Guy Wolf

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

Adrien Aumon

PhD - Université de Montréal

adrien.aumon@mila.quebec

Semih Cantürk

PhD - Université de Montréal

semihcanturk00@gmail.com

Joao Felipe Carneiro Barbosa Rocha

Collaborating researcher - Yale University

Co-supervisor :

Smita Krishnaswamy

joaofelipe.rocha@mila.quebec

sebastian.damrich@mila.quebec

Sebastian Damrich

Collaborating researcher - University of Tübingen

Maxine Dussault

Master's Research - Université de Montréal

Co-supervisor :

Margarida Carvalho

maxine.dussault@mila.quebec

Stefan Horoi

PhD - Université de Montréal

stefan.horoi@mila.quebec

Xiao Huang

Master's Research - Concordia University

Principal supervisor :

xiaolong.huang@mila.quebec

Collaborating Alumni - Université de Montréal

guillaume.huguet@mila.quebec

Paul Janson

PhD - Concordia University

Principal supervisor :

myriam.lizotte@mila.quebec

paul.janson@mila.quebec

PhD - Université de Montréal

Gabriele Malagoli

Independent visiting researcher - Helmholtz Munich

gabriele.malagoli@mila.quebec

Philippe Martin

PhD - Université de Montréal

Co-supervisor :

Paul François

philippe.martin@mila.quebec

Paria Mehrbod

Master's Research - Concordia University

Principal supervisor :

paria.mehrbod@mila.quebec

Lydia Mezrag

PhD - Université de Montréal

lydia.mezrag@mila.quebec

Kevin Moon

Collaborating researcher

Sacha Morin

PhD - Université de Montréal

Co-supervisor :

Liam Paull

sacha.morin@mila.quebec

Postdoctorate - Concordia University

Principal supervisor :

geraldin.nanfack@mila.quebec

Shuang Ni

PhD - Université de Montréal

shuang.ni@mila.quebec

Albert Orozco Camacho

PhD - Concordia University

Principal supervisor :

Jake Rhodes

Collaborating researcher - BYU

rhodes@stat.byu.edu

thomas.sabourin@mila.quebec

Thomas Sabourin

Master's Research - Université de Montréal

johannes.schmidt@mila.quebec

Johannes Schmidt

Independent visiting researcher - University of Fribourg

PhD - Université de Montréal

Principal supervisor :

Julie Hussin

matthew.scicluna@mila.quebec

francisco.jose.tellez@mila.quebec

Simeon Tchoffo

PhD - Université de Montréal

simeontchoffo@gmail.com

Francisco Tellez

Master's Research - Université de Montréal

Jesuino Vieira Filho

Master's Research - Université de Montréal

Collaborating Alumni - Université de Montréal

Co-supervisor :

yanlei.zhang@mila.quebec

Exploring the COVID-19 Interferon Paradox with Dimensionality Reduction and Clustering

Blog Posts

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

February 19, 2025

Sacha Morin

Elsa Brunet-Ratnasingham

Guy Wolf

Read the article

Publications

Freeze, Diffuse, Decode: Task-Aware Adaptation of Transformer Embeddings for Antimicrobial Peptide Design

Pankhil Gawade

Adam Izdebski

Myriam Lizotte

Kevin R. Moon

Jake Slater Rhodes

Ewa Szczurek

Pretrained transformers provide general-purpose molecular embeddings for downstream tasks. While these embeddings provide task-agnostic stru… (see more)ctural patterns, they lack task-specific alignment, limiting downstream performance. Here, we introduce Freeze, Diffuse, Decode (FDD), a diffusion-based framework that adapts pretrained transformer embeddings to downstream tasks by building a task supervised diffusion geometry over the frozen embeddings, without any backbone training. Applied to antimicrobial peptide design, FDD yields low-dimensional, predictive, and interpretable representations that support property prediction, retrieval, and latent-space interpolation.

2026-07-15

Topology, Algebra, and Geometry in Data Science (oral)

César Miguel Valdez Cordova

Towards Distilling the Representational Geometry of Language Models

Andrew J Steindl

Dhananjay Bhaskar

Ian Adelstein

Smita Krishnaswamy

Large neural networks are increasingly combined through weight-space merging and distilled into smaller models, but weights and activations … (see more)are not canonical coordinates: two networks can implement similar functions while differing by permutations, rescalings, or basis changes. We ask whether these operations can instead be guided by the geometry of a model's representation space. For each model, we summarize the relationships among probe examples using a diffusion operator built from internal activations. We then test a simple distillation procedure in which a student is trained to match a fixed diffusion-geometry target derived from a teacher. Across Pythia, BERT, and DeBERTa-v3, this target does not generally make the student inherit the teacher's specific representation geometry. Instead, distilled students usually remain closer to matched task-only controls, and the objective has little effect on held-out performance. These results suggest that representation-geometry objectives must be evaluated against the geometry a student would learn from ordinary training alone.

2026-07-15

Topology, Algebra, and Geometry in Data Science (poster)

Can Model Merging Improve Aggregation in DiLoCo?

Model merging techniques, which aggregate independently finetuned models into one to combine their capabilities, have become a topic of sign… (see more)ificant interest in recent years, with a broad array of methods having been proposed to tackle this problem. Simultaneously, an emerging trend in distributed learning has been the use of methods such as local SGD and DiLoCo, which greatly reduce communication costs by periodically aggregating the independently trained local models. However, these communication-efficient methods have been shown to degrade in performance relative to the FLOP-matched data-parallel gold standard as the number of independent local models grows and as the number of local training steps before global communication is increased. In this work, we draw an explicit analogy between the pseudo-gradient aggregation step in local SGD/DiLoCo and task arithmetic-based model merging, establishing a straightforward way to utilize merging methods in the context of distributed optimization. We then evaluate multiple state-of-the-art model merging methods in this setting and identify one method in particular, Iso-C, as a promising approach for improving DiLoCo. We find that DiLoCo SGD with Iso-C aggregation outperforms not only simple pseudo-gradient averaging but even the momentum-based DiLoCo, despite lacking a momentum mechanism itself. Building on this finding, we propose IsoLoCo, which adapts Iso-C for distributed training by equipping it with Nesterov momentum. Our empirical evaluations on language model pre-training across varying numbers of local workers show that IsoLoCo significantly outperforms DiLoCo, with the gap between them widening as the number of workers increases. This advantage remains present across model sizes and inner step counts, confirming that merging-inspired aggregation is an effective strategy for low-communication distributed training.

2026-07-02

arXiv (preprint)

Gaining Biological Insights through Supervised Data Visualization

Jake S. Rhodes

Adrien Aumon

Sacha Morin

Marc Girard

Catherine Larochelle

Boaz Lahav

Elsa Brunet-Ratnasingham

Wei Zhang

Adele Cutler

Anhong Zhou

Daniel E. Kaufmann

Stephanie Zandee

Alexandre Prat

Kevin R. Moon

Dimensionality reduction-based data visualization is pivotal in comprehending complex biological data. The most common methods, such as PHAT… (see more)E, t-SNE, and UMAP, are unsupervised and therefore reflect the dominant structure in the data, which may be independent of expert-provided labels. Here we introduce a supervised data visualization method called RF-PHATE, which integrates expert knowledge for further exploration of the data. RF-PHATE leverages random forests to capture intricate featurelabel relationships. Extracting information from the forest, RF-PHATE generates low-dimensional visualizations that highlight relevant data relationships while disregarding extraneous features. This approach scales to large datasets and applies to classification and regression. We illustrate RF-PHATE’s prowess through three case studies. In a multiple sclerosis study using longitudinal clinical and imaging data, RF-PHATE unveils a sub-group of patients with non-benign relapsingremitting Multiple Sclerosis, demonstrating its aptitude for time-series data. In the context of Raman spectral data, RF-PHATE effectively showcases the impact of antioxidants on diesel exhaust-exposed lung cells, highlighting its proficiency in noisy environments. Furthermore, RF-PHATE aligns established geometric structures with COVID-19 patient outcomes, enriching interpretability in a hierarchical manner. RF-PHATE bridges expert insights and visualizations, promising knowledge generation. Its adaptability, scalability, and noise tolerance underscore its potential for widespread adoption.

2026-06-29

Nature Computational Science (published)

Path-independent Flow Matching for Multi-parameter Generative Dynamics

Sina Sanjari

Yanlei Zhang

Flow Matching is a powerful framework for learning transport maps between probability distributions. Yet its standard single-parameter formu… (see more)lation is not designed to capture multi-parameter variations where the resulting transport should be path-independent. Path independence is crucial because it ensures that transformations depend only on the initial and target distributions, not on the specific path. In this work, we introduce Path-independent Flow Matching (PiFM), a method for learning vector fields whose induced flows yield path-independent transport between distributions. We show that PiFM generalizes Flow Matching to higher-dimensional parameter domains while enforcing structural conditions that ensure consistency of composed transformations. In addition, we show that, under suitable assumptions, PiFM approximates the Wasserstein barycenter, linking the framework to a notion of distributional interpolation. To enable practical training, we propose a tractable, simulation-free objective that regresses onto multi-parameter conditional probability paths. We showcase empirically that PiFM outperforms other approaches on both synthetic and real world data in interpolating path-independent trajectories and generating desired out of distribution samples.

2026-05-29

SPIGM @ International Conference on Machine Learning (poster)

Meta-Merging by Checkpoint Nowcasting

Albert Manuel Orozco Camacho

Boris Knyazev

Model merging---the direct combination of parameters from independently fine-tuned networks---offers a way to compose task-specific capabili… (see more)ties without retraining or ensemble inference. Existing merge methods are often built from hand-crafted arithmetic or sparsification heuristics, leaving open whether general learned weight-space operators can be repurposed for merging directly. We study this question with NiNo, a pre-trained checkpoint-nowcasting meta-network originally designed to predict near-future training states from short checkpoint histories. We show that pre-trained NiNo can be reused as a data-free pairwise meta-merge operator for independently fine-tuned models. On an 8-task CLIP ViT-B/16 benchmark, NiNo is competitive with strong arithmetic baselines and consistently lands in the same functional region as weight averaging, Task Arithmetic, and TIES. Moreover, NiNo is best on HumanEval in a Qwen3 language extension among the compared merge methods, while extending meta-merge beyond pairs remains an open challenge. These results position learned checkpoint nowcasting as a practical starting point for data-free model merging and motivate future weight-space learners trained for merging explicitly.

2026-05-23

WSS @ International Conference on Machine Learning (poster)

César Miguel Valdez Cordova

scShapeBench: Discovering geometry from high dimensional scRNAseq data

Andrew J. Steindl

João Felipe Rocha

Brian Tshilengi Di Bassinga

Zachary Warren

Matthew Scicluna

Shabarni Gupta

Leire Torices

Daniel Neumann

Timothy J. Mann

Ihuan Gunawan

Dhananjay Bhaskar

John G. Lock

Christine L. Chaffer

Smita Krishnaswamy

High-dimensional point cloud data arise across many scientific domains, especially single-cell biology. The shapes or topologies of these da… (see more)tasets determine the types of information that can be extracted. For example, clustered data supports cell-type identification, trajectory structures support transition analysis, and archetypal structures capture continua of cellular behaviors. Existing analysis pipelines often assume a specific shape. The standard Seurat pipeline combines UMAP visualization with Louvain clustering and therefore assumes clustered data, while tools such as Monocle and SPADE assume tree-like structures, and flow-based models such as MIOFlow and Conditional Flow Matching target trajectories. Choosing which pipeline to apply is therefore often left to bioinformaticians who visually inspect datasets before selecting an analysis strategy. With the rise of agentic AI scientists, automating shape detection is increasingly important for selecting downstream analysis pipelines. To address this problem, we introduce scShapeBench, a benchmark dataset for shape detection containing both synthetic and expert-annotated single-cell datasets. Synthetic datasets are sampled from ground-truth skeleton graphs with controlled variance. Real single-cell datasets are curated from diverse sources and annotated by experts into four categories: clusters, single trajectory, multi-branching, and archetypal. We additionally introduce scReebTower, a baseline method that uses diffusion geometry to extract Reeb graphs and connect visualization with pipeline selection. We provide topology-aware evaluation metrics and compare scReebTower against PAGA and Mapper on synthetic and real data. Our results indicate that scReebTower outperforms existing baselines. Overall, our contributions span benchmarks, evaluation metrics, and a baseline for automated shape detection in single-cell data.

2026-05-11

arXiv (preprint)

Diversity Curves for Graph Representation Learning

Katharina Limbeck

Nadja Häusermann

Martin Carrasco

Bastian Rieck

Graph-level representations are crucial tools for characterising structural differences between graphs. However, comparing graphs with diffe… (see more)rent cardinalities, even when sampled from the same underlying distribution, remains challenging. Unsupervised tasks in particular require interpretable, scalable, and reliable size-aware graph representations. Our work addresses these issues by tracking the structural diversity of a graph across coarsening levels. The resulting graph embeddings, which we denote diversity curves, are interpretable by construction, efficient, and directly comparable across coarsening hierarchies. Specifically, we track the spread of graphs, a novel isometry invariant that is inherently well-suited for encoding the metric diversity and geometry of graphs. We utilise edge contraction coarsening and prove that this improves expressivity, thus leading to more powerful graph-level representations than structural descriptors alone. Demonstrating their utility over a range of baseline methods in practice, we use diversity curves to (i) cluster and visualise simulated graphs across varying sizes, (ii) distinguish the geometry of single-cell graphs, (iii) compare the structure of molecular graph datasets, and (iv) characterise geometric shapes.

2026-05-06

arXiv (preprint)

No Triangulation Without Representation: Generalization in Topological Deep Learning

Johannes S. Schmidt

Martin Carrasco

Ernst Röell

Nello Blaser

Bastian Rieck

Despite an ever-increasing interest in topological deep learning models that target higher-order datasets, there is no consensus on how to e… (see more)valuate such models. This is exacerbated by the fact that topological objects permit operations, such as structural refinements, that are not appropriate for graph data. In this work, we extend MANTRA, a benchmark dataset containing manifold triangulations, to a larger class of manifolds with more diverse homeomorphism types. We show that, unlike prior claims, both graph neural networks (GNNs) and higher-order message passing (HOMP) methods can saturate the benchmark. However, we find that this is contingent on the right representation and feature assignment, emphasizing their importance in baseline models. We thus provide a novel evaluation protocol based on representational diversity and triangulation refinement. Surprisingly, we find no indication that existing models are capable of generalizing beyond the combinatorial structure of the data. This points towards a research gap in developing models that understand topological structure independent of scale. Our work thus provides the necessary scaffolding to evaluate future models and enable the development of topology-aware inductive biases.

2026-05-06

arXiv (preprint)

Can Computational Reducibility Lead to Transferable Models for Graph Combinatorial Optimization?

Michael Perlmutter

A key challenge in deriving unified neural solvers for combinatorial optimization (CO) is efficient generalization of models between a given… (see more) set of tasks to new tasks not used during the initial training process. To address it, we first establish a new model, which uses a GCON module as a form of expressive message passing together with energy-based unsupervised loss functions. This model achieves high performance (often comparable with state-of-the-art results) across multiple CO tasks when trained individually on each task. We then leverage knowledge from the computational reducibility literature to propose pretraining and fine-tuning strategies that transfer effectively (a) between MVC, MIS and MaxClique, and (b) in a multi-task learning setting that additionally incorporates MaxCut, MDS and graph coloring. Additionally, in a leave-one-out, multi-task learning setting, we observe that pretraining on all but one task almost always leads to faster convergence on the remaining task when fine-tuning while avoiding negative transfer. Our findings indicate that learning common representations across multiple graph CO problems is viable through the use of expressive message passing coupled with pretraining strategies that are informed by the polynomial reduction literature, thereby taking an important step towards enabling the development of foundational models for neural CO. We provide an open-source implementation of our work at https://github.com/semihcanturk/COPT-MT .

2026-04-29

International Conference on Machine Learning (accepted)

Geometry-aware graph attention networks to explain single-cell chromatin states and gene expression with SEAGALL

Gabriele Malagoli

Patrick Hanel

Anna Danese

Maria Colomé-Tatché

High-throughput single-cell sequencing is widely used to study cell identity. We present SEAGALL (Single-cell Explainable Geometry-Aware Gra… (see more)ph Attention Learning pipeLine), a deep learning method to quantify the impact of molecular features on cellular phenotype, based on geometry-regularised autoencoders (GRAE) and explainable graph attention networks (X-GAT). The GRAE embeds the data into a latent space to build a reliable cell-cell graph. The GAT is trained to learn the annotations and XAI is used to explain the predictions, unravelling the features driving cell identity. SEAGALL extracts specific and stable signatures from multiple omics experiments, going beyond differential marker genes.

2026-04-22

Genome Biology (published)

Active search generation for nanophotonic design in the small data regime

Vincent Létourneau

Yuri Grinberg

Dan Kushnir

Yanlei Zhang

Dan-Xia Xu

2026-04-09

Machine Learning in Photonics (published)