laplacian
Continuous Simplicial Neural Networks
Simplicial complexes provide a powerful framework for modeling higher-order interactions in structured data, making them particularly suitable for applications such as trajectory prediction and mesh processing. However, existing simplicial neural networks (SNNs), whether convolutional or attention-based, rely primarily on discrete filtering techniques, which can be restrictive. In contrast, partial differential equations (PDEs) on simplicial complexes offer a principled approach to capture continuous dynamics in such structures. In this work, we introduce continuous simplicial neural network (COSIMO), a novel SNN architecture derived from PDEs on simplicial complexes. We provide theoretical and experimental justifications of COSIMO's stability under simplicial perturbations. Furthermore, we investigate the over-smoothing phenomenon--a common issue in geometric deep learning--demonstrating that COSIMO offers better control over this effect than discrete SNNs. Our experiments on real-world datasets demonstrate that COSIMO achieves competitive performance compared to state-of-the-art SNNs in complex and noisy environments.
Novel Exploration via Orthogonality
Efficient exploration remains one of the most important open problems in reinforcement learning. Discovering novel states or transitions requires policies that efficiently direct the agent away from the regions of the state space that are already well explored. We introduce Novel Exploration via Orthogonality (NEO), an approach that automatically uncovers not only which regions of the environment are novel but also how to reach them by leveraging Laplacian representations. NEO uses the eigenvectors of a modified graph Laplacian to induce gradient flows from states that are frequently visited (less novel) to states that are seldom visited (more novel). We show that NEO's modified Laplacian yields eigenvectors whose extreme values align with the most novel regions of the state space. We provide bounds for the eigenvalues of the modified Laplacian; and we show that the smoothest eigenvectors with real eigenvalues below certain thresholds provide guaranteed gradients to novel states for both undirected and directed graphs. In an empirical evaluation in online, incremental settings, NEO outperformed related state-of-theart approaches, including eigen-options and cover options, in a large collection of undirected and directed environments with varying connectivity structures.
Subgraph Federated Learning via Spectral Methods
We consider the problem of federated learning (FL) with graph-structured data distributed across multiple clients. In particular, we address the prevalent scenario of interconnected subgraphs, where interconnections between clients significantly influence the learning process. Existing approaches suffer from critical limitations, either requiring the exchange of sensitive node embeddings, thereby posing privacy risks, or relying on computationally-intensive steps, which hinders scalability. To tackle these challenges, we propose FEDLAP, a novel framework that leverages global structure information via Laplacian smoothing in the spectral domain to effectively capture inter-node dependencies while ensuring privacy and scalability. We provide a formal analysis of the privacy of FEDLAP, demonstrating that it preserves privacy. Notably, FEDLAP is the first subgraph FL scheme with strong privacy guarantees. Extensive experiments on benchmark datasets demonstrate that FEDLAP achieves competitive or superior utility compared to existing techniques.
Taxonomy of reduction matrices for Graph Coarsening
Graph coarsening aims to diminish the size of a graph to lighten its memory footprint, and has numerous applications in graph signal processing and machine learning. It is usually defined using a reduction matrix and a lifting matrix, which, respectively, allows to project a graph signal from the original graph to the coarsened one and back. This results in a loss of information measured by the so-called Restricted Spectral Approximation (RSA). Most coarsening frameworks impose a fixed relationship between the reduction and lifting matrices, generally as pseudoinverses of each other, and seek to define a coarsening that minimizes the RSA. In this paper, we remark that the roles of these two matrices are not entirely symmetric: indeed, putting constraints on the lifting matrix alone ensures the existence of important objects such as the coarsened graph's adjacency matrix or Laplacian.
Structure-Aware Spectral Sparsification via Uniform Edge Sampling
Spectral clustering is a fundamental method for graph partitioning, but its reliance on eigenvector computation limits scalability to massive graphs. Classical sparsification methods preserve spectral properties by sampling edges proportionally to their effective resistances, but require expensive preprocessing to estimate these resistances. We study whether uniform edge sampling--a simple, structure-agnostic strategy--can suffice for spectral clustering. Our main result shows that for graphs admitting a well-separated k-clustering, characterized by a large structure ratio ฮฅ(k) = ฮปk+1/ฯG(k), uniform sampling preserves the spectral subspace used for clustering. Specifically, we prove that uniformly sampling O(ฮณ2nlogn/ฮต2) edges, where ฮณ is the Laplacian condition number, yields a sparsifier whose top (n k)dimensional eigenspace is approximately orthogonal to the cluster indicators.
State Size Independent Statistical Error Bound for Discrete Diffusion Models
Diffusion models operating in discrete state spaces have emerged as powerful approaches, demonstrating remarkable efficacy across diverse domains, including reasoning tasks and molecular design. Despite their promising applications, the theoretical foundations of these models remain substantially underdeveloped, with the existing literature predominantly focusing on continuous-state diffusion models. A critical gap persists in the theoretical understanding of discrete diffusion modeling: the absence of a rigorous framework for quantifying estimation error with finite data. Consequently, the fundamental question of how precisely one can reconstruct the true underlying distribution from a limited training set remains unresolved. In this work, we analyze the estimation error induced by a score estimation of the discrete diffusion models. One of the main difficulties in the analysis stems from the fact that the cardinality of the state space can be exponentially large with respect to its dimension, which results in an intractable error bound by a naive approach. To overcome this difficulty, we make use of a property that the state space can be smoothly embedded in a continuous Euclidean space that enables us to derive a cardinality independent bound, which is more practical in real applications. In particular, we consider a setting where the state space is structured as a hypercube graph, and another where the induced graph Laplacian can be asymptotically well approximated by the ordinary Laplacian defined on the continuous space, and then derive state space size independent bounds.
Spectral bandits for smooth graph functions with applications in recommender systems
Kocรกk, Tomรกลก, Valko, Michal, Munos, Rรฉmi, Kveton, Branislav, Agrawal, Shipra
Smooth functions on graphs have wide applications in manifold and semi-supervised learning. In this paper, we study a bandit problem where the payoffs of arms are smooth on a graph. This framework is suitable for solving online learning problems that involve graphs, such as content-based recommendation. In this problem, each recommended item is a node and its expected rating is similar to its neighbors. The goal is to recommend items that have high expected ratings. We aim for the algorithms where the cumulative regret would not scale poorly with the number of nodes. In particular, we introduce the notion of an effective dimension, which is small in real-world graphs, and propose two algorithms for solving our problem that scale linearly in this dimension. Our experiments on real-world content recommendation problem show that a good estimator of user preferences for thousands of items can be learned from just tens nodes evaluations.
Learning Gaussian Graphical Models under Total Positivity via Spectral Graph Sparsification
Rodrรญguez, Ignacio Echave-Sustaeta, Abiad, Aida, Rรถttger, Frank
Many practical data analysis tasks reduce to learning, from observed samples, how a collection of variables depend on each other. A widely used approach is to fit a Gaussian graphical model, which represents the dependence structure as a graph connecting the variables. In a number of important applications, such as financial returns, gene co-expression, and climate or network analysis, the dependencies tend to be positive: variables move together rather than offset each other. Encoding this positivity through the constraint of multivariate total positivity of order two (MTP2) yields an attractive estimator that produces accurate fits with no tuning required. The resulting graphs are, however, typically much denser than the underlying ground-truth model, which makes them hard to interpret and slow to use in any downstream task that operates on the graph. In this work, we propose a novel highly-scalable approach for learning Gaussian graphical models from data using spectral sparsification; we call it Spectral-MTP2. Spectral graph sparsification is a fundamental method which aims to preserve meaningful properties of a dense graph with a sparser subgraph. We theoretically and empirically investigate and validate our method, and show that learning Gaussian Graphical Models under MTP2 using spectral sparsification preserves MTP2 and approximates well the original model in terms of Kullback-Leibler divergence and Gaussian log-likelihood. In simulations and applications to equity returns and gene expression, we observe that Spectral-MTP2 retains most of the fit quality of the denser MTP2 baseline, while producing substantially sparser and more interpretable graphs.
Graph Coarsening with Message-Passing Guarantees
Graph coarsening aims to reduce the size of a large graph while preserving some of its key properties, which has been used in many applications to reduce computational load and memory footprint. For instance, in graph machine learning, training Graph Neural Networks (GNNs) on coarsened graphs leads to drastic savings in time and memory. However, GNNs rely on the Message-Passing (MP) paradigm, and classical spectral preservation guarantees for graph coarsening do not directly lead to theoretical guarantees when performing naive message-passing on the coarsened graph. In this work, we propose a new message-passing operation specific to coarsened graphs, which exhibit theoretical guarantees on the preservation of the propagated signal. Interestingly, and in a sharp departure from previous proposals, this operation on coarsened graphs is often oriented, even when the original graph is undirected. We conduct node classification tasks on synthetic and real data and observe improved results compared to performing naive message-passing on the coarsened graph.
is as powerful as CWL with the generalised update rule HASH ct,ctB(),ctC(),ct# (),ct " ()
A.1 Cellular WLResults In this section, we assume basic familiarity with the WL test and its higher-order variants. For an introduction to these topics, we refer the reader to the survey of Sato [62]. We begin by introducing a few useful concepts. A cellular colouring is a map c that maps a cell complex X and one of its cells to a colour from a fixed colour palette. Let X,Y be two regular cell complexes and c a cellular colouring. We say that X,Y are c-similar, denoted by cX = cY, if the number of cells in X coloured with a given colour equals the number of cells in Y with the same colour. Otherwise, we have cX 6= cY . We emphasise that in this paper we are interested only in colourings c with the property that any two isomorphic cell complexes are c-similar. A cellular colouring c refines a cellular colouring d, denoted by c v d, if for all cell complexes X and Y and all 2 PX and 2 PY, cX = cY implies dX = dY . Additionally, if d v c, we say the two colourings are equivalent and we represent it by c d. We state the following result from Bodnar et al. [8] about simplicial colourings, which we translate here directly to cell complexes. The proof is however, identical, and we refer the reader to their work for that. Let X,Y be any regular cellular complexes with A PX and B PY . Consider two cellular colourings c,d such that c v d.