaneously. We pose this as an optimization problem with constraints and study two different formulations: (1) Fair coverage, where we minimize the maximum coverage cost for any field, promoting equitable resource distribution among all fields; and (2) Constrained coverage, where each field must be covered below a certain cost threshold, ensuring that critical areas receive adequate coverage according to predefined importance levels. We study the decentralized setting where robots have limited communication and local sensing capabilities, making the system more realistic, scalable, and robust. Given the complexity, we propose a novel decentralized constrained learning approach that combines primal-dual optimization with a Learnable Perception-Action-Communication (LPAC) neural network architecture. We show that the Lagrangian of the dual problem can be reformulated as a linear combination of the IDFs, enabling the LPAC policy to serve as a primal solver. We empirically demonstrate that the proposed method (i) significantly outperforms state-of-the-art decentralized controllers by 30% on average in terms of coverage cost, (ii) transfers well to larger environments with more robots, and (iii) scalable in the number of IDFs and robots in the swarm.

eess.SY

Generalization of Graph Neural Networks is Robust to Model Mismatch

Graph neural networks (GNNs) have demonstrated their effectiveness in various tasks supported by their generalization capabilities. However, the current analysis of GNN generalization relies on the assumption that training and testing data are independent and identically distributed (i.i.d). This imposes limitations on the cases where a model mismatch exists when generating testing data. In this paper, we examine GNNs that operate on geometric graphs generated from manifold models, explicitly focusing on scenarios where there is a mismatch between manifold models generating training and testing data. Our analysis reveals the robustness of the GNN generalization in the presence of such model mismatch. This indicates that GNNs trained on graphs generated from a manifold can still generalize well to unseen nodes and graphs generated from a mismatched manifold. We attribute this mismatch to both node feature perturbations and edge perturbations within the generated graph. Our findings indicate that the generalization gap decreases as the number of nodes grows in the training graph while increasing with larger manifold dimension as well as larger mismatch. Importantly, we observe a trade-off between the generalization of GNNs and the capability to discriminate high-frequency components when facing a model mismatch. The most important practical consequence of this analysis is to shed light on the filter design of generalizable GNNs robust to model mismatch. We verify our theoretical findings with experiments on multiple real-world datasets.

cs.LG

Distributed Training of Large Graph Neural Networks with Variable Communication Rates

Training Graph Neural Networks (GNNs) on large graphs presents unique challenges due to the large memory and computing requirements. Distributed GNN training, where the graph is partitioned across multiple machines, is a common approach to training GNNs on large graphs. However, as the graph cannot generally be decomposed into small non-interacting components, data communication between the training machines quickly limits training speeds. Compressing the communicated node activations by a fixed amount improves the training speeds, but lowers the accuracy of the trained GNN. In this paper, we introduce a variable compression scheme for reducing the communication volume in distributed GNN training without compromising the accuracy of the learned model. Based on our theoretical analysis, we derive a variable compression method that converges to a solution equivalent to the full communication case, for all graph partitioning schemes. Our empirical results show that our method attains a comparable performance to the one obtained with full communication. We outperform full communication at any fixed compression ratio for any communication budget.

cs.LG

Intrinsically motivated graph exploration using network theories of human curiosity

Intrinsically motivated exploration has proven useful for reinforcement learning, even without additional extrinsic rewards. When the environment is naturally represented as a graph, how to guide exploration best remains an open question. In this work, we propose a novel approach for exploring graph-structured data motivated by two theories of human curiosity: the information gap theory and the compression progress theory. The theories view curiosity as an intrinsic motivation to optimize for topological features of subgraphs induced by nodes visited in the environment. We use these proposed features as rewards for graph neural-network-based reinforcement learning. On multiple classes of synthetically generated graphs, we find that trained agents generalize to longer exploratory walks and larger environments than are seen during training. Our method computes more efficiently than the greedy evaluation of the relevant topological properties. The proposed intrinsic motivations bear particular relevance for recommender systems. We demonstrate that next-node recommendations considering curiosity are more predictive of human choices than PageRank centrality in several real-world graph environments.

cs.LG

FastSample: Accelerating Distributed Graph Neural Network Training for Billion-Scale Graphs

Training Graph Neural Networks(GNNs) on a large monolithic graph presents unique challenges as the graph cannot fit within a single machine and it cannot be decomposed into smaller disconnected components. Distributed sampling-based training distributes the graph across multiple machines and trains the GNN on small parts of the graph that are randomly sampled every training iteration. We show that in a distributed environment, the sampling overhead is a significant component of the training time for large-scale graphs. We propose FastSample which is composed of two synergistic techniques that greatly reduce the distributed sampling time: 1)a new graph partitioning method that eliminates most of the communication rounds in distributed sampling , 2)a novel highly optimized sampling kernel that reduces memory movement during sampling. We test FastSample on large-scale graph benchmarks and show that FastSample speeds up distributed sampling-based GNN training by up to 2x with no loss in accuracy.

cs.DC

Learning Globally Smooth Functions on Manifolds

Smoothness and low dimensional structures play central roles in improving generalization and stability in learning and statistics. This work combines techniques from semi-infinite constrained learning and manifold regularization to learn representations that are globally smooth on a manifold. To do so, it shows that under typical conditions the problem of learning a Lipschitz continuous function on a manifold is equivalent to a dynamically weighted manifold regularization problem. This observation leads to a practical algorithm based on a weighted Laplacian penalty whose weights are adapted using stochastic gradient techniques. It is shown that under mild conditions, this method estimates the Lipschitz constant of the solution, learning a globally smooth solution as a byproduct. Experiments on real world data illustrate the advantages of the proposed method relative to existing alternatives.

cs.LG

Training Graph Neural Networks on Growing Stochastic Graphs

Graph Neural Networks (GNNs) rely on graph convolutions to exploit meaningful patterns in networked data. Based on matrix multiplications, convolutions incur in high computational costs leading to scalability limitations in practice. To overcome these limitations, proposed methods rely on training GNNs in smaller number of nodes, and then transferring the GNN to larger graphs. Even though these methods are able to bound the difference between the output of the GNN with different number of nodes, they do not provide guarantees against the optimal GNN on the very large graph. In this paper, we propose to learn GNNs on very large graphs by leveraging the limit object of a sequence of growing graphs, the graphon. We propose to grow the size of the graph as we train, and we show that our proposed methodology -- learning by transference -- converges to a neighborhood of a first order stationary point on the graphon data. A numerical experiment validates our proposed approach.

cs.LG

Multi-task Bias-Variance Trade-off Through Functional Constraints

Multi-task learning aims to acquire a set of functions, either regressors or classifiers, that perform well for diverse tasks. At its core, the idea behind multi-task learning is to exploit the intrinsic similarity across data sources to aid in the learning process for each individual domain. In this paper we draw intuition from the two extreme learning scenarios -- a single function for all tasks, and a task-specific function that ignores the other tasks dependencies -- to propose a bias-variance trade-off. To control the relationship between the variance (given by the number of i.i.d. samples), and the bias (coming from data from other task), we introduce a constrained learning formulation that enforces domain specific solutions to be close to a central function. This problem is solved in the dual domain, for which we propose a stochastic primal-dual algorithm. Experimental results for a multi-domain classification problem with real data show that the proposed procedure outperforms both the task specific, as well as the single classifiers.

cs.LG

Federated Representation Learning via Maximal Coding Rate Reduction

We propose a federated methodology to learn low-dimensional representations from a dataset that is distributed among several clients. In particular, we move away from the commonly-used cross-entropy loss in federated learning, and seek to learn shared low-dimensional representations of the data in a decentralized manner via the principle of maximal coding rate reduction (MCR2). Our proposed method, which we refer to as FLOW, utilizes MCR2 as the objective of choice, hence resulting in representations that are both between-class discriminative and within-class compressible. We theoretically show that our distributed algorithm achieves a first-order stationary point. Moreover, we demonstrate, via numerical experiments, the utility of the learned low-dimensional representations.

cs.LG

Learning by Transference: Training Graph Neural Networks on Growing Graphs

Graph neural networks (GNNs) use graph convolutions to exploit network invariances and learn meaningful feature representations from network data. However, on large-scale graphs convolutions incur in high computational cost, leading to scalability limitations. Leveraging the graphon -- the limit object of a graph -- in this paper we consider the problem of learning a graphon neural network (WNN) -- the limit object of a GNN -- by training GNNs on graphs sampled from the graphon. Under smoothness conditions, we show that: (i) the expected distance between the learning steps on the GNN and on the WNN decreases asymptotically with the size of the graph, and (ii) when training on a sequence of growing graphs, gradient descent follows the learning direction of the WNN. Inspired by these results, we propose a novel algorithm to learn GNNs on large-scale graphs that, starting from a moderate number of nodes, successively increases the size of the graph during training. This algorithm is further benchmarked on a decentralized control problem, where it retains comparable performance to its large-scale counterpart at a reduced computational cost.

cs.LG

Training Stable Graph Neural Networks Through Constrained Learning

Graph Neural Networks (GNN) rely on graph convolutions to learn features from network data. GNNs are stable to different types of perturbations of the underlying graph, a property that they inherit from graph filters. In this paper we leverage the stability property of GNNs as a typing point in order to seek for representations that are stable within a distribution. We propose a novel constrained learning approach by imposing a constraint on the stability condition of the GNN within a perturbation of choice. We showcase our framework in real world data, corroborating that we are able to obtain more stable representations while not compromising the overall accuracy of the predictor.

cs.LG

Multi-task Supervised Learning via Cross-learning

In this paper we consider a problem known as multi-task learning, consisting of fitting a set of classifier or regression functions intended for solving different tasks. In our novel formulation, we couple the parameters of these functions, so that they learn in their task specific domains while staying close to each other. This facilitates cross-fertilization in which data collected across different domains help improving the learning performance at each other task. First, we present a simplified case in which the goal is to estimate the means of two Gaussian variables, for the purpose of gaining some insights on the advantage of the proposed cross-learning strategy. Then we provide a stochastic projected gradient algorithm to perform cross-learning over a generic loss function. If the number of parameters is large, then the projection step becomes computationally expensive. To avoid this situation, we derive a primal-dual algorithm that exploits the structure of the dual problem, achieving a formulation whose complexity only depends on the number of tasks. Preliminary numerical experiments for image classification by neural networks trained on a dataset divided in different domains corroborate that the cross-learned function outperforms both the task-specific and the consensus approaches.

cs.LG

Parameter Critic: a Model Free Variance Reduction Method Through Imperishable Samples

We consider the problem of finding a policy that maximizes an expected reward throughout the trajectory of an agent that interacts with an unknown environment. Frequently denoted Reinforcement Learning, this framework suffers from the need of large amount of samples in each step of the learning process. To this end, we introduce parameter critic, a formulation that allows samples to keep their validity even when the parameters of the policy change. In particular, we propose the use of a function approximator to directly learn the relationship between the parameters and the expected cumulative reward. Through convergence analysis, we demonstrate the parameter critic outperforms gradient-free parameter space exploration techniques as it is robust to noise. Empirically, we show that our method solves the cartpole problem which corroborates our claim as the agent can successfully learn an optimal policy while learning the relationship between the parameters and the cumulative reward.

eess.SY

Multi-task Reinforcement Learning in Reproducing Kernel Hilbert Spaces via Cross-learning

Reinforcement learning (RL) is a framework to optimize a control policy using rewards that are revealed by the system as a response to a control action. In its standard form, RL involves a single agent that uses its policy to accomplish a specific task. These methods require large amounts of reward samples to achieve good performance, and may not generalize well when the task is modified, even if the new task is related. In this paper we are interested in a collaborative scheme in which multiple agents with different tasks optimize their policies jointly. To this end, we introduce cross-learning, in which agents tackling related tasks have their policies constrained to be close to one another. Two properties make our new approach attractive: (i) it produces a multi-task central policy that can be used as a starting point to adapt quickly to one of the tasks trained for, in a situation when the agent does not know which task is currently facing, and (ii) as in meta-learning, it adapts to environments related but different to those seen during training. We focus on continuous policies belonging to reproducing kernel Hilbert spaces for which we bound the distance between the task-specific policies and the cross-learned policy. To solve the resulting optimization problem, we resort to a projected policy gradient algorithm and prove that it converges to a near-optimal solution with high probability. We evaluate our methodology with a navigation example in which agents can move through environments with obstacles of multiple shapes and avoid obstacles not trained for.

eess.SY