Portrait of David Rolnick

David Rolnick

Core Academic Member
Canada CIFAR AI Chair
Assistant Professor, McGill University, School of Computer Science
Adjunct Professor, Université de Montréal, Department of Computer Science and Operations Research
Research Topics
AI and Sustainability
AI for Science
Applied Machine Learning
Biodiversity
Building Energy Management Systems
Climate
Climate Change
Climate Change AI
Climate Modeling
Climate Science
Climate Variable Downscaling
Computer Vision
Conservation Technology
Energy Systems
Forest Monitoring
Machine Learning and Climate Change
Machine Learning for Physical Sciences
Machine Learning in Climate Modeling
Machine Learning Theory
Out-of-Distribution (OOD) Detection
Remote Sensing
Satellite Remote Sensing
Time Series Forecasting
Vegetation

Biography

David Rolnick is an assistant professor at McGill University’s School of Computer Science, a core academic member of Mila – Quebec Artificial Intelligence Institute and holds a Canada CIFAR AI Chair. Rolnick’s work focuses on applications of machine learning to help address climate change. He is the co-founder and chair of Climate Change AI, and scientific co-director of Sustainability in the Digital Age. After completing his PhD in applied mathematics at the Massachusetts Institute of Technology (MIT), he was a NSF Mathematical Sciences Postdoctoral Research Fellow, an NSF Graduate Research Fellow and a Fulbright Scholar. He was named to MIT Technology Review’s “35 Innovators Under 35” in 2021.

Current Students

Collaborating researcher
Collaborating Alumni - McGill University
Collaborating researcher - Cambridge University
Co-supervisor :
Postdoctorate - McGill University
Collaborating researcher - McGill University
Collaborating researcher - N/A
Co-supervisor :
PhD - McGill University
Collaborating researcher - Leipzig University
Master's Research - McGill University
Collaborating researcher
Collaborating researcher
Collaborating researcher
Independent visiting researcher - Politecnico di Milano
Independent visiting researcher
Collaborating researcher - Johannes Kepler University
Collaborating researcher - University of Amsterdam
Master's Research - McGill University
PhD - McGill University
PhD - McGill University
Independent visiting researcher - Université de Montréal
Collaborating researcher - Polytechnique Montréal Montréal
Principal supervisor :
Collaborating researcher - University of East Anglia
Collaborating researcher
Collaborating researcher - Columbia university
Postdoctorate - McGill University
Co-supervisor :
Collaborating researcher - University of Waterloo
Co-supervisor :
Collaborating Alumni - Université de Montréal
Master's Research - McGill University
Collaborating researcher - Columbia university
Master's Research - McGill University
Collaborating researcher - University of Tübingen
Independent visiting researcher - Karlsruhe Institute of Technology
Independent visiting researcher
Collaborating researcher - Karlsruhe Institute of Technology
PhD - McGill University
Collaborating Alumni - Université de Montréal
Principal supervisor :
Collaborating researcher
PhD - McGill University
Collaborating researcher - Technical University of Munich

Publications

Improving Molecular Modeling with Geometric GNNs: an Empirical Study
Fragkiskos D. Malliaros
Alexandre AGM Duval
The Butterfly Effect: Tiny Perturbations Cause Neural Network Training to Diverge
Neural network training begins with a chaotic phase in which the network is sensitive to small perturbations, such as those caused by stocha… (see more)stic gradient descent (SGD). This sensitivity can cause identically initialized networks to diverge both in parameter space and functional similarity. However, the exact degree to which networks are sensitive to perturbation, and the sensitivity of networks as they transition out of the chaotic phase, is unclear. To address this uncertainty, we apply a controlled perturbation at a single point in training time and measure its effect on otherwise identical training trajectories. We find that both the
A machine learning pipeline for automated insect monitoring
F. Cunha
M. J. Bunsen
L. Pasi
Maxim Larrivée
Climate change and other anthropogenic factors have led to a catastrophic decline in insects, endangering both biodiversity and the ecosyste… (see more)m services on which human society depends. Data on insect abundance, however, remains woefully inadequate. Camera traps, conventionally used for monitoring terrestrial vertebrates, are now being modified for insects, especially moths. We describe a complete, open-source machine learning-based software pipeline for automated monitoring of moths via camera traps, including object detection, moth/non-moth classification, fine-grained identification of moth species, and tracking individuals. We believe that our tools, which are already in use across three continents, represent the future of massively scalable data collection in entomology.
Climate Variable Downscaling with Conditional Normalizing Flows
Predictions of global climate models typically operate on coarse spatial scales due to the large computational costs of climate simulations.… (see more) This has led to a considerable interest in methods for statistical downscaling, a similar process to super-resolution in the computer vision context, to provide more local and regional climate information. In this work, we apply conditional normalizing flows to the task of climate variable downscaling. We showcase its successful performance on an ERA5 water content dataset for different upsampling factors. Additionally, we show that the method allows us to assess the predictive uncertainty in terms of standard deviation from the fitted conditional distribution mean.
Position: Application-Driven Innovation in Machine Learning
Alán Aspuru-Guzik
Sara Beery
Bistra Dilkina
Priya L. Donti
Marzyeh Ghassemi
Hannah Kerner
Claire Monteleoni
Esther Rolf
Milind Tambe
Adam White
Predicting Species Occurrence Patterns from Partial Observations
Mélisande Teng
To address the interlinked biodiversity and climate crises, we need an understanding of where species occur and how these patterns are chang… (see more)ing. However, observational data on most species remains very limited, and the amount of data available varies greatly between taxonomic groups. We introduce the problem of predicting species occurrence patterns given (a) satellite imagery, and (b) known information on the occurrence of other species. To evaluate algorithms on this task, we introduce SatButterfly, a dataset of satellite images, environmental data and observational data for butterflies, which is designed to pair with the existing SatBird dataset of bird observational data. To address this task, we propose a general model, R-Tran, for predicting species occurrence patterns that enables the use of partial observational data wherever found. We find that R-Tran outperforms other methods in predicting species encounter rates with partial information both within a taxon (birds) and across taxa (birds and butterflies). Our approach opens new perspectives to leveraging insights from species with abundant data to other species with scarce data, by modelling the ecosystems in which they co-occur.
Tackling Climate Change with Machine Learning: Fostering the Maturity of ML Applications for Climate Change
Shiva Madadkhani
Olivia Mendivil Ramos
Millie Chapman
Jesse Dunietz
Dataset Difficulty and the Role of Inductive Bias
Motivated by the goals of dataset pruning and defect identification, a growing body of methods have been developed to score individual examp… (see more)les within a dataset. These methods, which we call"example difficulty scores", are typically used to rank or categorize examples, but the consistency of rankings between different training runs, scoring methods, and model architectures is generally unknown. To determine how example rankings vary due to these random and controlled effects, we systematically compare different formulations of scores over a range of runs and model architectures. We find that scores largely share the following traits: they are noisy over individual runs of a model, strongly correlated with a single notion of difficulty, and reveal examples that range from being highly sensitive to insensitive to the inductive biases of certain model architectures. Drawing from statistical genetics, we develop a simple method for fingerprinting model architectures using a few sensitive examples. These findings guide practitioners in maximizing the consistency of their scores (e.g. by choosing appropriate scoring methods, number of runs, and subsets of examples), and establishes comprehensive baselines for evaluating scores in the future.
Application-Driven Innovation in Machine Learning
Alán Aspuru-Guzik
Sara Beery
Bistra Dilkina
Priya L. Donti
Marzyeh Ghassemi
Hannah Kerner
Claire Monteleoni
Esther Rolf
Milind Tambe
Adam White
As applications of machine learning proliferate, innovative algorithms inspired by specific real-world challenges have become increasingly i… (see more)mportant. Such work offers the potential for significant impact not merely in domains of application but also in machine learning itself. In this paper, we describe the paradigm of application-driven research in machine learning, contrasting it with the more standard paradigm of methods-driven research. We illustrate the benefits of application-driven machine learning and how this approach can productively synergize with methods-driven work. Despite these benefits, we find that reviewing, hiring, and teaching practices in machine learning often hold back application-driven innovation. We outline how these processes may be improved.
Linear Weight Interpolation Leads to Transient Performance Gains
PhAST: Physics-Aware, Scalable, and Task-Specific GNNs for Accelerated Catalyst Design
Mitigating the climate crisis requires a rapid transition towards lower-carbon energy. Catalyst materials play a crucial role in the electro… (see more)chemical reactions involved in numerous industrial processes key to this transition, such as renewable energy storage and electrofuel synthesis. To reduce the energy spent on such activities, we must quickly discover more efficient catalysts to drive electrochemical reactions. Machine learning (ML) holds the potential to efficiently model materials properties from large amounts of data, accelerating electrocatalyst design. The Open Catalyst Project OC20 dataset was constructed to that end. However, ML models trained on OC20 are still neither scalable nor accurate enough for practical applications. In this paper, we propose task-specific innovations applicable to most architectures, enhancing both computational efficiency and accuracy. This includes improvements in (1) the graph creation step, (2) atom representations, (3) the energy prediction head, and (4) the force prediction head. We describe these contributions, referred to as PhAST, and evaluate them thoroughly on multiple architectures. Overall, PhAST improves energy MAE by 4 to 42
Simultaneous linear connectivity of neural networks modulo permutation
Ekansh Sharma
Tom Denton
Daniel M. Roy