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Source author record

Michael M. Bronstein

Michael M. Bronstein appears in the imported research catalog. Authorship, coauthor and topic links are available while profile ownership is still unclaimed.

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Computer VisionMachine LearningArtificial IntelligenceGraphicsNumerical AnalysisComputational Geometrymath.OCmath.SPNeural and Evolutionary ComputingComputer Science and Game TheoryData Structures and AlgorithmsInformation Theorymath.ATmath.DSmath.NAmath.STQuantitative MethodsSocial and Information Networksstat.OT

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Published work

32 published item(s)

preprint2026arXiv

Entropy Across the Bridge: Conditional-Marginal Discretization for Flow and Schrödinger Samplers

For a fixed flow-based generative model under a small inference budget, sample quality can depend strongly on where the sampler spends its few function evaluations. Flow matching and Schrödinger bridges define probability paths, yet their inference grids are usually heuristic or inherited from one-endpoint diffusion. We derive a conditional-marginal entropy-rate objective for bridge-aware discretization, separating endpoint-conditioned bridge geometry from marginal flow evolution, and use it to build a training-free entropic inference-time scheduler from first principles. For Gaussian Brownian bridges this rate is closed-form and U-shaped, motivating boundary-heavy nonuniform grids. On trained two-dimensional bridge/flow models, the estimated profile recovers the predicted shape and improves 10-step ODE-Heun MMD over linear by 18.1%, with a paired 22.7% SDE-Heun improvement in the same low-NFE sweep. On EDM/CIFAR-10, the entropic time-discretization gives the best tested five-step FID (186.3 \pm 4.0 versus 200.5 \pm 2.9 for linear and 238.0 \pm 5.3 for cosine). On AlphaFlow protein generation, entropic conditional-marginal (cond-marg) scheduling shows advantage in low-NFE regimes on both CAMEO22 and ATLAS benchmarks. These results support entropy-rate scheduling as a practical low-budget allocation signal for high-dimensional bridge and flow samplers.

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preprint2026arXiv

Scalable Equilibrium Sampling with Sequential Boltzmann Generators

Scalable sampling of molecular states in thermodynamic equilibrium is a long-standing challenge in statistical physics. Boltzmann generators tackle this problem by pairing normalizing flows with importance sampling to obtain uncorrelated samples under the target distribution. In this paper, we extend the Boltzmann generator framework with two key contributions, denoting our framework Sequential Boltzmann generators (SBG). The first is a highly efficient Transformer-based normalizing flow operating directly on all-atom Cartesian coordinates. In contrast to the equivariant continuous flows of prior methods, we leverage exactly invertible non-equivariant architectures which are highly efficient during both sample generation and likelihood evaluation. This efficiency unlocks more sophisticated inference strategies beyond standard importance sampling. In particular, we perform inference-time scaling of flow samples using a continuous-time variant of sequential Monte Carlo, in which flow samples are transported towards the target distribution with annealed Langevin dynamics. SBG achieves state-of-the-art performance w.r.t. all metrics on peptide systems, demonstrating the first equilibrium sampling in Cartesian coordinates of tri-, tetra- and hexa-peptides that were thus far intractable for prior Boltzmann generators.

0 citations0 reviewsNo code linkedOpen access
preprint2023arXiv

Neural Sheaf Diffusion: A Topological Perspective on Heterophily and Oversmoothing in GNNs

Cellular sheaves equip graphs with a "geometrical" structure by assigning vector spaces and linear maps to nodes and edges. Graph Neural Networks (GNNs) implicitly assume a graph with a trivial underlying sheaf. This choice is reflected in the structure of the graph Laplacian operator, the properties of the associated diffusion equation, and the characteristics of the convolutional models that discretise this equation. In this paper, we use cellular sheaf theory to show that the underlying geometry of the graph is deeply linked with the performance of GNNs in heterophilic settings and their oversmoothing behaviour. By considering a hierarchy of increasingly general sheaves, we study how the ability of the sheaf diffusion process to achieve linear separation of the classes in the infinite time limit expands. At the same time, we prove that when the sheaf is non-trivial, discretised parametric diffusion processes have greater control than GNNs over their asymptotic behaviour. On the practical side, we study how sheaves can be learned from data. The resulting sheaf diffusion models have many desirable properties that address the limitations of classical graph diffusion equations (and corresponding GNN models) and obtain competitive results in heterophilic settings. Overall, our work provides new connections between GNNs and algebraic topology and would be of interest to both fields.

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preprint2022arXiv

Efficient Globally Optimal 2D-to-3D Deformable Shape Matching

We propose the first algorithm for non-rigid 2D-to-3D shape matching, where the input is a 2D shape represented as a planar curve and a 3D shape represented as a surface; the output is a continuous curve on the surface. We cast the problem as finding the shortest circular path on the product 3-manifold of the surface and the curve. We prove that the optimal matching can be computed in polynomial time with a (worst-case) complexity of $O(mn^2\log(n))$, where $m$ and $n$ denote the number of vertices on the template curve and the 3D shape respectively. We also demonstrate that in practice the runtime is essentially linear in $m\!\cdot\! n$ making it an efficient method for shape analysis and shape retrieval. Quantitative evaluation confirms that the method provides excellent results for sketch-based deformable 3D shape retrieval.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Equivariant Subgraph Aggregation Networks

Message-passing neural networks (MPNNs) are the leading architecture for deep learning on graph-structured data, in large part due to their simplicity and scalability. Unfortunately, it was shown that these architectures are limited in their expressive power. This paper proposes a novel framework called Equivariant Subgraph Aggregation Networks (ESAN) to address this issue. Our main observation is that while two graphs may not be distinguishable by an MPNN, they often contain distinguishable subgraphs. Thus, we propose to represent each graph as a set of subgraphs derived by some predefined policy, and to process it using a suitable equivariant architecture. We develop novel variants of the 1-dimensional Weisfeiler-Leman (1-WL) test for graph isomorphism, and prove lower bounds on the expressiveness of ESAN in terms of these new WL variants. We further prove that our approach increases the expressive power of both MPNNs and more expressive architectures. Moreover, we provide theoretical results that describe how design choices such as the subgraph selection policy and equivariant neural architecture affect our architecture's expressive power. To deal with the increased computational cost, we propose a subgraph sampling scheme, which can be viewed as a stochastic version of our framework. A comprehensive set of experiments on real and synthetic datasets demonstrates that our framework improves the expressive power and overall performance of popular GNN architectures.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Graph-Coupled Oscillator Networks

We propose Graph-Coupled Oscillator Networks (GraphCON), a novel framework for deep learning on graphs. It is based on discretizations of a second-order system of ordinary differential equations (ODEs), which model a network of nonlinear controlled and damped oscillators, coupled via the adjacency structure of the underlying graph. The flexibility of our framework permits any basic GNN layer (e.g. convolutional or attentional) as the coupling function, from which a multi-layer deep neural network is built up via the dynamics of the proposed ODEs. We relate the oversmoothing problem, commonly encountered in GNNs, to the stability of steady states of the underlying ODE and show that zero-Dirichlet energy steady states are not stable for our proposed ODEs. This demonstrates that the proposed framework mitigates the oversmoothing problem. Moreover, we prove that GraphCON mitigates the exploding and vanishing gradients problem to facilitate training of deep multi-layer GNNs. Finally, we show that our approach offers competitive performance with respect to the state-of-the-art on a variety of graph-based learning tasks.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Graph-in-Graph (GiG): Learning interpretable latent graphs in non-Euclidean domain for biological and healthcare applications

Graphs are a powerful tool for representing and analyzing unstructured, non-Euclidean data ubiquitous in the healthcare domain. Two prominent examples are molecule property prediction and brain connectome analysis. Importantly, recent works have shown that considering relationships between input data samples have a positive regularizing effect for the downstream task in healthcare applications. These relationships are naturally modeled by a (possibly unknown) graph structure between input samples. In this work, we propose Graph-in-Graph (GiG), a neural network architecture for protein classification and brain imaging applications that exploits the graph representation of the input data samples and their latent relation. We assume an initially unknown latent-graph structure between graph-valued input data and propose to learn end-to-end a parametric model for message passing within and across input graph samples, along with the latent structure connecting the input graphs. Further, we introduce a degree distribution loss that helps regularize the predicted latent relationships structure. This regularization can significantly improve the downstream task. Moreover, the obtained latent graph can represent patient population models or networks of molecule clusters, providing a level of interpretability and knowledge discovery in the input domain of particular value in healthcare.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Learning to Infer Structures of Network Games

Strategic interactions between a group of individuals or organisations can be modelled as games played on networks, where a player's payoff depends not only on their actions but also on those of their neighbours. Inferring the network structure from observed game outcomes (equilibrium actions) is an important problem with numerous potential applications in economics and social sciences. Existing methods mostly require the knowledge of the utility function associated with the game, which is often unrealistic to obtain in real-world scenarios. We adopt a transformer-like architecture which correctly accounts for the symmetries of the problem and learns a mapping from the equilibrium actions to the network structure of the game without explicit knowledge of the utility function. We test our method on three different types of network games using both synthetic and real-world data, and demonstrate its effectiveness in network structure inference and superior performance over existing methods.

0 citations0 reviewsNo code linkedOpen access
preprint2021arXiv

Utilising Graph Machine Learning within Drug Discovery and Development

Graph Machine Learning (GML) is receiving growing interest within the pharmaceutical and biotechnology industries for its ability to model biomolecular structures, the functional relationships between them, and integrate multi-omic datasets - amongst other data types. Herein, we present a multidisciplinary academic-industrial review of the topic within the context of drug discovery and development. After introducing key terms and modelling approaches, we move chronologically through the drug development pipeline to identify and summarise work incorporating: target identification, design of small molecules and biologics, and drug repurposing. Whilst the field is still emerging, key milestones including repurposed drugs entering in vivo studies, suggest graph machine learning will become a modelling framework of choice within biomedical machine learning.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

Geometrically Principled Connections in Graph Neural Networks

Graph convolution operators bring the advantages of deep learning to a variety of graph and mesh processing tasks previously deemed out of reach. With their continued success comes the desire to design more powerful architectures, often by adapting existing deep learning techniques to non-Euclidean data. In this paper, we argue geometry should remain the primary driving force behind innovation in the emerging field of geometric deep learning. We relate graph neural networks to widely successful computer graphics and data approximation models: radial basis functions (RBFs). We conjecture that, like RBFs, graph convolution layers would benefit from the addition of simple functions to the powerful convolution kernels. We introduce affine skip connections, a novel building block formed by combining a fully connected layer with any graph convolution operator. We experimentally demonstrate the effectiveness of our technique and show the improved performance is the consequence of more than the increased number of parameters. Operators equipped with the affine skip connection markedly outperform their base performance on every task we evaluated, i.e., shape reconstruction, dense shape correspondence, and graph classification. We hope our simple and effective approach will serve as a solid baseline and help ease future research in graph neural networks.

0 citations0 reviewsNo code linkedOpen access
preprint2019arXiv

Isospectralization, or how to hear shape, style, and correspondence

The question whether one can recover the shape of a geometric object from its Laplacian spectrum ('hear the shape of the drum') is a classical problem in spectral geometry with a broad range of implications and applications. While theoretically the answer to this question is negative (there exist examples of iso-spectral but non-isometric manifolds), little is known about the practical possibility of using the spectrum for shape reconstruction and optimization. In this paper, we introduce a numerical procedure called isospectralization, consisting of deforming one shape to make its Laplacian spectrum match that of another. We implement the isospectralization procedure using modern differentiable programming techniques and exemplify its applications in some of the classical and notoriously hard problems in geometry processing, computer vision, and graphics such as shape reconstruction, pose and style transfer, and dense deformable correspondence.

0 citations0 reviewsNo code linkedOpen access
preprint2016arXiv

Learning shape correspondence with anisotropic convolutional neural networks

Establishing correspondence between shapes is a fundamental problem in geometry processing, arising in a wide variety of applications. The problem is especially difficult in the setting of non-isometric deformations, as well as in the presence of topological noise and missing parts, mainly due to the limited capability to model such deformations axiomatically. Several recent works showed that invariance to complex shape transformations can be learned from examples. In this paper, we introduce an intrinsic convolutional neural network architecture based on anisotropic diffusion kernels, which we term Anisotropic Convolutional Neural Network (ACNN). In our construction, we generalize convolutions to non-Euclidean domains by constructing a set of oriented anisotropic diffusion kernels, creating in this way a local intrinsic polar representation of the data (`patch'), which is then correlated with a filter. Several cascades of such filters, linear, and non-linear operators are stacked to form a deep neural network whose parameters are learned by minimizing a task-specific cost. We use ACNNs to effectively learn intrinsic dense correspondences between deformable shapes in very challenging settings, achieving state-of-the-art results on some of the most difficult recent correspondence benchmarks.

0 citations0 reviewsNo code linkedOpen access
preprint2016arXiv

Optimization on the biorthogonal manifold

In this paper, we consider optimization problems w.r.t. to pairs of orthogonal matrices $XY = I$. Problems of this form arise in several applications such as finding shape correspondence in computer graphics. We show that the space of such matrices is a Riemannian manifold, which we call the biorthogonal manifold. To our knowledge, this manifold has not been studied before. We give expressions of tangent space projection, exponential map, and retraction operators of the biorthogonal manifold, and discuss their numerical implementation.

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preprint2015arXiv

MADMM: a generic algorithm for non-smooth optimization on manifolds

Numerous problems in machine learning are formulated as optimization with manifold constraints. In this paper, we propose the Manifold alternating directions method of multipliers (MADMM), an extension of the classical ADMM scheme for manifold-constrained non-smooth optimization problems and show its application to several challenging problems in dimensionality reduction, data analysis, and manifold learning.

0 citations0 reviewsNo code linkedOpen access
preprint2015arXiv

Partial Functional Correspondence

In this paper, we propose a method for computing partial functional correspondence between non-rigid shapes. We use perturbation analysis to show how removal of shape parts changes the Laplace-Beltrami eigenfunctions, and exploit it as a prior on the spectral representation of the correspondence. Corresponding parts are optimization variables in our problem and are used to weight the functional correspondence; we are looking for the largest and most regular (in the Mumford-Shah sense) parts that minimize correspondence distortion. We show that our approach can cope with very challenging correspondence settings.

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preprint2014arXiv

Shape-from-intrinsic operator

Shape-from-X is an important class of problems in the fields of geometry processing, computer graphics, and vision, attempting to recover the structure of a shape from some observations. In this paper, we formulate the problem of shape-from-operator (SfO), recovering an embedding of a mesh from intrinsic differential operators defined on the mesh. Particularly interesting instances of our SfO problem include synthesis of shape analogies, shape-from-Laplacian reconstruction, and shape exaggeration. Numerically, we approach the SfO problem by splitting it into two optimization sub-problems that are applied in an alternating scheme: metric-from-operator (reconstruction of the discrete metric from the intrinsic operator) and embedding-from-metric (finding a shape embedding that would realize a given metric, a setting of the multidimensional scaling problem).

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preprint2014arXiv

Sparse similarity-preserving hashing

In recent years, a lot of attention has been devoted to efficient nearest neighbor search by means of similarity-preserving hashing. One of the plights of existing hashing techniques is the intrinsic trade-off between performance and computational complexity: while longer hash codes allow for lower false positive rates, it is very difficult to increase the embedding dimensionality without incurring in very high false negatives rates or prohibiting computational costs. In this paper, we propose a way to overcome this limitation by enforcing the hash codes to be sparse. Sparse high-dimensional codes enjoy from the low false positive rates typical of long hashes, while keeping the false negative rates similar to those of a shorter dense hashing scheme with equal number of degrees of freedom. We use a tailored feed-forward neural network for the hashing function. Extensive experimental evaluation involving visual and multi-modal data shows the benefits of the proposed method.

0 citations0 reviewsNo code linkedOpen access
preprint2013arXiv

Making Laplacians commute

In this paper, we construct multimodal spectral geometry by finding a pair of closest commuting operators (CCO) to a given pair of Laplacians. The CCOs are jointly diagonalizable and hence have the same eigenbasis. Our construction naturally extends classical data analysis tools based on spectral geometry, such as diffusion maps and spectral clustering. We provide several synthetic and real examples of applications in dimensionality reduction, shape analysis, and clustering, demonstrating that our method better captures the inherent structure of multi-modal data.

0 citations0 reviewsNo code linkedOpen access
preprint2013arXiv

Structure-preserving color transformations using Laplacian commutativity

Mappings between color spaces are ubiquitous in image processing problems such as gamut mapping, decolorization, and image optimization for color-blind people. Simple color transformations often result in information loss and ambiguities (for example, when mapping from RGB to grayscale), and one wishes to find an image-specific transformation that would preserve as much as possible the structure of the original image in the target color space. In this paper, we propose Laplacian colormaps, a generic framework for structure-preserving color transformations between images. We use the image Laplacian to capture the structural information, and show that if the color transformation between two images preserves the structure, the respective Laplacians have similar eigenvectors, or in other words, are approximately jointly diagonalizable. Employing the relation between joint diagonalizability and commutativity of matrices, we use Laplacians commutativity as a criterion of color mapping quality and minimize it w.r.t. the parameters of a color transformation to achieve optimal structure preservation. We show numerous applications of our approach, including color-to-gray conversion, gamut mapping, multispectral image fusion, and image optimization for color deficient viewers.

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preprint2012arXiv

Multimodal diffusion geometry by joint diagonalization of Laplacians

We construct an extension of diffusion geometry to multiple modalities through joint approximate diagonalization of Laplacian matrices. This naturally extends classical data analysis tools based on spectral geometry, such as diffusion maps and spectral clustering. We provide several synthetic and real examples of manifold learning, retrieval, and clustering demonstrating that the joint diffusion geometry frequently better captures the inherent structure of multi-modal data. We also show that many previous attempts to construct multimodal spectral clustering can be seen as particular cases of joint approximate diagonalization of the Laplacians.

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preprint2012arXiv

Multimodal similarity-preserving hashing

We introduce an efficient computational framework for hashing data belonging to multiple modalities into a single representation space where they become mutually comparable. The proposed approach is based on a novel coupled siamese neural network architecture and allows unified treatment of intra- and inter-modality similarity learning. Unlike existing cross-modality similarity learning approaches, our hashing functions are not limited to binarized linear projections and can assume arbitrarily complex forms. We show experimentally that our method significantly outperforms state-of-the-art hashing approaches on multimedia retrieval tasks.

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preprint2011arXiv

A correspondence-less approach to matching of deformable shapes

Finding a match between partially available deformable shapes is a challenging problem with numerous applications. The problem is usually approached by computing local descriptors on a pair of shapes and then establishing a point-wise correspondence between the two. In this paper, we introduce an alternative correspondence-less approach to matching fragments to an entire shape undergoing a non-rigid deformation. We use diffusion geometric descriptors and optimize over the integration domains on which the integral descriptors of the two parts match. The problem is regularized using the Mumford-Shah functional. We show an efficient discretization based on the Ambrosio-Tortorelli approximation generalized to triangular meshes. Experiments demonstrating the success of the proposed method are presented.

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preprint2011arXiv

Descriptor learning for omnidirectional image matching

Feature matching in omnidirectional vision systems is a challenging problem, mainly because complicated optical systems make the theoretical modelling of invariance and construction of invariant feature descriptors hard or even impossible. In this paper, we propose learning invariant descriptors using a training set of similar and dissimilar descriptor pairs. We use the similarity-preserving hashing framework, in which we are trying to map the descriptor data to the Hamming space preserving the descriptor similarity on the training set. A neural network is used to solve the underlying optimization problem. Our approach outperforms not only straightforward descriptor matching, but also state-of-the-art similarity-preserving hashing methods.

0 citations0 reviewsNo code linkedOpen access
preprint2011arXiv

Diffusion framework for geometric and photometric data fusion in non-rigid shape analysis

In this paper, we explore the use of the diffusion geometry framework for the fusion of geometric and photometric information in local and global shape descriptors. Our construction is based on the definition of a diffusion process on the shape manifold embedded into a high-dimensional space where the embedding coordinates represent the photometric information. Experimental results show that such data fusion is useful in coping with different challenges of shape analysis where pure geometric and pure photometric methods fail.

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preprint2011arXiv

Multimodal diff-hash

Many applications require comparing multimodal data with different structure and dimensionality that cannot be compared directly. Recently, there has been increasing interest in methods for learning and efficiently representing such multimodal similarity. In this paper, we present a simple algorithm for multimodal similarity-preserving hashing, trying to map multimodal data into the Hamming space while preserving the intra- and inter-modal similarities. We show that our method significantly outperforms the state-of-the-art method in the field.

0 citations0 reviewsNo code linkedOpen access
preprint2010arXiv

Affine-invariant diffusion geometry for the analysis of deformable 3D shapes

We introduce an (equi-)affine invariant diffusion geometry by which surfaces that go through squeeze and shear transformations can still be properly analyzed. The definition of an affine invariant metric enables us to construct an invariant Laplacian from which local and global geometric structures are extracted. Applications of the proposed framework demonstrate its power in generalizing and enriching the existing set of tools for shape analysis.

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preprint2010arXiv

Affine-invariant geodesic geometry of deformable 3D shapes

Natural objects can be subject to various transformations yet still preserve properties that we refer to as invariants. Here, we use definitions of affine invariant arclength for surfaces in R^3 in order to extend the set of existing non-rigid shape analysis tools. In fact, we show that by re-defining the surface metric as its equi-affine version, the surface with its modified metric tensor can be treated as a canonical Euclidean object on which most classical Euclidean processing and analysis tools can be applied. The new definition of a metric is used to extend the fast marching method technique for computing geodesic distances on surfaces, where now, the distances are defined with respect to an affine invariant arclength. Applications of the proposed framework demonstrate its invariance, efficiency, and accuracy in shape analysis.

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preprint2010arXiv

Diffusion-geometric maximally stable component detection in deformable shapes

Maximally stable component detection is a very popular method for feature analysis in images, mainly due to its low computation cost and high repeatability. With the recent advance of feature-based methods in geometric shape analysis, there is significant interest in finding analogous approaches in the 3D world. In this paper, we formulate a diffusion-geometric framework for stable component detection in non-rigid 3D shapes, which can be used for geometric feature detection and description. A quantitative evaluation of our method on the SHREC'10 feature detection benchmark shows its potential as a source of high-quality features.

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preprint2010arXiv

The Video Genome

Fast evolution of Internet technologies has led to an explosive growth of video data available in the public domain and created unprecedented challenges in the analysis, organization, management, and control of such content. The problems encountered in video analysis such as identifying a video in a large database (e.g. detecting pirated content in YouTube), putting together video fragments, finding similarities and common ancestry between different versions of a video, have analogous counterpart problems in genetic research and analysis of DNA and protein sequences. In this paper, we exploit the analogy between genetic sequences and videos and propose an approach to video analysis motivated by genomic research. Representing video information as video DNA sequences and applying bioinformatic algorithms allows to search, match, and compare videos in large-scale databases. We show an application for content-based metadata mapping between versions of annotated video.

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