David Rolnick

Alexandre Duval, Victor Schmidt, Alex Hernandez Garcia et al. · mila

Applications of machine learning techniques for materials modeling typically involve functions known to be equivariant or invariant to specific symmetries. While graph neural networks (GNNs) have proven successful in such tasks, they enforce symmetries via the model architecture, which often reduces their expressivity, scalability and comprehensibility. In this paper, we introduce (1) a flexible framework relying on stochastic frame-averaging (SFA) to make any model E(3)-equivariant or invariant through data transformations. (2) FAENet: a simple, fast and expressive GNN, optimized for SFA, that processes geometric information without any symmetrypreserving design constraints. We prove the validity of our method theoretically and empirically demonstrate its superior accuracy and computational scalability in materials modeling on the OC20 dataset (S2EF, IS2RE) as well as common molecular modeling tasks (QM9, QM7-X). A package implementation is available at https://faenet.readthedocs.io.

Arthur Ouaknine, Teja Kattenborn, Etienne Laliberté et al.

Forests play a crucial role in Earth's system processes and provide a suite of social and economic ecosystem services, but are significantly impacted by human activities, leading to a pronounced disruption of the equilibrium within ecosystems. Advancing forest monitoring worldwide offers advantages in mitigating human impacts and enhancing our comprehension of forest composition, alongside the effects of climate change. While statistical modeling has traditionally found applications in forest biology, recent strides in machine learning and computer vision have reached important milestones using remote sensing data, such as tree species identification, tree crown segmentation and forest biomass assessments. For this, the significance of open access data remains essential in enhancing such data-driven algorithms and methodologies. Here, we provide a comprehensive and extensive overview of 86 open access forest datasets across spatial scales, encompassing inventories, ground-based, aerial-based, satellite-based recordings, and country or world maps. These datasets are grouped in OpenForest, a dynamic catalogue open to contributions that strives to reference all available open access forest datasets. Moreover, in the context of these datasets, we aim to inspire research in machine learning applied to forest biology by establishing connections between contemporary topics, perspectives and challenges inherent in both domains. We hope to encourage collaborations among scientists, fostering the sharing and exploration of diverse datasets through the application of machine learning methods for large-scale forest monitoring. OpenForest is available at https://github.com/RolnickLab/OpenForest .

Paula Harder, Alex Hernandez-Garcia, Venkatesh Ramesh et al. · mila

The availability of reliable, high-resolution climate and weather data is important to inform long-term decisions on climate adaptation and mitigation and to guide rapid responses to extreme events. Forecasting models are limited by computational costs and, therefore, often generate coarse-resolution predictions. Statistical downscaling, including super-resolution methods from deep learning, can provide an efficient method of upsampling low-resolution data. However, despite achieving visually compelling results in some cases, such models frequently violate conservation laws when predicting physical variables. In order to conserve physical quantities, here we introduce methods that guarantee statistical constraints are satisfied by a deep learning downscaling model, while also improving their performance according to traditional metrics. We compare different constraining approaches and demonstrate their applicability across different neural architectures as well as a variety of climate and weather data sets. Besides enabling faster and more accurate climate predictions through downscaling, we also show that our novel methodologies can improve super-resolution for satellite data and natural images data sets.

Alexandre Duval, Victor Schmidt, Santiago Miret et al. · mila

Mitigating the climate crisis requires a rapid transition towards lower-carbon energy. Catalyst materials play a crucial role in the electrochemical 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$\%$ while dividing compute time by 3 to 8$\times$ depending on the targeted task/model. PhAST also enables CPU training, leading to 40$\times$ speedups in highly parallelized settings. Python package: \url{https://phast.readthedocs.io}.

Julia Kaltenborn, Charlotte E. E. Lange, Venkatesh Ramesh et al. · mila

Climate models have been key for assessing the impact of climate change and simulating future climate scenarios. The machine learning (ML) community has taken an increased interest in supporting climate scientists' efforts on various tasks such as climate model emulation, downscaling, and prediction tasks. Many of those tasks have been addressed on datasets created with single climate models. However, both the climate science and ML communities have suggested that to address those tasks at scale, we need large, consistent, and ML-ready climate model datasets. Here, we introduce ClimateSet, a dataset containing the inputs and outputs of 36 climate models from the Input4MIPs and CMIP6 archives. In addition, we provide a modular dataset pipeline for retrieving and preprocessing additional climate models and scenarios. We showcase the potential of our dataset by using it as a benchmark for ML-based climate model emulation. We gain new insights about the performance and generalization capabilities of the different ML models by analyzing their performance across different climate models. Furthermore, the dataset can be used to train an ML emulator on several climate models instead of just one. Such a "super emulator" can quickly project new climate change scenarios, complementing existing scenarios already provided to policymakers. We believe ClimateSet will create the basis needed for the ML community to tackle climate-related tasks at scale.

Maximilian Mueller, Tiffany Vlaar, David Rolnick et al.

Sharpness-aware minimization (SAM) was proposed to reduce sharpness of minima and has been shown to enhance generalization performance in various settings. In this work we show that perturbing only the affine normalization parameters (typically comprising 0.1% of the total parameters) in the adversarial step of SAM can outperform perturbing all of the parameters.This finding generalizes to different SAM variants and both ResNet (Batch Normalization) and Vision Transformer (Layer Normalization) architectures. We consider alternative sparse perturbation approaches and find that these do not achieve similar performance enhancement at such extreme sparsity levels, showing that this behaviour is unique to the normalization layers. Although our findings reaffirm the effectiveness of SAM in improving generalization performance, they cast doubt on whether this is solely caused by reduced sharpness.

Giancarlo Kerg, Sarthak Mittal, David Rolnick et al.

Current deep learning approaches have shown good in-distribution generalization performance, but struggle with out-of-distribution generalization. This is especially true in the case of tasks involving abstract relations like recognizing rules in sequences, as we find in many intelligence tests. Recent work has explored how forcing relational representations to remain distinct from sensory representations, as it seems to be the case in the brain, can help artificial systems. Building on this work, we further explore and formalize the advantages afforded by 'partitioned' representations of relations and sensory details, and how this inductive bias can help recompose learned relational structure in newly encountered settings. We introduce a simple architecture based on similarity scores which we name Compositional Relational Network (CoRelNet). Using this model, we investigate a series of inductive biases that ensure abstract relations are learned and represented distinctly from sensory data, and explore their effects on out-of-distribution generalization for a series of relational psychophysics tasks. We find that simple architectural choices can outperform existing models in out-of-distribution generalization. Together, these results show that partitioning relational representations from other information streams may be a simple way to augment existing network architectures' robustness when performing out-of-distribution relational computations.

Ayush Prasad, Paula Harder, Qidong Yang et al. · mila

Climate downscaling, the process of generating high-resolution climate data from low-resolution simulations, is essential for understanding and adapting to climate change at regional and local scales. Deep learning approaches have proven useful in tackling this problem. However, existing studies usually focus on training models for one specific task, location and variable, which are therefore limited in their generalizability and transferability. In this paper, we evaluate the efficacy of training deep learning downscaling models on multiple diverse climate datasets to learn more robust and transferable representations. We evaluate the effectiveness of architectures zero-shot transferability using CNNs, Fourier Neural Operators (FNOs), and vision Transformers (ViTs). We assess the spatial, variable, and product transferability of downscaling models experimentally, to understand the generalizability of these different architecture types.

Jose González-Abad, Álex Hernández-García, Paula Harder et al. · mila

Global Climate Models (GCMs) are the primary tool to simulate climate evolution and assess the impacts of climate change. However, they often operate at a coarse spatial resolution that limits their accuracy in reproducing local-scale phenomena. Statistical downscaling methods leveraging deep learning offer a solution to this problem by approximating local-scale climate fields from coarse variables, thus enabling regional GCM projections. Typically, climate fields of different variables of interest are downscaled independently, resulting in violations of fundamental physical properties across interconnected variables. This study investigates the scope of this problem and, through an application on temperature, lays the foundation for a framework introducing multi-variable hard constraints that guarantees physical relationships between groups of downscaled climate variables.

Gabriel Tseng, Ruben Cartuyvels, Ivan Zvonkov et al.

Machine learning methods for satellite data have a range of societally relevant applications, but labels used to train models can be difficult or impossible to acquire. Self-supervision is a natural solution in settings with limited labeled data, but current self-supervised models for satellite data fail to take advantage of the characteristics of that data, including the temporal dimension (which is critical for many applications, such as monitoring crop growth) and availability of data from many complementary sensors (which can significantly improve a model's predictive performance). We present Presto (the Pretrained Remote Sensing Transformer), a model pre-trained on remote sensing pixel-timeseries data. By designing Presto specifically for remote sensing data, we can create a significantly smaller but performant model. Presto excels at a wide variety of globally distributed remote sensing tasks and performs competitively with much larger models while requiring far less compute. Presto can be used for transfer learning or as a feature extractor for simple models, enabling efficient deployment at scale.

Setareh Cohan, Nam Hee Kim, David Rolnick et al.

Policies produced by deep reinforcement learning are typically characterised by their learning curves, but they remain poorly understood in many other respects. ReLU-based policies result in a partitioning of the input space into piecewise linear regions. We seek to understand how observed region counts and their densities evolve during deep reinforcement learning using empirical results that span a range of continuous control tasks and policy network dimensions. Intuitively, we may expect that during training, the region density increases in the areas that are frequently visited by the policy, thereby affording fine-grained control. We use recent theoretical and empirical results for the linear regions induced by neural networks in supervised learning settings for grounding and comparison of our results. Empirically, we find that the region density increases only moderately throughout training, as measured along fixed trajectories coming from the final policy. However, the trajectories themselves also increase in length during training, and thus the region densities decrease as seen from the perspective of the current trajectory. Our findings suggest that the complexity of deep reinforcement learning policies does not principally emerge from a significant growth in the complexity of functions observed on-and-around trajectories of the policy.

Alexandra Sasha Luccioni, David Rolnick

ImageNet-1k is a dataset often used for benchmarking machine learning (ML) models and evaluating tasks such as image recognition and object detection. Wild animals make up 27% of ImageNet-1k but, unlike classes representing people and objects, these data have not been closely scrutinized. In the current paper, we analyze the 13,450 images from 269 classes that represent wild animals in the ImageNet-1k validation set, with the participation of expert ecologists. We find that many of the classes are ill-defined or overlapping, and that 12% of the images are incorrectly labeled, with some classes having >90% of images incorrect. We also find that both the wildlife-related labels and images included in ImageNet-1k present significant geographical and cultural biases, as well as ambiguities such as artificial animals, multiple species in the same image, or the presence of humans. Our findings highlight serious issues with the extensive use of this dataset for evaluating ML systems, the use of such algorithms in wildlife-related tasks, and more broadly the ways in which ML datasets are commonly created and curated.

Venkatesh Ramesh, Arthur Ouaknine, David Rolnick · mila

Earth's forests play an important role in the fight against climate change, and are in turn negatively affected by it. Effective monitoring of different tree species is essential to understanding and improving the health and biodiversity of forests. In this work, we address the challenge of tree species identification by performing semantic segmentation of trees using an aerial image dataset spanning over a year. We compare models trained on single images versus those trained on time series to assess the impact of tree phenology on segmentation performances. We also introduce a simple convolutional block for extracting spatio-temporal features from image time series, enabling the use of popular pretrained backbones and methods. We leverage the hierarchical structure of tree species taxonomy by incorporating a custom loss function that refines predictions at three levels: species, genus, and higher-level taxa. Our findings demonstrate the superiority of our methodology in exploiting the time series modality and confirm that enriching labels using taxonomic information improves the semantic segmentation performance.

Mélisande Teng, Amna Elmustafa, Benjamin Akera et al.

Biodiversity is declining at an unprecedented rate, impacting ecosystem services necessary to ensure food, water, and human health and well-being. Understanding the distribution of species and their habitats is crucial for conservation policy planning. However, traditional methods in ecology for species distribution models (SDMs) generally focus either on narrow sets of species or narrow geographical areas and there remain significant knowledge gaps about the distribution of species. A major reason for this is the limited availability of data traditionally used, due to the prohibitive amount of effort and expertise required for traditional field monitoring. The wide availability of remote sensing data and the growing adoption of citizen science tools to collect species observations data at low cost offer an opportunity for improving biodiversity monitoring and enabling the modelling of complex ecosystems. We introduce a novel task for mapping bird species to their habitats by predicting species encounter rates from satellite images, and present SatBird, a satellite dataset of locations in the USA with labels derived from presence-absence observation data from the citizen science database eBird, considering summer (breeding) and winter seasons. We also provide a dataset in Kenya representing low-data regimes. We additionally provide environmental data and species range maps for each location. We benchmark a set of baselines on our dataset, including SOTA models for remote sensing tasks. SatBird opens up possibilities for scalably modelling properties of ecosystems worldwide.

J. Elisenda Grigsby, Kathryn Lindsey, David Rolnick

The parameter space for any fixed architecture of feedforward ReLU neural networks serves as a proxy during training for the associated class of functions - but how faithful is this representation? It is known that many different parameter settings can determine the same function. Moreover, the degree of this redundancy is inhomogeneous: for some networks, the only symmetries are permutation of neurons in a layer and positive scaling of parameters at a neuron, while other networks admit additional hidden symmetries. In this work, we prove that, for any network architecture where no layer is narrower than the input, there exist parameter settings with no hidden symmetries. We also describe a number of mechanisms through which hidden symmetries can arise, and empirically approximate the functional dimension of different network architectures at initialization. These experiments indicate that the probability that a network has no hidden symmetries decreases towards 0 as depth increases, while increasing towards 1 as width and input dimension increase.

Alvaro Carbonero, Alexandre Duval, Victor Schmidt et al.

The use of machine learning for material property prediction and discovery has traditionally centered on graph neural networks that incorporate the geometric configuration of all atoms. However, in practice not all this information may be readily available, e.g.~when evaluating the potentially unknown binding of adsorbates to catalyst. In this paper, we investigate whether it is possible to predict a system's relaxed energy in the OC20 dataset while ignoring the relative position of the adsorbate with respect to the electro-catalyst. We consider SchNet, DimeNet++ and FAENet as base architectures and measure the impact of four modifications on model performance: removing edges in the input graph, pooling independent representations, not sharing the backbone weights and using an attention mechanism to propagate non-geometric relative information. We find that while removing binding site information impairs accuracy as expected, modified models are able to predict relaxed energies with remarkably decent MAE. Our work suggests future research directions in accelerated materials discovery where information on reactant configurations can be reduced or altogether omitted.

Gaurav Iyer, Boris Hanin, David Rolnick

Training a neural network requires choosing a suitable learning rate, which involves a trade-off between speed and effectiveness of convergence. While there has been considerable theoretical and empirical analysis of how large the learning rate can be, most prior work focuses only on late-stage training. In this work, we introduce the maximal initial learning rate $η^{\ast}$ - the largest learning rate at which a randomly initialized neural network can successfully begin training and achieve (at least) a given threshold accuracy. Using a simple approach to estimate $η^{\ast}$, we observe that in constant-width fully-connected ReLU networks, $η^{\ast}$ behaves differently from the maximum learning rate later in training. Specifically, we find that $η^{\ast}$ is well predicted as a power of depth $\times$ width, provided that (i) the width of the network is sufficiently large compared to the depth, and (ii) the input layer is trained at a relatively small learning rate. We further analyze the relationship between $η^{\ast}$ and the sharpness $λ_{1}$ of the network at initialization, indicating they are closely though not inversely related. We formally prove bounds for $λ_{1}$ in terms of depth $\times$ width that align with our empirical results.

Ali Ramlaoui, Théo Saulus, Basile Terver et al.

Rapid advancements in machine learning (ML) are transforming materials science by significantly speeding up material property calculations. However, the proliferation of ML approaches has made it challenging for scientists to keep up with the most promising techniques. This paper presents an empirical study on Geometric Graph Neural Networks for 3D atomic systems, focusing on the impact of different (1) canonicalization methods, (2) graph creation strategies, and (3) auxiliary tasks, on performance, scalability and symmetry enforcement. Our findings and insights aim to guide researchers in selecting optimal modeling components for molecular modeling tasks.

Paula Harder, Christian Lessig, Matthew Chantry et al.

Deep learning offers promising capabilities for the statistical downscaling of climate and weather forecasts, with generative approaches showing particular success in capturing fine-scale precipitation patterns. However, most existing models are region-specific, and their ability to generalize to unseen geographic areas remains largely unexplored. In this study, we evaluate the generalization performance of generative downscaling models across diverse regions. Using a global framework, we employ ERA5 reanalysis data as predictors and IMERG precipitation estimates at $0.1^\circ$ resolution as targets. A hierarchical location-based data split enables a systematic assessment of model performance across 15 regions around the world.

Christina Winkler, David Rolnick

This study investigates how conditional normalizing flows can be applied to remote sensing data products in climate science for spatio-temporal prediction. The method is chosen due to its desired properties such as exact likelihood computation, predictive uncertainty estimation and efficient inference and sampling which facilitates faster exploration of climate scenarios. Experimental findings reveal that the conditioned spatio-temporal flow surpasses both deterministic and stochastic baselines in prolonged rollout scenarios. It exhibits stable extrapolation beyond the training time horizon for extended rollout durations. These findings contribute valuable insights to the field of spatio-temporal modeling, with potential applications spanning diverse scientific disciplines.

Sulagna Saha, Arthur Ouaknine, Etienne Laliberté et al.

Accurate classification of tropical tree species from unoccupied aerial vehicle (UAV) imagery remains challenging due to high species diversity and strong visual similarity among species at typical image resolutions (centimeters per pixel). In contrast, models trained on close-up citizen science photographs captured with smartphones achieve strong plant species classification performance. Recent advances in UAV data acquisition now enable the collection of close-up images that are spatially registered with top-view aerial imagery and approach the level of visual detail found in smartphone photographs, with the trade-off that such high-resolution photos cannot be acquired for many trees. In this work, we evaluate the performance of existing methods using paired top-view and close-up UAV imagery collected in a species-rich tropical forest. Through fine-tuning experiments, we quantify the performance gap between vision foundation models and in-domain generalist plant recognition models across both image types (high-resolution close-up versus coarser-resolution top-view imagery). We show that classification performance is consistently higher on close-up images than on top-view aerial imagery, and that this performance gap widens for rare species. Finally, we propose that self-supervised representation alignment across these two spatial scales offers a promising approach for integrating fine-grained visual information into canopy-level species classification models based on top-view UAV imagery. Leveraging high-resolution close-up UAV imagery to enhance canopy-level species classification could substantially improve large-scale monitoring of tropical forest biodiversity.

Eya Cherif, Arthur Ouaknine, Luke A. Brown et al. · mila

Plant traits such as leaf carbon content and leaf mass are essential variables in the study of biodiversity and climate change. However, conventional field sampling cannot feasibly cover trait variation at ecologically meaningful spatial scales. Machine learning represents a valuable solution for plant trait prediction across ecosystems, leveraging hyperspectral data from remote sensing. Nevertheless, trait prediction from hyperspectral data is challenged by label scarcity and substantial domain shifts (\eg across sensors, ecological distributions), requiring robust cross-domain methods. Here, we present GreenHyperSpectra, a pretraining dataset encompassing real-world cross-sensor and cross-ecosystem samples designed to benchmark trait prediction with semi- and self-supervised methods. We adopt an evaluation framework encompassing in-distribution and out-of-distribution scenarios. We successfully leverage GreenHyperSpectra to pretrain label-efficient multi-output regression models that outperform the state-of-the-art supervised baseline. Our empirical analyses demonstrate substantial improvements in learning spectral representations for trait prediction, establishing a comprehensive methodological framework to catalyze research at the intersection of representation learning and plant functional traits assessment. All code and data are available at: https://github.com/echerif18/HyspectraSSL.

Jannik Endres, Etienne Laliberté, David Rolnick et al.

Accurate estimation of forest biomass, a major carbon sink, relies heavily on tree-level traits such as height and species. Unoccupied Aerial Vehicles (UAVs) capturing high-resolution imagery from a single RGB camera offer a cost-effective and scalable approach for mapping and measuring individual trees. We introduce BIRCH-Trees, the first benchmark for individual tree height and species estimation from tree-centered UAV images, spanning three datasets: temperate forests, tropical forests, and boreal plantations. We also present DINOvTree, a unified approach using a Vision Foundation Model (VFM) backbone with task-specific heads for simultaneous height and species prediction. Through extensive evaluations on BIRCH-Trees, we compare DINOvTree against commonly used vision methods, including VFMs, as well as biological allometric equations. We find that DINOvTree achieves top overall results with accurate height predictions and competitive classification accuracy while using only 54% to 58% of the parameters of the second-best approach.

Arjun Rao, Ruth Crasto, Tessa Ooms et al.

Geographic data is fundamentally local. Disease outbreaks cluster in population centers, ecological patterns emerge along coastlines, and economic activity concentrates within country borders. Machine learning models that encode geographic location, however, distribute representational capacity uniformly across the globe, struggling at the fine-grained resolutions that localized applications require. We propose a geographic location encoder built from spherical Slepian functions that concentrate representational capacity inside a region-of-interest and scale to high resolutions without extensive computational demands. For settings requiring global context, we present a hybrid Slepian-Spherical Harmonic encoder that efficiently bridges the tradeoff between local-global performance, while retaining desirable properties such as pole-safety and spherical-surface-distance preservation. Across five tasks spanning classification, regression, and image-augmented prediction, Slepian encodings outperform baselines and retain performance advantages across a wide range of neural network architectures.

Aditya Jain, Fagner Cunha, Michael Bunsen et al.

Climate change and other anthropogenic factors have led to a catastrophic decline in insects, endangering both biodiversity and the ecosystem 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.

Salva Rühling Cachay, Venkatesh Ramesh, Jason N. S. Cole et al.

Numerical simulations of Earth's weather and climate require substantial amounts of computation. This has led to a growing interest in replacing subroutines that explicitly compute physical processes with approximate machine learning (ML) methods that are fast at inference time. Within weather and climate models, atmospheric radiative transfer (RT) calculations are especially expensive. This has made them a popular target for neural network-based emulators. However, prior work is hard to compare due to the lack of a comprehensive dataset and standardized best practices for ML benchmarking. To fill this gap, we build a large dataset, ClimART, with more than \emph{10 million samples from present, pre-industrial, and future climate conditions}, based on the Canadian Earth System Model. ClimART poses several methodological challenges for the ML community, such as multiple out-of-distribution test sets, underlying domain physics, and a trade-off between accuracy and inference speed. We also present several novel baselines that indicate shortcomings of datasets and network architectures used in prior work. Download instructions, baselines, and code are available at: https://github.com/RolnickLab/climart

David Rolnick, Alan Aspuru-Guzik, Sara Beery et al. · mit

As applications of machine learning proliferate, innovative algorithms inspired by specific real-world challenges have become increasingly important. 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.

Nikolaos Ioannis Bountos, Arthur Ouaknine, Ioannis Papoutsis et al.

Forests are vital to ecosystems, supporting biodiversity and essential services, but are rapidly changing due to land use and climate change. Understanding and mitigating negative effects requires parsing data on forests at global scale from a broad array of sensory modalities, and using them in diverse forest monitoring applications. Such diversity in data and applications can be effectively addressed through the development of a large, pre-trained foundation model that serves as a versatile base for various downstream tasks. However, remote sensing modalities, which are an excellent fit for several forest management tasks, are particularly challenging considering the variation in environmental conditions, object scales, image acquisition modes, spatio-temporal resolutions, etc. With that in mind, we present the first unified Forest Monitoring Benchmark (FoMo-Bench), carefully constructed to evaluate foundation models with such flexibility. FoMo-Bench consists of 15 diverse datasets encompassing satellite, aerial, and inventory data, covering a variety of geographical regions, and including multispectral, red-green-blue, synthetic aperture radar and LiDAR data with various temporal, spatial and spectral resolutions. FoMo-Bench includes multiple types of forest-monitoring tasks, spanning classification, segmentation, and object detection. To enhance task and geographic diversity in FoMo-Bench, we introduce TalloS, a global dataset combining satellite imagery with ground-based annotations for tree species classification across 1,000+ categories and hierarchical taxonomic levels. Finally, we propose FoMo-Net, a pre-training framework to develop foundation models with the capacity to process any combination of commonly used modalities and spectral bands in remote sensing.

Devin Kwok, Nikhil Anand, Jonathan Frankle et al.

Motivated by the goals of dataset pruning and defect identification, a growing body of methods have been developed to score individual examples 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.

Ekansh Sharma, Devin Kwok, Tom Denton et al.

Neural networks typically exhibit permutation symmetries which contribute to the non-convexity of the networks' loss landscapes, since linearly interpolating between two permuted versions of a trained network tends to encounter a high loss barrier. Recent work has argued that permutation symmetries are the only sources of non-convexity, meaning there are essentially no such barriers between trained networks if they are permuted appropriately. In this work, we refine these arguments into three distinct claims of increasing strength. We show that existing evidence only supports "weak linear connectivity"-that for each pair of networks belonging to a set of SGD solutions, there exist (multiple) permutations that linearly connect it with the other networks. In contrast, the claim "strong linear connectivity"-that for each network, there exists one permutation that simultaneously connects it with the other networks-is both intuitively and practically more desirable. This stronger claim would imply that the loss landscape is convex after accounting for permutation, and enable linear interpolation between three or more independently trained models without increased loss. In this work, we introduce an intermediate claim-that for certain sequences of networks, there exists one permutation that simultaneously aligns matching pairs of networks from these sequences. Specifically, we discover that a single permutation aligns sequences of iteratively trained as well as iteratively pruned networks, meaning that two networks exhibit low loss barriers at each step of their optimization and sparsification trajectories respectively. Finally, we provide the first evidence that strong linear connectivity may be possible under certain conditions, by showing that barriers decrease with increasing network width when interpolating among three networks.

Gabriel Tseng, Anthony Fuller, Marlena Reil et al.

We introduce a highly multimodal transformer to represent many remote sensing modalities - multispectral optical, synthetic aperture radar, elevation, weather, pseudo-labels, and more - across space and time. These inputs are useful for diverse remote sensing tasks, such as crop mapping and flood detection. However, learning shared representations of remote sensing data is challenging, given the diversity of relevant data modalities, and because objects of interest vary massively in scale, from small boats (1-2 pixels and fast) to glaciers (thousands of pixels and slow). We present a novel self-supervised learning algorithm that extracts multi-scale features across a flexible set of input modalities through masked modeling. Our dual global and local contrastive losses differ in their targets (deep representations vs. shallow input projections) and masking strategies (structured vs. not). Our Galileo is a single generalist model that outperforms SoTA specialist models for satellite images and pixel time series across eleven benchmarks and multiple tasks.

Julien Boussard, Chandni Nagda, Julia Kaltenborn et al.

Climate models, such as Earth system models (ESMs), are crucial for simulating future climate change based on projected Shared Socioeconomic Pathways (SSP) greenhouse gas emissions scenarios. While ESMs are sophisticated and invaluable, machine learning-based emulators trained on existing simulation data can project additional climate scenarios much faster and are computationally efficient. However, they often lack generalizability and interpretability. This work delves into the potential of causal representation learning, specifically the \emph{Causal Discovery with Single-parent Decoding} (CDSD) method, which could render climate model emulation efficient \textit{and} interpretable. We evaluate CDSD on multiple climate datasets, focusing on emissions, temperature, and precipitation. Our findings shed light on the challenges, limitations, and promise of using CDSD as a stepping stone towards more interpretable and robust climate model emulation.

Sebastian Hickman, Ilija Trajkovic, Julia Kaltenborn et al.

Traditional models of climate change use complex systems of coupled equations to simulate physical processes across the Earth system. These simulations are highly computationally expensive, limiting our predictions of climate change and analyses of its causes and effects. Machine learning has the potential to quickly emulate data from climate models, but current approaches are not able to incorporate physically-based causal relationships. Here, we develop an interpretable climate model emulator based on causal representation learning. We derive a novel approach including a Bayesian filter for stable long-term autoregressive emulation. We demonstrate that our emulator learns accurate climate dynamics, and we show the importance of each one of its components on a realistic synthetic dataset and data from two widely deployed climate models.

Mélisande Teng, Arthur Ouaknine, Etienne Laliberté et al.

The potential of tree planting as a natural climate solution is often undermined by inadequate monitoring of tree planting projects. Current monitoring methods involve measuring trees by hand for each species, requiring extensive cost, time, and labour. Advances in drone remote sensing and computer vision offer great potential for mapping and characterizing trees from aerial imagery, and large pre-trained vision models, such as the Segment Anything Model (SAM), may be a particularly compelling choice given limited labeled data. In this work, we compare SAM methods for the task of automatic tree crown instance segmentation in high resolution drone imagery of young tree plantations. We explore the potential of SAM for this task, and find that methods using SAM out-of-the-box do not outperform a custom Mask R-CNN, even with well-designed prompts, but that there is potential for methods which tune SAM further. We also show that predictions can be improved by adding Digital Surface Model (DSM) information as an input.

Yuyan Chen, Nico Lang, B. Christian Schmidt et al. · mit

Global biodiversity is declining at an unprecedented rate, yet little information is known about most species and how their populations are changing. Indeed, some 90% of Earth's species are estimated to be completely unknown. Machine learning has recently emerged as a promising tool to facilitate long-term, large-scale biodiversity monitoring, including algorithms for fine-grained classification of species from images. However, such algorithms typically are not designed to detect examples from categories unseen during training -- the problem of open-set recognition (OSR) -- limiting their applicability for highly diverse, poorly studied taxa such as insects. To address this gap, we introduce Open-Insect, a large-scale, fine-grained dataset to evaluate unknown species detection across different geographic regions with varying difficulty. We benchmark 38 OSR algorithms across three categories: post-hoc, training-time regularization, and training with auxiliary data, finding that simple post-hoc approaches remain a strong baseline. We also demonstrate how to leverage auxiliary data to improve species discovery in regions with limited data. Our results provide insights to guide the development of computer vision methods for biodiversity monitoring and species discovery.

Hager Radi Abdelwahed, Mélisande Teng, David Rolnick

To address the interlinked biodiversity and climate crises, we need an understanding of where species occur and how these patterns are changing. 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.

Catherine Villeneuve, Benjamin Akera, Mélisande Teng et al.

Species distribution models (SDMs), which aim to predict species occurrence based on environmental variables, are widely used to monitor and respond to biodiversity change. Recent deep learning advances for SDMs have been shown to perform well on complex and heterogeneous datasets, but their effectiveness remains limited by spatial biases in the data. In this paper, we revisit deep SDMs from a Bayesian perspective and introduce BATIS, a novel and practical framework wherein prior predictions are updated iteratively using limited observational data. Models must appropriately capture both aleatoric and epistemic uncertainty to effectively combine fine-grained local insights with broader ecological patterns. We benchmark an extensive set of uncertainty quantification approaches on a novel dataset including citizen science observations from the eBird platform. Our empirical study shows how Bayesian deep learning approaches can greatly improve the reliability of SDMs in data-scarce locations, which can contribute to ecological understanding and conservation efforts.

Lena Podina, Christina Humer, Alexandre Duval et al.

Efficient and inexpensive energy storage is essential for accelerating the adoption of renewable energy and ensuring a stable supply, despite fluctuations in sources such as wind and solar. Electrocatalysts play a key role in hydrogen energy storage (HES), allowing the energy to be stored as hydrogen. However, the development of affordable and high-performance catalysts for this process remains a significant challenge. We introduce Catalyst GFlowNet, a generative model that leverages machine learning-based predictors of formation and adsorption energy to design crystal surfaces that act as efficient catalysts. We demonstrate the performance of the model through a proof-of-concept application to the hydrogen evolution reaction, a key reaction in HES, for which we successfully identified platinum as the most efficient known catalyst. In future work, we aim to extend this approach to the oxygen evolution reaction, where current optimal catalysts are expensive metal oxides, and open the search space to discover new materials. This generative modeling framework offers a promising pathway for accelerating the search for novel and efficient catalysts.

Mélisande Teng, Julien Boussard, David Rolnick et al.

Identifying sequences of syllables within birdsongs is key to tackling a wide array of challenges, including bird individual identification and better understanding of animal communication and sensory-motor learning. Recently, machine learning approaches have demonstrated great potential to alleviate the need for experts to label long audio recordings by hand. However, they still typically rely on the availability of labelled data for model training, restricting applicability to a few species and datasets. In this work, we build the first fully unsupervised algorithm to decompose birdsong recordings into sequences of syllables. We first detect syllable events, then cluster them to extract templates -- syllable representations -- before performing matching pursuit to decompose the recording as a sequence of syllables. We evaluate our automatic annotations against human labels on a dataset of Bengalese finch songs and find that our unsupervised method achieves high performance. We also demonstrate that our approach can distinguish individual birds within a species through their unique vocal signatures, for both Bengalese finches and another species, the great tit.

Hager Radi Abdelwahed, Mélisande Teng, Robin Zbinden et al.

Species distribution models (SDMs) are widely used to predict species' geographic distributions, serving as critical tools for ecological research and conservation planning. Typically, SDMs relate species occurrences to environmental variables representing abiotic factors, such as temperature, precipitation, and soil properties. However, species distributions are also strongly influenced by biotic interactions with other species, which are often overlooked. While some methods partially address this limitation by incorporating biotic interactions, they often assume symmetrical pairwise relationships between species and require consistent co-occurrence data. In practice, species observations are sparse, and the availability of information about the presence or absence of other species varies significantly across locations. To address these challenges, we propose CISO, a deep learning-based method for species distribution modeling Conditioned on Incomplete Species Observations. CISO enables predictions to be conditioned on a flexible number of species observations alongside environmental variables, accommodating the variability and incompleteness of available biotic data. We demonstrate our approach using three datasets representing different species groups: sPlotOpen for plants, SatBird for birds, and a new dataset, SatButterfly, for butterflies. Our results show that including partial biotic information improves predictive performance on spatially separate test sets. When conditioned on a subset of species within the same dataset, CISO outperforms alternative methods in predicting the distribution of the remaining species. Furthermore, we show that combining observations from multiple datasets can improve performance. CISO is a promising ecological tool, capable of incorporating incomplete biotic information and identifying potential interactions between species from disparate taxa.

Christina Butsko, Kristof Van Tricht, Gabriel Tseng et al.

The increasing availability of geospatial foundation models has the potential to transform remote sensing applications such as land cover classification, environmental monitoring, and change detection. Despite promising benchmark results, the deployment of these models in operational settings is challenging and rare. Standardized evaluation tasks often fail to capture real-world complexities relevant for end-user adoption such as data heterogeneity, resource constraints, and application-specific requirements. This paper presents a structured approach to integrate geospatial foundation models into operational mapping systems. Our protocol has three key steps: defining application requirements, adapting the model to domain-specific data and conducting rigorous empirical testing. Using the Presto model in a case study for crop mapping, we demonstrate that fine-tuning a pre-trained model significantly improves performance over conventional supervised methods. Our results highlight the model's strong spatial and temporal generalization capabilities. Our protocol provides a replicable blueprint for practitioners and lays the groundwork for future research to operationalize foundation models in diverse remote sensing applications. Application of the protocol to the WorldCereal global crop-mapping system showcases the framework's scalability.

Paula Harder, Luca Schmidt, Francis Pelletier et al. · mila

Earth System Models (ESM) are our main tool for projecting the impacts of climate change. However, running these models at sufficient resolution for local-scale risk-assessments is not computationally feasible. Deep learning-based super-resolution models offer a promising solution to downscale ESM outputs to higher resolutions by learning from data. Yet, due to regional variations in climatic processes, these models typically require retraining for each geographical area-demanding high-resolution observational data, which is unevenly available across the globe. This highlights the need to assess how well these models generalize across geographic regions. To address this, we introduce RainShift, a dataset and benchmark for evaluating downscaling under geographic distribution shifts. We evaluate state-of-the-art downscaling approaches including GANs and diffusion models in generalizing across data gaps between the Global North and Global South. Our findings reveal substantial performance drops in out-of-distribution regions, depending on model and geographic area. While expanding the training domain generally improves generalization, it is insufficient to overcome shifts between geographically distinct regions. We show that addressing these shifts through, for example, data alignment can improve spatial generalization. Our work advances the global applicability of downscaling methods and represents a step toward reducing inequities in access to high-resolution climate information.

Devin Kwok, Gül Sena Altıntaş, Colin Raffel et al.

Neural network training is inherently sensitive to initialization and the randomness induced by stochastic gradient descent. However, it is unclear to what extent such effects lead to meaningfully different networks, either in terms of the models' weights or the underlying functions that were learned. In this work, we show that during the initial "chaotic" phase of training, even extremely small perturbations reliably causes otherwise identical training trajectories to diverge-an effect that diminishes rapidly over training time. We quantify this divergence through (i) $L^2$ distance between parameters, (ii) the loss barrier when interpolating between networks, (iii) $L^2$ and barrier between parameters after permutation alignment, and (iv) representational similarity between intermediate activations; revealing how perturbations across different hyperparameter or fine-tuning settings drive training trajectories toward distinct loss minima. Our findings provide insights into neural network training stability, with practical implications for fine-tuning, model merging, and diversity of model ensembles.

Mélisande Teng, Arthur Ouaknine, Etienne Laliberté et al.

Information on trees at the individual level is crucial for monitoring forest ecosystems and planning forest management. Current monitoring methods involve ground measurements, requiring extensive cost, time and labor. Advances in drone remote sensing and computer vision offer great potential for mapping individual trees from aerial imagery at broad-scale. Large pre-trained vision models, such as the Segment Anything Model (SAM), represent a particularly compelling choice given limited labeled data. In this work, we compare methods leveraging SAM for the task of automatic tree crown instance segmentation in high resolution drone imagery in three use cases: 1) boreal plantations, 2) temperate forests and 3) tropical forests. We also study the integration of elevation data into models, in the form of Digital Surface Model (DSM) information, which can readily be obtained at no additional cost from RGB drone imagery. We present BalSAM, a model leveraging SAM and DSM information, which shows potential over other methods, particularly in the context of plantations. We find that methods using SAM out-of-the-box do not outperform a custom Mask R-CNN, even with well-designed prompts. However, efficiently tuning SAM end-to-end and integrating DSM information are both promising avenues for tree crown instance segmentation models.

Pratinav Seth, Michelle Lin, Brefo Dwamena Yaw et al.

Millions of abandoned oil and gas wells are scattered across the world, leaching methane into the atmosphere and toxic compounds into the groundwater. Many of these locations are unknown, preventing the wells from being plugged and their polluting effects averted. Remote sensing is a relatively unexplored tool for pinpointing abandoned wells at scale. We introduce the first large-scale benchmark dataset for this problem, leveraging medium-resolution multi-spectral satellite imagery from Planet Labs. Our curated dataset comprises over 213,000 wells (abandoned, suspended, and active) from Alberta, a region with especially high well density, sourced from the Alberta Energy Regulator and verified by domain experts. We evaluate baseline algorithms for well detection and segmentation, showing the promise of computer vision approaches but also significant room for improvement.

Aditya Jain, Fagner Cunha, Michael James Bunsen et al.

Insects represent half of all global biodiversity, yet many of the world's insects are disappearing, with severe implications for ecosystems and agriculture. Despite this crisis, data on insect diversity and abundance remain woefully inadequate, due to the scarcity of human experts and the lack of scalable tools for monitoring. Ecologists have started to adopt camera traps to record and study insects, and have proposed computer vision algorithms as an answer for scalable data processing. However, insect monitoring in the wild poses unique challenges that have not yet been addressed within computer vision, including the combination of long-tailed data, extremely similar classes, and significant distribution shifts. We provide the first large-scale machine learning benchmarks for fine-grained insect recognition, designed to match real-world tasks faced by ecologists. Our contributions include a curated dataset of images from citizen science platforms and museums, and an expert-annotated dataset drawn from automated camera traps across multiple continents, designed to test out-of-distribution generalization under field conditions. We train and evaluate a variety of baseline algorithms and introduce a combination of data augmentation techniques that enhance generalization across geographies and hardware setups.

Qidong Yang, Alex Hernandez-Garcia, Paula Harder et al.

Climate simulations are essential in guiding our understanding of climate change and responding to its effects. However, it is computationally expensive to resolve complex climate processes at high spatial resolution. As one way to speed up climate simulations, neural networks have been used to downscale climate variables from fast-running low-resolution simulations, but high-resolution training data are often unobtainable or scarce, greatly limiting accuracy. In this work, we propose a downscaling method based on the Fourier neural operator. It trains with data of a small upsampling factor and then can zero-shot downscale its input to arbitrary unseen high resolution. Evaluated both on ERA5 climate model data and on the Navier-Stokes equation solution data, our downscaling model significantly outperforms state-of-the-art convolutional and generative adversarial downscaling models, both in standard single-resolution downscaling and in zero-shot generalization to higher upsampling factors. Furthermore, we show that our method also outperforms state-of-the-art data-driven partial differential equation solvers on Navier-Stokes equations. Overall, our work bridges the gap between simulation of a physical process and interpolation of low-resolution output, showing that it is possible to combine both approaches and significantly improve upon each other.

Mélisande Teng, Amna Elmustafa, Benjamin Akera et al.

Climate change is a major driver of biodiversity loss, changing the geographic range and abundance of many species. However, there remain significant knowledge gaps about the distribution of species, due principally to the amount of effort and expertise required for traditional field monitoring. We propose an approach leveraging computer vision to improve species distribution modelling, combining the wide availability of remote sensing data with sparse on-ground citizen science data. We introduce a novel task and dataset for mapping US bird species to their habitats by predicting species encounter rates from satellite images, along with baseline models which demonstrate the power of our approach. Our methods open up possibilities for scalably modelling ecosystems properties worldwide.

Gabriel Tseng, Hannah Kerner, David Rolnick

Labeled datasets for agriculture are extremely spatially imbalanced. When developing algorithms for data-sparse regions, a natural approach is to use transfer learning from data-rich regions. While standard transfer learning approaches typically leverage only direct inputs and outputs, geospatial imagery and agricultural data are rich in metadata that can inform transfer learning algorithms, such as the spatial coordinates of data-points or the class of task being learned. We build on previous work exploring the use of meta-learning for agricultural contexts in data-sparse regions and introduce task-informed meta-learning (TIML), an augmentation to model-agnostic meta-learning which takes advantage of task-specific metadata. We apply TIML to crop type classification and yield estimation, and find that TIML significantly improves performance compared to a range of benchmarks in both contexts, across a diversity of model architectures. While we focus on tasks from agriculture, TIML could offer benefits to any meta-learning setup with task-specific metadata, such as classification of geo-tagged images and species distribution modelling.

Sever Topan, David Rolnick, Xujie Si

Many experts argue that the future of artificial intelligence is limited by the field's ability to integrate symbolic logical reasoning into deep learning architectures. The recently proposed differentiable MAXSAT solver, SATNet, was a breakthrough in its capacity to integrate with a traditional neural network and solve visual reasoning problems. For instance, it can learn the rules of Sudoku purely from image examples. Despite its success, SATNet was shown to succumb to a key challenge in neurosymbolic systems known as the Symbol Grounding Problem: the inability to map visual inputs to symbolic variables without explicit supervision ("label leakage"). In this work, we present a self-supervised pre-training pipeline that enables SATNet to overcome this limitation, thus broadening the class of problems that SATNet architectures can solve to include datasets where no intermediary labels are available at all. We demonstrate that our method allows SATNet to attain full accuracy even with a harder problem setup that prevents any label leakage. We additionally introduce a proofreading method that further improves the performance of SATNet architectures, beating the state-of-the-art on Visual Sudoku.