Doina Precup

Kushal Arora

PhD - McGill University

Principal supervisor :

Sumana Basu

PhD - McGill University

Co-supervisor :

Adriana Romero Soriano

PhD - McGill University

Élodie Côté-Gauthier Coté-Gauthier

Lynn Cherif

Master's Research - McGill University

Ray Chua

PhD - McGill University

Co-supervisor :

Blake Richards

Wesley Chung

PhD - McGill University

Principal supervisor :

David Meger

Jonathan Colaço Carr

Master's Research - McGill University

Principal supervisor :

Prakash Panangaden

Research Intern - McGill University

Nathan de Lara

Research Intern - McGill University

Manuel Del Verme

PhD - McGill University

Jesse Farebrother

PhD - McGill University

Principal supervisor :

Marc Gendron-Bellemare

PhD - McGill University

Co-supervisor :

David Meger

Will Hua

Master's Research - McGill University

Co-supervisor :

Guy Wolf

Howard Huang

PhD - McGill University

Haque Ishfaq

PhD - McGill University

Mohammad Sami Nur Islam Islam

Research Intern - McGill University

Riashat Islam

PhD - McGill University

Arushi Jain

PhD - McGill University

Master's Research - Université de Montréal

Principal supervisor :

PhD - McGill University

Postdoctorate - McGill University

Elaine Lau

Master's Research - McGill University

Jonathan Lebensold

PhD - McGill University

Sitao Luan

PhD - McGill University

Ray Luo

PhD - McGill University

Principal supervisor :

G McCracken

PhD - McGill University

Jaume Minano Masip

PhD - McGill University

Shahrad Mohammadzadeh

Master's Research - McGill University

Principal supervisor :

Gabriela Moisescu-Pareja

Master's Research - McGill University

Girdhar Neil Girdhar

Collaborating researcher - McGill University

Padideh Nouri

Master's Research - Université de Montréal

Sarath Chandar Anbil Parthipan

Charles Onu

PhD - McGill University

PhD - McGill University

Co-supervisor :

Nate Rahn

PhD - McGill University

Principal supervisor :

Marc Gendron-Bellemare

Janarthanan Rajendran

Postdoctorate - Université de Montréal

Principal supervisor :

Sahand Rezaei-Shoshtari

PhD - McGill University

Co-supervisor :

Mandana Samiei Samiei

PhD - McGill University

Co-supervisor :

Blake Richards

samiemandana@gmail.com

Shishir Sharma

PhD - McGill University

Master's Research - McGill University

Nishanth Anand Vemgal

PhD - McGill University

PhD - McGill University

Priyesh Vijayan

PhD - McGill University

Co-supervisor :

Samira Ebrahimi Kahou

Research Intern - McGill University

Keyu Wang Wang

Research Intern - McGill University

Skipper: Combining Spatial and Temporal Abstraction for Better Generalization

Steve Wen

Undergraduate - McGill University

Shuyuan Zhang

PhD - McGill University

Harry Zhao

PhD - McGill University

Co-supervisor :

Blog Posts

Generic thumbnail for Mila Blog articles.

February 22, 2024

Mingde Harry Zhao

Safa Alver

Harm van Seijen

Romain Laroche

Doina Precup

Yoshua Bengio

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Publications

The Heterophilic Graph Learning Handbook: Benchmarks, Models, Theoretical Analysis, Applications and Challenges

Sitao Luan

Chenqing Hua

Qincheng Lu

Liheng Ma

Lirong Wu

Xinyu Wang

Minkai Xu

Xiao-Wen Chang

Rex Ying

Stan Z. Li

Jian Tang

Guy Wolf

Stefanie Jegelka

Homophily principle, \ie{} nodes with the same labels or similar attributes are more likely to be connected, has been commonly believed to b… (see more)e the main reason for the superiority of Graph Neural Networks (GNNs) over traditional Neural Networks (NNs) on graph-structured data, especially on node-level tasks. However, recent work has identified a non-trivial set of datasets where GNN's performance compared to the NN's is not satisfactory. Heterophily, i.e. low homophily, has been considered the main cause of this empirical observation. People have begun to revisit and re-evaluate most existing graph models, including graph transformer and its variants, in the heterophily scenario across various kinds of graphs, e.g. heterogeneous graphs, temporal graphs and hypergraphs. Moreover, numerous graph-related applications are found to be closely related to the heterophily problem. In the past few years, considerable effort has been devoted to studying and addressing the heterophily issue. In this survey, we provide a comprehensive review of the latest progress on heterophilic graph learning, including an extensive summary of benchmark datasets and evaluation of homophily metrics on synthetic graphs, meticulous classification of the most updated supervised and unsupervised learning methods, thorough digestion of the theoretical analysis on homophily/heterophily, and broad exploration of the heterophily-related applications. Notably, through detailed experiments, we are the first to categorize benchmark heterophilic datasets into three sub-categories: malignant, benign and ambiguous heterophily. Malignant and ambiguous datasets are identified as the real challenging datasets to test the effectiveness of new models on the heterophily challenge. Finally, we propose several challenges and future directions for heterophilic graph representation learning.

2024-07-12

ArXiv (preprint)

Functional Acceleration for Policy Mirror Descent

Veronica Chelu

We apply functional acceleration to the Policy Mirror Descent (PMD) general family of algorithms, which cover a wide range of novel and fund… (see more)amental methods in Reinforcement Learning (RL). Leveraging duality, we propose a momentum-based PMD update. By taking the functional route, our approach is independent of the policy parametrization and applicable to large-scale optimization, covering previous applications of momentum at the level of policy parameters as a special case. We theoretically analyze several properties of this approach and complement with a numerical ablation study, which serves to illustrate the policy optimization dynamics on the value polytope, relative to different algorithmic design choices in this space. We further characterize numerically several features of the problem setting relevant for functional acceleration, and lastly, we investigate the impact of approximation on their learning mechanics.

2024-06-19

ICML.cc/2024/Workshop/ARLET (poster)

More Efficient Randomized Exploration for Reinforcement Learning via Approximate Sampling

Haque Ishfaq

Yixin Tan

Yu Yang

Qingfeng Lan

Jianfeng Lu

A. Rupam Mahmood

Pan Xu

2024-06-18

ArXiv (preprint)

QGFN: Controllable Greediness with Action Values

Elaine Lau

Stephen Zhewen Lu

Ling Pan

Emmanuel Bengio

Generative Flow Networks (GFlowNets; GFNs) are a family of reward/energy-based generative methods for combinatorial objects, capable of gene… (see more)rating diverse and high-utility samples. However, biasing GFNs towards producing high-utility samples is non-trivial. In this work, we leverage connections between GFNs and reinforcement learning (RL) and propose to combine the GFN policy with an action-value estimate,

2024-06-17

ICML.cc/2024/Workshop/SPIGM (poster)

Recurrent Policies Are Not Enough for Continual Reinforcement Learning

Nathan Samuel de Lara

Veronica Chelu

Continual Reinforcement Learning (CRL) aims to develop algorithms that adapt to non-stationary sequences of tasks. A promising recent approa… (see more)ch utilizes Recurrent Neural Networks (RNNs) to learn contextual Markov Decision Process (MDP) embeddings. This enables a reinforcement learning (RL) agent to discern the optimality of actions across diverse tasks. In this study, we examine two critical failure modes in the learning of these contextual MDP embeddings. Specifically, we find that RNNs are prone to catastrophic forgetting, manifesting in two distinct ways: (i) embedding collapse---where agents initially learn a contextual task structure that later collapses to a single task, and (ii) embedding drift---where learning embeddings for new MDPs interferes with embeddings the RNN outputs for previous MDPs in the sequence, leading to suboptimal performance of downstream policy networks conditioned on stale embeddings. We explore the effects of various objective functions and network architectures concerning these failure modes, revealing that one of these modes consistently emerges across different setups.

2024-06-07

rl-conference.cc/RLC/2024/Workshop/ICBINB (poster)

On the Limits of Multi-modal Meta-Learning with Auxiliary Task Modulation Using Conditional Batch Normalization

Jordi Armengol-Estap'e

Vincent Michalski

Ramnath Kumar

Pierre-Luc St-Charles

Samira Ebrahimi Kahou

Few-shot learning aims to learn representations that can tackle novel tasks given a small number of examples. Recent studies show that cross… (see more)-modal learning can improve representations for few-shot classification. More specifically, language is a rich modality that can be used to guide visual learning. In this work, we experiment with a multi-modal architecture for few-shot learning that consists of three components: a classifier, an auxiliary network, and a bridge network. While the classifier performs the main classification task, the auxiliary network learns to predict language representations from the same input, and the bridge network transforms high-level features of the auxiliary network into modulation parameters for layers of the few-shot classifier using conditional batch normalization. The bridge should encourage a form of lightweight semantic alignment between language and vision which could be useful for the classifier. However, after evaluating the proposed approach on two popular few-shot classification benchmarks we find that a) the improvements do not reproduce across benchmarks, and b) when they do, the improvements are due to the additional compute and parameters introduced by the bridge network. We contribute insights and recommendations for future work in multi-modal meta-learning, especially when using language representations.

2024-05-29

ArXiv (preprint)

Partial Models for Building Adaptive Model-Based Reinforcement Learning Agents

Safa Alver

Ali Rahimi-Kalahroudi

In neuroscience, one of the key behavioral tests for determining whether a subject of study exhibits model-based behavior is to study its ad… (see more)aptiveness to local changes in the environment. In reinforcement learning, however, recent studies have shown that modern model-based agents display poor adaptivity to such changes. The main reason for this is that modern agents are typically designed to improve sample efficiency in single task settings and thus do not take into account the challenges that can arise in other settings. In local adaptation settings, one particularly important challenge is in quickly building and maintaining a sufficiently accurate model after a local change. This is challenging for deep model-based agents as their models and replay buffers are monolithic structures lacking distribution shift handling capabilities. In this study, we show that the conceptually simple idea of partial models can allow deep model-based agents to overcome this challenge and thus allow for building locally adaptive model-based agents. By modeling the different parts of the state space through different models, the agent can not only maintain a model that is accurate across the state space, but it can also quickly adapt it in the presence of a local change in the environment. We demonstrate this by showing that the use of partial models in agents such as deep Dyna-Q, PlaNet and Dreamer can allow for them to effectively adapt to the local changes in their environments.

2024-05-27

ArXiv (preprint)

Adaptive Exploration for Data-Efficient General Value Function Evaluations

Arushi Jain

Josiah P. Hanna

General Value Functions (GVFs) (Sutton et al, 2011) are an established way to represent predictive knowledge in reinforcement learning. Each… (see more) GVF computes the expected return for a given policy, based on a unique pseudo-reward. Multiple GVFs can be estimated in parallel using off-policy learning from a single stream of data, often sourced from a fixed behavior policy or pre-collected dataset. This leaves an open question: how can behavior policy be chosen for data-efficient GVF learning? To address this gap, we propose GVFExplorer, which aims at learning a behavior policy that efficiently gathers data for evaluating multiple GVFs in parallel. This behavior policy selects actions in proportion to the total variance in the return across all GVFs, reducing the number of environmental interactions. To enable accurate variance estimation, we use a recently proposed temporal-difference-style variance estimator. We prove that each behavior policy update reduces the mean squared error in the summed predictions over all GVFs. We empirically demonstrate our method's performance in both tabular representations and nonlinear function approximation.

2024-05-13

ArXiv (preprint)

Generative Active Learning for the Search of Small-molecule Protein Binders

Maksym Korablyov

Cheng-Hao Liu

Moksh J. Jain

Almer M. van der Sloot

Eric Jolicoeur

Edward Ruediger

Andrei Cristian Nica

Emmanuel Bengio

Kostiantyn Lapchevskyi

Daniel St-Cyr

Doris Alexandra Schuetz

Victor I Butoi

Jarrid Rector-Brooks

Simon R. Blackburn

Leo Feng

Hadi Nekoei

Sai Krishna Gottipati

Priyesh Vijayan

Prateek Gupta

Ladislav Rampášek … (see 14 more)

Sasikanth Avancha

Pierre-Luc Bacon

William L. Hamilton

Brooks Paige

Sanchit Misra

Stanisław Jastrzębski

Bharat Kaul

Jos'e Miguel Hern'andez-Lobato

Marwin Segler

Michael M. Bronstein

Anne Marinier

Mike Tyers

Yoshua Bengio

Despite substantial progress in machine learning for scientific discovery in recent years, truly de novo design of small molecules which exh… (see more)ibit a property of interest remains a significant challenge. We introduce LambdaZero, a generative active learning approach to search for synthesizable molecules. Powered by deep reinforcement learning, LambdaZero learns to search over the vast space of molecules to discover candidates with a desired property. We apply LambdaZero with molecular docking to design novel small molecules that inhibit the enzyme soluble Epoxide Hydrolase 2 (sEH), while enforcing constraints on synthesizability and drug-likeliness. LambdaZero provides an exponential speedup in terms of the number of calls to the expensive molecular docking oracle, and LambdaZero de novo designed molecules reach docking scores that would otherwise require the virtual screening of a hundred billion molecules. Importantly, LambdaZero discovers novel scaffolds of synthesizable, drug-like inhibitors for sEH. In in vitro experimental validation, a series of ligands from a generated quinazoline-based scaffold were synthesized, and the lead inhibitor N-(4,6-di(pyrrolidin-1-yl)quinazolin-2-yl)-N-methylbenzamide (UM0152893) displayed sub-micromolar enzyme inhibition of sEH.

2024-05-02

ArXiv (preprint)

Code as Reward: Empowering Reinforcement Learning with VLMs

David Venuto

Mohammad Sami Nur Islam

Martin Klissarov

Sherry Yang

Ankit Anand

2024-05-01

ICML.cc/2024/Conference (spotlight)

Gintare Karolina Dziugaite

Mixtures of Experts Unlock Parameter Scaling for Deep RL

Johan Samir Obando Ceron

Ghada Sokar

Timon Willi

Clare Lyle

Jesse Farebrother

Jakob Nicolaus Foerster

Pablo Samuel Castro

The recent rapid progress in (self) supervised learning models is in large part predicted by empirical scaling laws: a model's performance s… (see more)cales proportionally to its size. Analogous scaling laws remain elusive for reinforcement learning domains, however, where increasing the parameter count of a model often hurts its final performance. In this paper, we demonstrate that incorporating Mixture-of-Expert (MoE) modules, and in particular Soft MoEs (Puigcerver et al., 2023), into value-based networks results in more parameter-scalable models, evidenced by substantial performance increases across a variety of training regimes and model sizes. This work thus provides strong empirical evidence towards developing scaling laws for reinforcement learning.

2024-05-01

ICML.cc/2024/Conference (spotlight)

Nash Learning from Human Feedback

Remi Munos

Michal Valko

Daniele Calandriello

Mohammad Gheshlaghi Azar

Mark Rowland

Zhaohan Daniel Guo

Yunhao Tang

Matthieu Geist

Thomas Mesnard

Côme Fiegel

Andrea Michi

Marco Selvi

Sertan Girgin

Nikola Momchev

Olivier Bachem

Daniel J Mankowitz

Bilal Piot

Reinforcement learning from human feedback (RLHF) has emerged as the main paradigm for aligning large language models (LLMs) with human pref… (see more)erences. Traditionally, RLHF involves the initial step of learning a reward model from pairwise human feedback, i.e., expressed as preferences between pairs of text generations. Subsequently, the LLM’s policy is fine-tuned to maximize the reward through a reinforcement learning algorithm. In this study, we introduce an alternative pipeline for the fine-tuning of LLMs using pairwise human feedback. Our approach entails the initial learning of a pairwise preference model, which is conditioned on two inputs (instead of a single input in the case of a reward model) given a prompt, followed by the pursuit of a policy that consistently generates responses preferred over those generated by any competing policy, thus defining the Nash equilibrium of this preference model. We term this approach Nash learning from human feedback (NLHF). In the context of a tabular policy representation, we present a novel algorithmic solution, Nash-MD, founded on the principles of mirror descent. This algorithm produces a sequence of policies, with the last iteration converging to the regularized Nash equilibrium. Additionally, we explore parametric representations of policies and introduce gradient descent algorithms for deep-learning architectures. We illustrate the effectiveness of our approach by presenting experimental results on a text summarization task. We believe NLHF offers a compelling avenue for fine-tuning LLMs and enhancing the alignment of LLMs with human preferences.

2024-05-01

ICML.cc/2024/Conference (spotlight)