Portrait of Guy Wolf

Guy Wolf

Core Academic Member
Canada CIFAR AI Chair
Full Professor, Université de Montréal, Department of Mathematics and Statistics
Concordia University
CHUM - Montreal University Hospital Center
Research Topics
Data Mining
Deep Learning
Dynamical Systems
Graph Neural Networks
Information Retrieval
Learning on Graphs
Machine Learning Theory
Medical Machine Learning
Molecular Modeling
Multimodal Learning
Representation Learning
Spectral Learning

Biography

Guy Wolf is a Full Professor in the Department of Mathematics and Statistics (DMS) at the Université de Montréal (UdeM), a Canada CIFAR AI Chair & Core Academic Member at Mila (the Quebec AI institute), an Associate Researcher with CRCHUM (the Montreal university hospital research center), and a participating PI in the Helmholtz International Lab for Causal Cell Dynamics.

In 2024 he has been awarded a Humboldt Experienced Research Fellowship, as part of which he was a visiting professor at Heidelberg University (2024) and Helmholtz Munich (2024-2026) in Germany. Prior to joining UdeM and Mila, he was a Gibbs Assistant Professor (2015-2018) in the Applied Math Program and an Associate Research Scientist in the Department of Genetics (2018) at Yale University (CT, USA). Previously, he was a Postdoctoral Researcher (2013-2015) in the Department of Computer Science at École Normale Supérieure in Paris (France). He holds a Ph.D. in Computer Science from Tel Aviv University (Israel), and has five years of prior experience in IT software design & development for data analysis in military settings.

His current research focuses on guided representation learning for data exploration, including methods that leverage manifold learning and geometric deep learning for dimensionality reduction, visualization, denoising, data augmentation, and coarse graining. While relevant for a wide range of applications, he is particularly interested in the intersection of AI & health, including tools supporting exploratory analysis of biomedical data, e.g., in single-cell multiomics, drug discovery, and neuroscience.

Current Students

PhD - Université de Montréal
Collaborating researcher - University of Tübingen
Master's Research - Université de Montréal
Co-supervisor :
Master's Research - Concordia University
Principal supervisor :
Collaborating Alumni - Université de Montréal
PhD - Concordia University
Principal supervisor :
PhD - Université de Montréal
Independent visiting researcher - Helmholtz Munich
PhD - Université de Montréal
Co-supervisor :
Master's Research - Concordia University
Principal supervisor :
PhD - Université de Montréal
PhD - Université de Montréal
Co-supervisor :
Postdoctorate - Concordia University
Principal supervisor :
PhD - Université de Montréal
PhD - Concordia University
Principal supervisor :
Collaborating researcher - BYU
Independent visiting researcher - University of Fribourg
PhD - Université de Montréal
Principal supervisor :
PhD - Concordia University
Principal supervisor :
PhD - Université de Montréal
Master's Research - Université de Montréal
Master's Research - Université de Montréal
Collaborating Alumni - Université de Montréal
Co-supervisor :

Publications

Can Hybrid Geometric Scattering Networks Help Solve the Maximum Clique Problem?
Michael A. Perlmutter
We propose a geometric scattering-based graph neural network (GNN) for approximating solutions of the NP-hard maximum clique (MC) problem. W… (see more)e construct a loss function with two terms, one which encourages the network to find highly connected nodes and the other which acts as a surrogate for the constraint that the nodes form a clique. We then use this loss to train an efficient GNN architecture that outputs a vector representing the probability for each node to be part of the MC and apply a rule-based decoder to make our final prediction. The incorporation of the scattering transform alleviates the so-called oversmoothing problem that is often encountered in GNNs and would degrade the performance of our proposed setup. Our empirical results demonstrate that our method outperforms representative GNN baselines in terms of solution accuracy and inference speed as well as conventional solvers like Gurobi with limited time budgets. Furthermore, our scattering model is very parameter efficient with only
Long Range Graph Benchmark
Graph Neural Networks (GNNs) that are based on the message passing (MP) paradigm generally exchange information between 1-hop neighbors to b… (see more)uild node representations at each layer. In principle, such networks are not able to capture long-range interactions (LRI) that may be desired or necessary for learning a given task on graphs. Recently, there has been an increasing interest in development of Transformer-based methods for graphs that can consider full node connectivity beyond the original sparse structure, thus enabling the modeling of LRI. However, MP-GNNs that simply rely on 1-hop message passing often fare better in several existing graph benchmarks when combined with positional feature representations, among other innovations, hence limiting the perceived utility and ranking of Transformer-like architectures. Here, we present the Long Range Graph Benchmark (LRGB) with 5 graph learning datasets: PascalVOC-SP, COCO-SP, PCQM-Contact, Peptides-func and Peptides-struct that arguably require LRI reasoning to achieve strong performance in a given task. We benchmark both baseline GNNs and Graph Transformer networks to verify that the models which capture long-range dependencies perform significantly better on these tasks. Therefore, these datasets are suitable for benchmarking and exploration of MP-GNNs and Graph Transformer architectures that are intended to capture LRI.
Recipe for a General, Powerful, Scalable Graph Transformer
Vijay Prakash Dwivedi
Anh Tuan Luu
We propose a recipe on how to build a general, powerful, scalable (GPS) graph Transformer with linear complexity and state-of-the-art result… (see more)s on a diverse set of benchmarks. Graph Transformers (GTs) have gained popularity in the field of graph representation learning with a variety of recent publications but they lack a common foundation about what constitutes a good positional or structural encoding, and what differentiates them. In this paper, we summarize the different types of encodings with a clearer definition and categorize them as being
Taxonomy of Benchmarks in Graph Representation Learning
Renming Liu
Sarah McGuire
Xinyi Wang
Anna Little
Leslie O’Bray
Michael Perlmutter
Bastian Rieck
Matthew Hirn
Graph Neural Networks (GNNs) extend the success of neural networks to graph-structured data by accounting for their intrinsic geometry. Whil… (see more)e extensive research has been done on developing GNN models with superior performance according to a collection of graph representation learning benchmarks, it is currently not well understood what aspects of a given model are probed by them. For example, to what extent do they test the ability of a model to leverage graph structure vs. node features? Here, we develop a principled approach to taxonomize benchmarking datasets according to a
Learning Shared Neural Manifolds from Multi-Subject fMRI Data
Erica Busch
Tom Wallenstein
Michal Gerasimiuk
Andrew Benz
Nicholas Turk-Browne
Functional magnetic resonance imaging (fMRI) is a notoriously noisy measurement of brain activity because of the large variations between in… (see more)dividuals, signals marred by environmental differences during collection, and spatiotemporal averaging required by the measurement resolution. In addition, the data is extremely high dimensional, with the space of the activity typically having much lower intrinsic dimension. In order to understand the connection between stimuli of interest and brain activity, and analyze differences and commonalities between subjects, it becomes important to learn a meaningful embedding of the data that denoises, and reveals its intrinsic structure. Specifically, we assume that while noise varies significantly between individuals, true responses to stimuli will share common, low-dimensional features between subjects which are jointly discoverable. Similar approaches have been exploited previously but they have mainly used linear methods such as PCA and shared response modeling (SRM). In contrast, we propose a neural network called MRMD-AE (manifold-regularized multiple decoder, autoencoder), that learns a common embedding from multiple subjects in an experiment while retaining the ability to decode to individual raw fMRI signals. We show that our learned common space represents an extensible manifold (where new points not seen during training can be mapped), improves the classification accuracy of stimulus features of unseen timepoints, as well as improves cross-subject translation of fMRI signals. We believe this framework can be used for many downstream applications such as guided brain-computer interface (BCI) training in the future.
Parametric Scattering Networks
The wavelet scattering transform creates geometric invariants and deformation stability. In multiple signal domains, it has been shown to yi… (see more)eld more discriminative representations compared to other non-learned representations and to outperform learned representations in certain tasks, particularly on limited labeled data and highly structured signals. The wavelet filters used in the scattering transform are typically selected to create a tight frame via a parameterized mother wavelet. In this work, we investigate whether this standard wavelet filterbank construction is optimal. Focusing on Morlet wavelets, we propose to learn the scales, orientations, and aspect ratios of the filters to produce problem-specific parameterizations of the scattering transform. We show that our learned versions of the scattering transform yield significant performance gains in small-sample classification settings over the standard scattering transform. Moreover, our empirical results suggest that traditional filterbank constructions may not always be necessary for scattering transforms to extract effective representations.
Embedding Signals on Graphs with Unbalanced Diffusion Earth Mover’s Distance
In modern relational machine learning it is common to encounter large graphs that arise via interactions or similarities between observation… (see more)s in many domains. Further, in many cases the target entities for analysis are actually signals on such graphs. We propose to compare and organize such datasets of graph signals by using an earth mover’s distance (EMD) with a geodesic cost over the underlying graph. Typically, EMD is computed by optimizing over the cost of transporting one probability distribution to another over an underlying metric space. However, this is inefficient when computing the EMD between many signals. Here, we propose an unbalanced graph EMD that efficiently embeds the unbalanced EMD on an underlying graph into an L(1) space, whose metric we call unbalanced diffusion earth mover’s distance (UDEMD). Next, we show how this gives distances between graph signals that are robust to noise. Finally, we apply this to organizing patients based on clinical notes, embedding cells modeled as signals on a gene graph, and organizing genes modeled as signals over a large cell graph. In each case, we show that UDEMD-based embeddings find accurate distances that are highly efficient compared to other methods.
Embedding Signals on Graphs with Unbalanced Diffusion Earth Mover's Distance
In modern relational machine learning it is common to encounter large graphs that arise via interactions or similarities between observation… (see more)s in many domains. Further, in many cases the target entities for analysis are actually signals on such graphs. We propose to compare and organize such datasets of graph signals by using an earth mover's distance (EMD) with a geodesic cost over the underlying graph. Typically, EMD is computed by optimizing over the cost of transporting one probability distribution to another over an underlying metric space. However, this is inefficient when computing the EMD between many signals. Here, we propose an unbalanced graph EMD that efficiently embeds the unbalanced EMD on an underlying graph into an
Embedding Signals on Graphs with Unbalanced Diffusion Earth Mover's Distance
In modern relational machine learning it is common to encounter large graphs that arise via interactions or similarities between observation… (see more)s in many domains. Further, in many cases the target entities for analysis are actually signals on such graphs. We propose to compare and organize such datasets of graph signals by using an earth mover's distance (EMD) with a geodesic cost over the underlying graph. Typically, EMD is computed by optimizing over the cost of transporting one probability distribution to another over an underlying metric space. However, this is inefficient when computing the EMD between many signals. Here, we propose an unbalanced graph EMD that efficiently embeds the unbalanced EMD on an underlying graph into an
Multiscale PHATE Exploration of SARS-CoV-2 Data Reveals Multimodal Signatures of Disease
Manik Kuchroo
Patrick Wong
Jean-Christophe Grenier
Dennis Shung
Carolina Lucas
Jon Klein
Daniel B. Burkhardt
Scott Gigante
Abhinav Godavarthi
Benjamin Israelow
Tianyang Mao
Ji Eun Oh
Julio Silva
Takehiro Takahashi
Camila D. Odio
Arnau Casanovas-Massana
John Fournier
Shelli Farhadian … (see 7 more)
Charles S. Dela Cruz
Albert I. Ko
F. Perry Wilson
Akiko Iwasaki
Abstract

The biomedical community is producing increasingly high dimensional datasets, integrated from hundreds of… (see more) patient samples, which current computational techniques struggle to explore. To uncover biological meaning from these complex datasets, we present an approach called Multiscale PHATE, which learns abstracted biological features from data that can be directly predictive of disease. Built on a coarse graining process called diffusion condensation, Multiscale PHATE learns a data topology that can be analyzed at coarse levels for high level summarizations of data, as well as at fine levels for detailed representations on subsets. We apply Multiscale PHATE to study the immune response to COVID-19 in 54 million cells from 168 hospitalized patients. Through our analysis of patient samples, we identify CD16-hi,CD66b-lo neutrophil and IFNγ+,GranzymeB+ Th17 cell responses enriched in patients who die. Furthermore, we show that population groupings Multiscale PHATE discovers can be directly fed into a classifier to predict disease outcome. We also use Multiscale PHATE-derived features to construct two different manifolds of patients, one from abstracted flow cytometry features and another directly on patient clinical features, both associating immune subsets and clinical markers with outcome.

Population Genomics Approaches for Genetic Characterization of SARS-CoV-2 Lineages
Isabel Gamache
Arnaud N'Guessan
Justin Pelletier
Carmen Lia Murall
Vanda Gaonac’h-Lovejoy
David J. Hamelin
Raphaël Poujol
Jean-Christophe Grenier
Martin Smith
Etienne Caron
Morgan Craig
B. Jesse Shapiro
Julie G. Hussin
The genome of the Severe Acute Respiratory Syndrome coronavirus 2 (SARS-CoV-2), the pathogen that causes coronavirus disease 2019 (COVID-19)… (see more), has been sequenced at an unprecedented scale leading to a tremendous amount of viral genome sequencing data. To assist in tracing infection pathways and design preventive strategies, a deep understanding of the viral genetic diversity landscape is needed. We present here a set of genomic surveillance tools from population genetics which can be used to better understand the evolution of this virus in humans. To illustrate the utility of this toolbox, we detail an in depth analysis of the genetic diversity of SARS-CoV-2 in first year of the COVID-19 pandemic. We analyzed 329,854 high-quality consensus sequences published in the GISAID database during the pre-vaccination phase. We demonstrate that, compared to standard phylogenetic approaches, haplotype networks can be computed efficiently on much larger datasets. This approach enables real-time lineage identification, a clear description of the relationship between variants of concern, and efficient detection of recurrent mutations. Furthermore, time series change of Tajima's D by haplotype provides a powerful metric of lineage expansion. Finally, principal component analysis (PCA) highlights key steps in variant emergence and facilitates the visualization of genomic variation in the context of SARS-CoV-2 diversity. The computational framework presented here is simple to implement and insightful for real-time genomic surveillance of SARS-CoV-2 and could be applied to any pathogen that threatens the health of populations of humans and other organisms.
Exploring the Geometry and Topology of Neural Network Loss Landscapes
Recent work has established clear links between the generalization performance of trained neural networks and the geometry of their loss lan… (see more)dscape near the local minima to which they converge. This suggests that qualitative and quantitative examination of the loss landscape geometry could yield insights about neural network generalization performance during training. To this end, researchers have proposed visualizing the loss landscape through the use of simple dimensionality reduction techniques. However, such visualization methods have been limited by their linear nature and only capture features in one or two dimensions, thus restricting sampling of the loss landscape to lines or planes. Here, we expand and improve upon these in three ways. First, we present a novel "jump and retrain" procedure for sampling relevant portions of the loss landscape. We show that the resulting sampled data holds more meaningful information about the network's ability to generalize. Next, we show that non-linear dimensionality reduction of the jump and retrain trajectories via PHATE, a trajectory and manifold-preserving method, allows us to visualize differences between networks that are generalizing well vs poorly. Finally, we combine PHATE trajectories with a computational homology characterization to quantify trajectory differences.