Guy Wolf

Biographie

Guy Wolf est professeur titulaire au Département de mathématiques et de statistique (DMS) de l'Université de Montréal (UdeM), titulaire d'une chaire en IA Canada-CIFAR et membre académique principal de Mila (l'Institut québécois d'intelligence artificielle), chercheur associé au CRCHUM (Centre de recherche du Centre hospitalier de l'Université de Montréal) et chercheur principal participant au Laboratoire international Helmholtz pour la dynamique cellulaire causale.

En 2024, il a reçu une bourse de recherche Humboldt pour chercheurs expérimentés, dans le cadre de laquelle il a été professeur invité à l'Université de Heidelberg (2024) et à Helmholtz Munich (2024-2026) en Allemagne. Avant de joindre l'UdeM et Mila, il a été professeur adjoint Gibbs (2015-2018) au sein du programme de mathématiques appliquées, puis chercheur scientifique associé au Département de génétique (2018) de l'Université Yale (Connecticut, États-Unis). Auparavant, il a travaillé comme chercheur postdoctoral (2013-2015) au Département d'informatique de l'École normale supérieure à Paris (France). Il détient un doctorat en informatique de l'Université de Tel-Aviv (Israel) et possède cinq ans d'expérience préalable en conception et développement de logiciels informatiques pour l'analyse de données en contexte militaire.

Ses recherches actuelles portent sur l'apprentissage guidé de représentations pour l'exploration de données, notamment par des méthodes qui exploitent l'apprentissage de variétés (manifold learning) et l'apprentissage profond géométrique pour la réduction de dimensionnalité, la visualisation, le débruitage, l'augmentation de données et la modélisation à gros grains (coarse graining). Bien que ces approches s'appliquent à un large éventail de domaines, il s'intéresse particulièrement à l'intersection de l'IA et de la santé, notamment aux outils facilitant l'analyse exploratoire de données biomédicales, comme dans les domaines de la multiomique sur cellule unique (single-cell multiomics), de la découverte de médicaments et des neurosciences.

Étudiants actuels

Adrien Aumon

Doctorat - UdeM

adrien.aumon@mila.quebec

Semih Cantürk

Doctorat - UdeM

semihcanturk00@gmail.com

Joao Felipe Carneiro Barbosa Rocha

Collaborateur·rice de recherche - Yale University

Co-superviseur⋅e :

Smita Krishnaswamy

joaofelipe.rocha@mila.quebec

sebastian.damrich@mila.quebec

Sebastian Damrich

Collaborateur·rice de recherche - University of Tübingen

Maxine Dussault

Maîtrise recherche - UdeM

Co-superviseur⋅e :

Margarida Carvalho

maxine.dussault@mila.quebec

Stefan Horoi

Doctorat - UdeM

stefan.horoi@mila.quebec

Maîtrise recherche - Concordia

Superviseur⋅e principal⋅e :

xiaolong.huang@mila.quebec

Collaborateur·rice alumni - UdeM

guillaume.huguet@mila.quebec

Paul Janson

Doctorat - Concordia

Superviseur⋅e principal⋅e :

myriam.lizotte@mila.quebec

paul.janson@mila.quebec

Doctorat - UdeM

Gabriele Malagoli

Visiteur de recherche indépendant - Helmholtz Munich

gabriele.malagoli@mila.quebec

Philippe Martin

Doctorat - UdeM

Co-superviseur⋅e :

Paul François

philippe.martin@mila.quebec

Paria Mehrbod

Maîtrise recherche - Concordia

Superviseur⋅e principal⋅e :

paria.mehrbod@mila.quebec

Lydia Mezrag

Doctorat - UdeM

lydia.mezrag@mila.quebec

Kevin Moon

Collaborateur·rice de recherche

Sacha Morin

Doctorat - UdeM

Co-superviseur⋅e :

Liam Paull

sacha.morin@mila.quebec

Postdoctorat - Concordia

Superviseur⋅e principal⋅e :

geraldin.nanfack@mila.quebec

Shuang Ni

Doctorat - UdeM

shuang.ni@mila.quebec

Albert Orozco Camacho

Doctorat - Concordia

Superviseur⋅e principal⋅e :

Jake Rhodes

Collaborateur·rice de recherche - BYU

rhodes@stat.byu.edu

thomas.sabourin@mila.quebec

Thomas Sabourin

Doctorat - UdeM

johannes.schmidt@mila.quebec

Johannes Schmidt

Visiteur de recherche indépendant - University of Fribourg

Doctorat - UdeM

Superviseur⋅e principal⋅e :

Julie Hussin

matthew.scicluna@mila.quebec

Ammar Sherif

Doctorat - Concordia

Superviseur⋅e principal⋅e :

francisco.jose.tellez@mila.quebec

ammar.sherif@mila.quebec

Simeon Tchoffo

Doctorat - UdeM

simeontchoffo@gmail.com

Francisco Tellez

Maîtrise recherche - UdeM

César Miguel Valdez Cordova

Doctorat - McGill

Superviseur⋅e principal⋅e :

Mathieu Blanchette

cesar.valdez@mila.quebec

Maîtrise recherche - UdeM

Collaborateur·rice alumni - UdeM

Co-superviseur⋅e :

yanlei.zhang@mila.quebec

Analyser le paradoxe des interférons inhérent à la COVID-19 au moyen de la réduction de la dimensionnalité et du regroupement

Billets de blogue

Graph and representation of working methodology, and graph of data on deaths 60 days after onset of symptoms.

19 février 2025

par

Sacha Morin

Elsa Brunet-Ratnasingham

Guy Wolf

Lire l'article

Publications

Graph Neural Networks Meet Probabilistic Graphical Models: A Survey

Qian Zhang

2025-04-05

IEEE Conference on Acoustics, Speech, and Signal Processing (publié)

Principal Curvatures Estimation with Applications to Single Cell Data

Yanlei Zhang

Lydia Mezrag

Xingzhi Sun

Charles Xu

Kincaid MacDonald

Dhananjay Bhaskar

Smita Krishnaswamy

Bastian Rieck

2025-04-05

ICASSP 2025 - 2025 IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP) (publié)

arxiv.org

Unsupervised Test-Time Adaptation for Hepatic Steatosis Grading Using Ultrasound B-Mode Images

Michael Eickenberg

An Tang

Guy Cloutier

Ultrasound (US) is considered a key modality for the clinical assessment of hepatic steatosis (i.e., fatty liver) due to its noninvasiveness… (voir plus) and availability. Deep learning methods have attracted considerable interest in this field, as they are capable of learning patterns in a collection of images and achieve clinically comparable levels of accuracy in steatosis grading. However, variations in patient populations, acquisition protocols, equipment, and operator expertise across clinical sites can introduce domain shifts that reduce model performance when applied outside the original training setting. In response, unsupervised domain adaptation techniques are being investigated to address these shifts, allowing models to generalize more effectively across diverse clinical environments. In this work, we propose a test-time batch normalization (TTN) technique designed to handle domain shift, especially for changes in label distribution, by adapting selected features of batch normalization (BatchNorm) layers in a trained convolutional neural network model. This approach operates in an unsupervised manner, allowing robust adaptation to new distributions without access to label data. The method was evaluated on two abdominal US datasets collected at different institutions, assessing its capability in mitigating domain shift for hepatic steatosis classification. The proposed method reduced the mean absolute error in steatosis grading by 37% and improved the area under the receiver operating characteristic curves (AUC) for steatosis detection from 0.78 to 0.97, compared to nonadapted models. These findings demonstrate the potential of the proposed method to address domain shift in US-based hepatic steatosis diagnosis, minimizing risks associated with deploying trained models in various clinical settings.

2025-03-25

IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control (publié)

Towards Graph Foundation Models: A Study on the Generalization of Positional and Structural Encodings

Billy Joe Franks

Moshe Eliasof

Semih Cantürk

Carola-Bibiane Schönlieb

Sophie Fellenz

Marius Kloft

Recent advances in integrating positional and structural encodings (PSEs) into graph neural networks (GNNs) have significantly enhanced thei… (voir plus)r performance across various graph learning tasks. However, the general applicability of these encodings and their potential to serve as foundational representations for graphs remain uncertain. This paper investigates the fine-tuning efficiency, scalability with sample size, and generalization capability of learnable PSEs across diverse graph datasets. Specifically, we evaluate their potential as universal pre-trained models that can be easily adapted to new tasks with minimal fine-tuning and limited data. Furthermore, we assess the expressivity of the learned representations, particularly, when used to augment downstream GNNs. We demonstrate through extensive benchmarking and empirical analysis that PSEs generally enhance downstream models. However, some datasets may require specific PSE-augmentations to achieve optimal performance. Nevertheless, our findings highlight their significant potential to become integral components of future graph foundation models. We provide new insights into the strengths and limitations of PSEs, contributing to the broader discourse on foundation models in graph learning.

2025-03-06

TMLR (accepté)

openreview.net

Channel-Selective Normalization for Label-Shift Robust Test-Time Adaptation

Pedro Vianna

Muawiz Chaudhary

Paria Mehrbod

An Tang

Guy Cloutier

Michael Eickenberg

Deep neural networks have useful applications in many different tasks, however their performance can be severely affected by changes in the … (voir plus)data distribution. For example, in the biomedical field, their performance can be affected by changes in the data (different machines, populations) between training and test datasets. To ensure robustness and generalization to real-world scenarios, test-time adaptation has been recently studied as an approach to adjust models to a new data distribution during inference. Test-time batch normalization is a simple and popular method that achieved compelling performance on domain shift benchmarks. It is implemented by recalculating batch normalization statistics on test batches. Prior work has focused on analysis with test data that has the same label distribution as the training data. However, in many practical applications this technique is vulnerable to label distribution shifts, sometimes producing catastrophic failure. This presents a risk in applying test time adaptation methods in deployment. We propose to tackle this challenge by only selectively adapting channels in a deep network, minimizing drastic adaptation that is sensitive to label shifts. Our selection scheme is based on two principles that we empirically motivate: (1) later layers of networks are more sensitive to label shift (2) individual features can be sensitive to specific classes. We apply the proposed technique to three classification tasks, including CIFAR10-C, Imagenet-C, and diagnosis of fatty liver, where we explore both covariate and label distribution shifts. We find that our method allows to bring the benefits of TTA while significantly reducing the risk of failure common in other methods, while being robust to choice in hyperparameters.

2025-02-16

Conference on Lifelong Learning Agents (publié)

proceedings.mlr.press

Geometry-Aware Generative Autoencoders for Warped Riemannian Metric Learning and Generative Modeling on Data Manifolds

Xingzhi Sun

Danqi Liao

Kincaid MacDonald

Yanlei Zhang

Guillaume Huguet

Ian Adelstein

Tim G. J. Rudner

Smita Krishnaswamy

Rapid growth of high-dimensional datasets in fields such as single-cell RNA sequencing and spatial genomics has led to unprecedented opportu… (voir plus)nities for scientific discovery, but it also presents unique computational and statistical challenges. Traditional methods struggle with geometry-aware data generation, interpolation along meaningful trajectories, and transporting populations via feasible paths. To address these issues, we introduce Geometry-Aware Generative Autoencoder (GAGA), a novel framework that combines extensible manifold learning with generative modeling. GAGA constructs a neural network embedding space that respects the intrinsic geometries discovered by manifold learning and learns a novel warped Riemannian metric on the data space. This warped metric is derived from both the points on the data manifold and negative samples off the manifold, allowing it to characterize a meaningful geometry across the entire latent space. Using this metric, GAGA can uniformly sample points on the manifold, generate points along geodesics, and interpolate between populations across the learned manifold using geodesic-guided flows. GAGA shows competitive performance in simulated and real-world datasets, including a 30% improvement over the state-of-the-art methods in single-cell population-level trajectory inference.

2025-01-21

Artificial Intelligence and Statistics (poster)

proceedings.mlr.press

Non-Uniform Parameter-Wise Model Merging

Albert M. Orozco Camacho

Stefan Horoi

Combining multiple machine learning models has long been a technique for enhancing performance, particularly in distributed settings. Tradit… (voir plus)ional approaches, such as model ensembles, work well, but are expensive in terms of memory and compute. Recently, methods based on averaging model parameters have achieved good results in some settings and have gained popularity. However, merging models initialized differently that do not share a part of their training trajectories can yield worse results than simply using the base models, even after aligning their neurons. In this paper, we introduce a novel approach, Non-uniform Parameter-wise Model Merging, or NP Merge, which merges models by learning the contribution of each parameter to the final model using gradient-based optimization. We empirically demonstrate the effectiveness of our method for merging models of various architectures in multiple settings, outperforming past methods. We also extend NP Merge to handle the merging of multiple models, showcasing its scalability and robustness.

2024-12-14

IEEE Conference on Big Data (publié)

arxiv.org

Neural networks with optimized single-neuron adaptation uncover biologically plausible regularization

Neurons in the brain have rich and adaptive input-output properties. Features such as heterogeneous f-I curves and spike frequency adaptatio… (voir plus)n are known to place single neurons in optimal coding regimes when facing changing stimuli. Yet, it is still unclear how brain circuits exploit single-neuron flexibility, and how network-level requirements may have shaped such cellular function. To answer this question, a multi-scaled approach is needed where the computations of single neurons and neural circuits must be considered as a complete system. In this work, we use artificial neural networks to systematically investigate single-neuron input-output adaptive mechanisms, optimized in an end-to-end fashion. Throughout the optimization process, each neuron has the liberty to modify its nonlinear activation function, parametrized to mimic f-I curves of biological neurons, and to learn adaptation strategies to modify activation functions in real-time during a task. We find that such networks show much-improved robustness to noise and changes in input statistics. Importantly, we find that this procedure recovers precise coding strategies found in biological neurons, such as gain scaling and fractional order differentiation/integration. Using tools from dynamical systems theory, we analyze the role of these emergent single-neuron properties and argue that neural diversity and adaptation play an active regularization role, enabling neural circuits to optimally propagate information across time.

2024-12-12

PLOS Computational Biology (publié)

ReactZyme: A Benchmark for Enzyme-Reaction Prediction

Bozitao Zhong

Liang Hong

Shuangjia Zheng

Enzymes, with their specific catalyzed reactions, are necessary for all aspects of life, enabling diverse biological processes and adaptatio… (voir plus)ns. Predicting enzyme functions is essential for understanding biological pathways, guiding drug development, enhancing bioproduct yields, and facilitating evolutionary studies. Addressing the inherent complexities, we introduce a new approach to annotating enzymes based on their catalyzed reactions. This method provides detailed insights into specific reactions and is adaptable to newly discovered reactions, diverging from traditional classifications by protein family or expert-derived reaction classes. We employ machine learning algorithms to analyze enzyme reaction datasets, delivering a much more refined view on the functionality of enzymes. Our evaluation leverages the largest enzyme-reaction dataset to date, derived from the SwissProt and Rhea databases with entries up to January 8, 2024. We frame the enzyme-reaction prediction as a retrieval problem, aiming to rank enzymes by their catalytic ability for specific reactions. With our model, we can recruit proteins for novel reactions and predict reactions in novel proteins, facilitating enzyme discovery and function annotation (https://github.com/WillHua127/ReactZyme).

2024-12-10

Conference on Neural Information Processing Systems (Accept (Poster))

openreview.net

Towards a General GNN Framework for Combinatorial Optimization

Michael Perlmutter

Graph neural networks (GNNs) have achieved great success for a variety of tasks such as node classification, graph classification, and link … (voir plus)prediction. However, the use of GNNs (and machine learning more generally) to solve combinatorial optimization (CO) problems is much less explored. Here, we introduce GCON, a novel GNN architecture that leverages a complex filter bank and localized attention mechanisms to solve CO problems on graphs. We show how our method differentiates itself from prior GNN-based CO solvers and how it can be effectively applied to the maximum cut, minimum dominating set, and maximum clique problems in a unsupervised learning setting. GCON is competitive across all tasks and consistently outperforms other specialized GNN-based approaches, and is on par with the powerful Gurobi solver on the max-cut problem. We provide an open-source implementation of our work at https://github.com/WenkelF/copt.

2024-11-15

Learning on Graphs Conference (présentation orale)

proceedings.mlr.press

Reaction-conditioned De Novo Enzyme Design with GENzyme

Chenqing Hua

Jiarui Lu

Yang Liu

Odin Zhang

Jian Tang

Rex Ying

Wengong Jin

Doina Precup

Shuangjia Zheng

The introduction of models like RFDiffusionAA, AlphaFold3, AlphaProteo, and Chai1 has revolutionized protein structure modeling and interact… (voir plus)ion prediction, primarily from a binding perspective, focusing on creating ideal lock-and-key models. However, these methods can fall short for enzyme-substrate interactions, where perfect binding models are rare, and induced fit states are more common. To address this, we shift to a functional perspective for enzyme design, where the enzyme function is defined by the reaction it catalyzes. Here, we introduce \textsc{GENzyme}, a \textit{de novo} enzyme design model that takes a catalytic reaction as input and generates the catalytic pocket, full enzyme structure, and enzyme-substrate binding complex. \textsc{GENzyme} is an end-to-end, three-staged model that integrates (1) a catalytic pocket generation and sequence co-design module, (2) a pocket inpainting and enzyme inverse folding module, and (3) a binding and screening module to optimize and predict enzyme-substrate complexes. The entire design process is driven by the catalytic reaction being targeted. This reaction-first approach allows for more accurate and biologically relevant enzyme design, potentially surpassing structure-based and binding-focused models in creating enzymes capable of catalyzing specific reactions. We provide \textsc{GENzyme} code at https://github.com/WillHua127/GENzyme.

2024-11-09

ArXiv (prépublication)

arxiv.org

Effective Protein-Protein Interaction Exploration with PPIretrieval

Chenqing Hua

Connor W. Coley