Machine learning is increasingly being applied to facilitate long-term, large-scale biodiversity monitoring. With most species on Earth still undiscovered or poorly documented, species-recognition models are expected to encounter new species during deployment. We introduce Open-Insects, a fine-grained image recognition benchmark dataset for open-set recognition and out-of-distribution detection in biodiversity monitoring. Open-Insects makes it possible to evaluate algorithms for new species detection on several geographical open-set splits with varying difficulty. Furthermore, we present a test set recently collected in the wild with 59 species that are likely new to science. We evaluate a variety of open-set recognition algorithms, including post-hoc methods, training-time regularization, and training with auxiliary data, finding that the simple post-hoc approach of utilizing softmax scores remains a strong baseline. We also demonstrate how to leverage auxiliary data to improve the detection performance when the training dataset is limited. Our results provide timely insights to guide the development of computer vision methods for biodiversity monitoring and species discovery.

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.

Scientific research often seeks to understand the causal structure underlying high-level variables in a system. For example, climate scientists study how phenomena, such as El Ni\~no, affect other climate processes at remote locations across the globe. However, scientists typically collect low-level measurements, such as geographically distributed temperature readings. From these, one needs to learn both a mapping to causally-relevant latent variables, such as a high-level representation of the El Ni\~no phenomenon and other processes, as well as the causal model over them. The challenge is that this task, called causal representation learning, is highly underdetermined from observational data alone, requiring other constraints during learning to resolve the indeterminacies. In this work, we consider a temporal model with a sparsity assumption, namely single-parent decoding: each observed low-level variable is only affected by a single latent variable. Such an assumption is reasonable in many scientific applications that require finding groups of low-level variables, such as extracting regions from geographically gridded measurement data in climate research or capturing brain regions from neural activity data. We demonstrate the identifiability of the resulting model and propose a differentiable method, Causal Discovery with Single-parent Decoding (CDSD), that simultaneously learns the underlying latents and a causal graph over them. We assess the validity of our theoretical results using simulated data and showcase the practical validity of our method in an application to real-world data from the climate science field.

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.

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.

Predictions of global climate models typically operate on coarse spatial scales due to the large computational costs of climate simulations. 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.

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.

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.

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.

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.