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Webinar Series AI for Earth and Sustainability Science​

Since February 2023 the AI for Earth and Sustainability Science webinar series highlights seminal and recent progress in AI-enabled modelling and understanding of the Earth system from local to global scale and AI-science based diagnosis, prediction and remedy of environmental crises.

Interdisciplinary researchers from academia, industry, UN and government agencies as well as NGOs will talk about tackling systemic real-world challenges with AI, including disaster risk reduction and preparedness, environmental degradation, climate change, societal impacts and dynamics, and the sustainable and responsible use of natural resources such as water and energy.

The webinar series is curated by the ELLIS Unit Jena and the ELLIS program “Machine Learning for Earth and Climate Sciences” in collaboration with AI for Good.

 

Curators

OUR SPEAKERS AT A GLANCE

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Deep Generative Models for Molecular Simulation

This session will explore advanced methods in deep generative modeling for molecular simulations, focusing on a novel approach to improve the accuracy and efficiency of normalizing flows in approximating complex target distributions, such as Boltzmann  distributions of physical systems. Traditional methods for training flows often struggle with mode-seeking behavior, use samples from the target generated beforehand by expensive MCMC methods, or use stochastic losses that have high variance. reliance on costly MCMC-generated samples, or high-variance stochastic losses. We will introduce Flow AIS Bootstrap (FAB), a new technique that integrates annealed importance sampling (AIS) to overcome these limitations. By minimizing the mass-covering α-divergence with α=2, FAB reduces importance weight variance and generates samples in regions where the flow poorly approximates the target, aiding in the discovery of new modes. The session will highlight how FAB accurately approximates multimodal targets, outperforming previous methods. To the best of our knowledge, we are the first to learn the Boltzmann distribution of the alanine dipeptide molecule using only the unnormalized target density, without access to samples generated via Molecular Dynamics (MD) simulations: FAB produces better results than training via maximum likelihood on MD samples while using 100 times fewer target evaluations. After reweighting the samples, we obtain unbiased histograms of dihedral angles that are almost identical to the ground truth.
José Miguel Hernández Lobato
Oct 2, 2024

Confronting Climate Change with Generative and Self-supervised Machine Learning

The stunning recent advances in AI chatbots rely on cutting-edge generative deep learning algorithms and architectures trained on massive amounts of text data. Generative deep learning has also shown remarkable results when trained on video data and on combinations of different data types (i.e., multi-modal). The recent advances in generative deep learning can also benefit a variety of applications for addressing climate change. For example, generative deep learning trained on climate and weather data can be a powerful tool in generating an ensemble of weather predictions and in quantifying the uncertainty of long-term projections of climate change. As opposed to text and video, the relevant training data for this domain includes weather and climate data from observations, reanalyses, and even physical simulations. As in many massive data applications, creating “labeled data” for supervised machine learning is often costly, time-consuming, or even impossible. Fortuitously, in very large-scale data domains, “self-supervised” machine learning methods are now actually outperforming supervised learning methods. In this lecture, I will survey our lab’s work developing generative and self-supervised machine learning approaches for applications addressing climate change, including detection and prediction of extreme weather events, and downscaling and temporal interpolation of spatiotemporal data. Our methods address problems such as forecasting the path and intensity of tropical cyclones, renewable energy planning, and projecting future sea-level rise.
Claire Monteleoni
SEP 11, 2024

Fast statistical inference with neural networks and amortisation: Golden ticket or red herring?

Neural networks can provide solutions to tasks that were inconceivable just a few years ago and have benefitted society in numerous ways. These benefits primarily stem from a property often referred to as “amortisation“: Training a neural network usually requires significant effort and resources but, once trained, the network can solve similar problems repeatedly and rapidly with virtually no additional computational cost. Hence, the substantial initial training cost of training neural networks is “amortised” over time. Amortisation can also be used to enable fast inference with parametric statistical models: Once a network is trained using observational data as input and inferential statements (e.g., point parameter estimates) as output, the network can make inference with future data in a tiny fraction of the computing time needed by conventional likelihood or Monte Carlo methods. These amortised inferential tools have several compelling advantages over classical methods: they do not require knowledge of the likelihood function, are relatively easy to implement, and facilitate inference at a substantially reduced computational cost. In this lecture I will first give a brief review of recent work that has leveraged the property of “amortisation” in statistical inference in the context of (spatial) environmental and geophysical applications. I will then evaluate the merits and drawbacks of amortised inference from a statistician’s perspective and conclude by outlining the challenges that need to be overcome for these inferential tools to gain widespread acceptance.
Andrew Zammit-Mangion
FEB 14, 2024