Guy Wolf

Biography

Guy Wolf is an associate professor in the Department of Mathematics and Statistics at Université de Montréal.

His research interests lie at the intersection of machine learning, data science and applied mathematics. He is particularly interested in data mining methods that use manifold learning and deep geometric learning, as well as applications for the exploratory analysis of biomedical data.

Wolf’s research focuses on exploratory data analysis and its applications in bioinformatics. His approaches are multidisciplinary and bring together machine learning, signal processing and applied math tools. His recent work has used a combination of diffusion geometries and deep learning to find emergent patterns, dynamics, and structure in big high dimensional- data (e.g., in single-cell genomics and proteomics).

Current Students

Sabeur Aridhi

Independent visiting researcher - University of Lorraine

Ria Arora

Master's Research - Université de Montréal

Co-supervisor :

Liam Paull

Nader Asadi

Collaborating Alumni

Principal supervisor :

PhD - Université de Montréal

Semih Cantürk

PhD - Université de Montréal

semihcanturk00@gmail.com

Collaborating Alumni

Collaborating researcher - Western Washington University (faculty; assistant prof))

Co-supervisor :

PhD - Université de Montréal

Will Hua

Master's Research - McGill University

Principal supervisor :

Doina Precup

Guillaume Huguet

PhD - Université de Montréal

Paul Janson

PhD - Concordia University

Principal supervisor :

Charles-Etienne Joseph

Master's Research - Université de Montréal

Principal supervisor :

Jake Kovalic

Collaborating researcher - Yale

Vincent Létourneau

Postdoctorate - Université de Montréal

Myriam Lizotte

PhD - Université de Montréal

Philippe Martin

PhD - Université de Montréal

Co-supervisor :

Paul François

Paria Mehrbod

Master's Research - Concordia University

Principal supervisor :

Lydia Mezrag

PhD - Université de Montréal

Sacha Morin

PhD - Université de Montréal

Co-supervisor :

Liam Paull

Hasti Nafisi

Master's Research - Université de Montréal

Co-supervisor :

Yashar Hezaveh

Geraldin Nanfack

Postdoctorate - Concordia University

Principal supervisor :

Amine Natik

PhD - Université de Montréal

Principal supervisor :

Guillaume Lajoie

Shuang Ni

PhD - Université de Montréal

Albert Orozco Camacho

PhD - Concordia University

Principal supervisor :

Independent visiting researcher

Master's Research - Université de Montréal

Donald Shenaj

Collaborating researcher - Concordia University

Principal supervisor :

Collaborating researcher - Université de Montréal

Co-supervisor :

Collaborating researcher - Yale

Frederik Wenkel

PhD - Université de Montréal

Research Intern - Western Washington University

Principal supervisor :

Postdoctorate - Université de Montréal

stephanie.zandee@mcgill.ca

Stephanie Zandee

Collaborating researcher - McGill University (assistant professor)

Publications

Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasets

Dominique Beaini

Shenyang Huang

Joao Alex Cunha

Zhiyi Li

Gabriela Moisescu-Pareja

Oleksandr Dymov

Samuel Maddrell-Mander

Callum McLean

Frederik Wenkel

Luis Müller

Jama Hussein Mohamud

Ali Parviz

Michael Craig

Michał Koziarski

Jiarui Lu

Zhaocheng Zhu

Cristian Gabellini

Kerstin Klaser

Josef Dean

Cas Wognum … (see 15 more)

Maciej Sypetkowski

Guillaume Rabusseau

Reihaneh Rabbany

Jian Tang

Christopher Morris

Ioannis Koutis

Mirco Ravanelli

Prudencio Tossou

Hadrien Mary

Therence Bois

Andrew William Fitzgibbon

Blazej Banaszewski

Chad Martin

Dominic Masters

Recently, pre-trained foundation models have enabled significant advancements in multiple fields. In molecular machine learning, however, wh… (see more)ere datasets are often hand-curated, and hence typically small, the lack of datasets with labeled features, and codebases to manage those datasets, has hindered the development of foundation models. In this work, we present seven novel datasets categorized by size into three distinct categories: ToyMix, LargeMix and UltraLarge. These datasets push the boundaries in both the scale and the diversity of supervised labels for molecular learning. They cover nearly 100 million molecules and over 3000 sparsely defined tasks, totaling more than 13 billion individual labels of both quantum and biological nature. In comparison, our datasets contain 300 times more data points than the widely used OGB-LSC PCQM4Mv2 dataset, and 13 times more than the quantum-only QM1B dataset. In addition, to support the development of foundational models based on our proposed datasets, we present the Graphium graph machine learning library which simplifies the process of building and training molecular machine learning models for multi-task and multi-level molecular datasets. Finally, we present a range of baseline results as a starting point of multi-task and multi-level training on these datasets. Empirically, we observe that performance on low-resource biological datasets show improvement by also training on large amounts of quantum data. This indicates that there may be potential in multi-task and multi-level training of a foundation model and fine-tuning it to resource-constrained downstream tasks. The Graphium library is publicly available on Github and the dataset links are available in Part 1 and Part 2.

2024-01-16

ICLR.cc/2024/Conference (poster)

Assessing Neural Network Representations During Training Using Noise-Resilient Diffusion Spectral Entropy

Danqi Liao

Chen Liu

Benjamin W Christensen

Alexander Tong

Guillaume Huguet

Maximilian Nickel

Ian Adelstein

Smita Krishnaswamy

Entropy and mutual information in neural networks provide rich information on the learning process, but they have proven difficult to comput… (see more)e reliably in high dimensions. Indeed, in noisy and high-dimensional data, traditional estimates in ambient dimensions approach a fixed entropy and are prohibitively hard to compute. To address these issues, we leverage data geometry to access the underlying manifold and reliably compute these information-theoretic measures. Specifically, we define diffusion spectral entropy (DSE) in neural representations of a dataset as well as diffusion spectral mutual information (DSMI) between different variables representing data. First, we show that they form noise-resistant measures of intrinsic dimensionality and relationship strength in high-dimensional simulated data that outperform classic Shannon entropy, nonparametric estimation, and mutual information neural estimation (MINE). We then study the evolution of representations in classification networks with supervised learning, self-supervision, or overfitting. We observe that (1) DSE of neural representations increases during training; (2) DSMI with the class label increases during generalizable learning but stays stagnant during overfitting; (3) DSMI with the input signal shows differing trends: on MNIST it increases, while on CIFAR-10 and STL-10 it decreases. Finally, we show that DSE can be used to guide better network initialization and that DSMI can be used to predict downstream classification accuracy across 962 models on ImageNet.

2024-01-01

CISS (published)

Enhancing Supervised Visualization through Autoencoder and Random Forest Proximities for Out-of-Sample Extension

Shuang Ni

Adrien Aumon

Kevin R. Moon

Jake S. Rhodes

The value of supervised dimensionality reduction lies in its ability to uncover meaningful connections between data features and labels. Com… (see more)mon dimensionality reduction methods embed a set of fixed, latent points, but are not capable of generalizing to an unseen test set. In this paper, we provide an out-of-sample extension method for the random forest-based supervised dimensionality reduction method, RF-PHATE, combining information learned from the random forest model with the function-learning capabilities of autoencoders. Through quantitative assessment of various autoencoder architectures, we identify that networks that reconstruct random forest proximities are more robust for the embedding extension problem. Furthermore, by leveraging proximity-based prototypes, we achieve a 40% reduction in training time without compromising extension quality. Our method does not require label information for out-of-sample points, thus serving as a semi-supervised method, and can achieve consistent quality using only 10% of the training data.

2024-01-01

2024 IEEE 34th International Workshop on Machine Learning for Signal Processing (MLSP) (published)

Learnable Filters for Geometric Scattering Modules

Alexander Tong

Frederik Wenkel

Dhananjay Bhaskar

Kincaid MacDonald

Jackson Grady

Michael Perlmutter

Smita Krishnaswamy

2024-01-01

IEEE Transactions on Signal Processing (published)

Simulation-Free Schrödinger Bridges via Score and Flow Matching

Alexander Tong

Nikolay Malkin

Kilian FATRAS

Lazar Atanackovic

Yanlei Zhang

Guillaume Huguet

Yoshua Bengio

We present simulation-free score and flow matching ([SF]…

2024-01-01

AISTATS (published)

Spectral Temporal Contrastive Learning

Sacha Morin

Somjit Nath

Samira Ebrahimi Kahou

Learning useful data representations without requiring labels is a cornerstone of modern deep learning. Self-supervised learning methods, pa… (see more)rticularly contrastive learning (CL), have proven successful by leveraging data augmentations to define positive pairs. This success has prompted a number of theoretical studies to better understand CL and investigate theoretical bounds for downstream linear probing tasks. This work is concerned with the temporal contrastive learning (TCL) setting where the sequential structure of the data is used instead to define positive pairs, which is more commonly used in RL and robotics contexts. In this paper, we adapt recent work on Spectral CL to formulate Spectral Temporal Contrastive Learning (STCL). We discuss a population loss based on a state graph derived from a time-homogeneous reversible Markov chain with uniform stationary distribution. The STCL loss enables to connect the linear probing performance to the spectral properties of the graph, and can be estimated by considering previously observed data sequences as an ensemble of MCMC chains.

2023-12-01

ArXiv (preprint)

Inferring dynamic regulatory interaction graphs from time series data with perturbations

Dhananjay Bhaskar

Daniel Sumner Magruder

Edward De Brouwer

Matheo Morales

Aarthi Venkat

Frederik Wenkel

Smita Krishnaswamy

2023-11-18

logconference.io/LOG/2023/Conference (poster)

Channel Selection for Test-Time Adaptation Under Distribution Shift

Pedro Vianna

Muawiz Sajjad Chaudhary

An Tang

Guy Cloutier

Michael Eickenberg

To ensure robustness and generalization to real-world scenarios, test-time adaptation has been recently studied as an approach to adjust mod… (see more)els 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 by recalculating batch normalization statistics on test batches. However, in many practical applications this technique is vulnerable to label distribution shifts. We propose to tackle this challenge by only selectively adapting channels in a deep network, minimizing drastic adaptation that is sensitive to label shifts. We find that adapted models significantly improve the performance compared to the baseline models and counteract unknown label shifts.

2023-10-27

NeurIPS.cc/2023/Workshop/DistShift (poster)

Understanding Graph Neural Networks with Generalized Geometric Scattering Transforms

Michael Perlmutter

Alexander Tong

Feng Gao

Matthew Hirn

The scattering transform is a multilayered wavelet-based deep learning architecture that acts as a model of convolutional neural networks. R… (see more)ecently, several works have introduced generalizations of the scattering transform for non-Euclidean settings such as graphs. Our work builds upon these constructions by introducing windowed and non-windowed geometric scattering transforms for graphs based upon a very general class of asymmetric wavelets. We show that these asymmetric graph scattering transforms have many of the same theoretical guarantees as their symmetric counterparts. As a result, the proposed construction unifies and extends known theoretical results for many of the existing graph scattering architectures. In doing so, this work helps bridge the gap between geometric scattering and other graph neural networks by introducing a large family of networks with provable stability and invariance guarantees. These results lay the groundwork for future deep learning architectures for graph-structured data that have learned filters and also provably have desirable theoretical properties.

2023-10-25

SIAM Journal on Mathematics of Data Science (published)

Comparison of Radiologists and Deep Learning for US Grading of Hepatic Steatosis.

Pedro Vianna

Sara-Ivana Calce

Pamela Boustros

Cassandra Larocque-Rigney

Laurent Patry-Beaudoin

Yi Hui Luo

Emre Aslan

John Marinos

Talal M. Alamri

Kim-Nhien Vu

Jessica Murphy-Lavallée

Jean-Sébastien Billiard

Emmanuel Montagnon

Hongliang Li

Samuel Kadoury

Bich Nguyen

Shanel Gauthier

Benjamin Thérien

Irina Rish

Eugene Belilovsky … (see 4 more)

Michael Chassé

Guy Cloutier

An Tang

Background Screening for nonalcoholic fatty liver disease (NAFLD) is suboptimal due to the subjective interpretation of US images. Purpose T… (see more)o evaluate the agreement and diagnostic performance of radiologists and a deep learning model in grading hepatic steatosis in NAFLD at US, with biopsy as the reference standard. Materials and Methods This retrospective study included patients with NAFLD and control patients without hepatic steatosis who underwent abdominal US and contemporaneous liver biopsy from September 2010 to October 2019. Six readers visually graded steatosis on US images twice, 2 weeks apart. Reader agreement was assessed with use of κ statistics. Three deep learning techniques applied to B-mode US images were used to classify dichotomized steatosis grades. Classification performance of human radiologists and the deep learning model for dichotomized steatosis grades (S0, S1, S2, and S3) was assessed with area under the receiver operating characteristic curve (AUC) on a separate test set. Results The study included 199 patients (mean age, 53 years ± 13 [SD]; 101 men). On the test set (n = 52), radiologists had fair interreader agreement (0.34 [95% CI: 0.31, 0.37]) for classifying steatosis grades S0 versus S1 or higher, while AUCs were between 0.49 and 0.84 for radiologists and 0.85 (95% CI: 0.83, 0.87) for the deep learning model. For S0 or S1 versus S2 or S3, radiologists had fair interreader agreement (0.30 [95% CI: 0.27, 0.33]), while AUCs were between 0.57 and 0.76 for radiologists and 0.73 (95% CI: 0.71, 0.75) for the deep learning model. For S2 or lower versus S3, radiologists had fair interreader agreement (0.37 [95% CI: 0.33, 0.40]), while AUCs were between 0.52 and 0.81 for radiologists and 0.67 (95% CI: 0.64, 0.69) for the deep learning model. Conclusion Deep learning approaches applied to B-mode US images provided comparable performance with human readers for detection and grading of hepatic steatosis. Published under a CC BY 4.0 license. Supplemental material is available for this article. See also the editorial by Tuthill in this issue.

2023-10-01

Radiology (published)

F66. FROM GENE TO COGNITION: MAPPING THE EFFECTS OF GENOMIC DELETIONS AND DUPLICATIONS ON COGNITIVE ABILITY

Sayeh Kazem

Kuldeep Kumar

Guillaume Huguet

Myriam Lizotte

Thomas Renne

Jakub Kopal

Stefan Horoi

Martineau Jean-Louis

Zohra Saci

Laura Almasy

David C. Glahn

Guillaume Dumas

Sébastien Jacquemont

2023-10-01

European Neuropsychopharmacology (published)

Graph topological property recovery with heat and wave dynamics-based features on graphs

Dhananjay Bhaskar

Yanlei Zhang

Charles Xu

Xingzhi Sun

Oluwadamilola Fasina

Maximilian Nickel

Michael Perlmutter

Smita Krishnaswamy

2023-09-18

ArXiv (preprint)