Search

Physics is a field of science that has traditionally used the scientific method to answer questions about why natural phenomena occur and to make testable models that explain the phenomena. Discovering equations, laws and principles that are invariant, robust and causal explanations of the world has been fundamental in physical sciences throughout the centuries. Discoveries emerge from observing the world and, when possible, performing interventional studies in the system under study. With the advent of big data and the use of data-driven methods, causal and equation discovery fields have grown and made progress in computer science, physics, statistics, philosophy, and many applied fields. All these domains are intertwined and can be used to discover causal relations, physical laws, and equations from observational data. This paper reviews the concepts, methods, and relevant works on causal and equation discovery in the broad field of Physics and outlines the most important challenges and promising future lines of research. We also provide a taxonomy for observational causal and equation discovery, point out connections, and showcase a complete set of case studies in Earth and climate sciences, fluid dynamics and mechanics, and the neurosciences. This review demonstrates that discovering fundamental laws and causal relations by observing natural phenomena is being revolutionised with the efficient exploitation of observational data, modern machine learning algorithms and the interaction with domain knowledge. Exciting times are ahead with many challenges and opportunities to improve our understanding of complex systems., 137 pages

Cirrus clouds are key modulators of Earth's climate. Their dependencies on meteorological and aerosol conditions are among the largest uncertainties in global climate models. This work uses three years of satellite and reanalysis data to study the link between cirrus drivers and cloud properties. We use a gradient-boosted machine learning model and a Long Short-Term Memory (LSTM) network with an attention layer to predict the ice water content and ice crystal number concentration. The models show that meteorological and aerosol conditions can predict cirrus properties with $R^2 = 0.49$. Feature attributions are calculated with SHapley Additive exPlanations (SHAP) to quantify the link between meteorological and aerosol conditions and cirrus properties. For instance, the minimum concentration of supermicron-sized dust particles required to cause a decrease in ice crystal number concentration predictions is $2 \times 10^{-4}$ mg m\textsuperscript{-3}. The last 15 hours before the observation predict all cirrus properties., Comment: Presented at Climate Informatics 2023 in Cambridge; Submitted to Environmental Data Science Journal Updates Version: New version of dataset is linked. Please use that version: https://zenodo.org/record/7965381

Wildfires are increasingly exacerbated as a result of climate change, necessitating advanced proactive measures for effective mitigation. It is important to forecast wildfires weeks and months in advance to plan forest fuel management, resource procurement and allocation. To achieve such accurate long-term forecasts at a global scale, it is crucial to employ models that account for the Earth system's inherent spatio-temporal interactions, such as memory effects and teleconnections. We propose a teleconnection-driven vision transformer (TeleViT), capable of treating the Earth as one interconnected system, integrating fine-grained local-scale inputs with global-scale inputs, such as climate indices and coarse-grained global variables. Through comprehensive experimentation, we demonstrate the superiority of TeleViT in accurately predicting global burned area patterns for various forecasting windows, up to four months in advance. The gain is especially pronounced in larger forecasting windows, demonstrating the improved ability of deep learning models that exploit teleconnections to capture Earth system dynamics. Code available at https://github.com/Orion-Ai-Lab/TeleViT.

Earth observation (EO) is a prime instrument for monitoring land and ocean processes, studying the dynamics at work, and taking the pulse of our planet. This article gives a bird's eye view of the essential scientific tools and approaches informing and supporting the transition from raw EO data to usable EO-based information. The promises, as well as the current challenges of these developments, are highlighted under dedicated sections. Specifically, we cover the impact of (i) Computer vision; (ii) Machine learning; (iii) Advanced processing and computing; (iv) Knowledge-based AI; (v) Explainable AI and causal inference; (vi) Physics-aware models; (vii) User-centric approaches; and (viii) the much-needed discussion of ethical and societal issues related to the massive use of ML technologies in EO.

Granger causality (GC) is often considered not an actual form of causality. Still, it is arguably the most widely used method to assess the predictability of a time series from another one. Granger causality has been widely used in many applied disciplines, from neuroscience and econometrics to Earth sciences. We revisit GC under a graphical perspective of state-space models. For that, we use GraphEM, a recently presented expectation-maximisation algorithm for estimating the linear matrix operator in the state equation of a linear-Gaussian state-space model. Lasso regularisation is included in the M-step, which is solved using a proximal splitting Douglas-Rachford algorithm. Experiments in toy examples and challenging climate problems illustrate the benefits of the proposed model and inference technique over standard Granger causality methods., Comment: 4 pages, 2 figures, 3 tables, CausalStats23: When Causal Inference meets Statistical Analysis, April 17-21, 2023, Paris, France

We introduce Mesogeos, a large-scale multi-purpose dataset for wildfire modeling in the Mediterranean. Mesogeos integrates variables representing wildfire drivers (meteorology, vegetation, human activity) and historical records of wildfire ignitions and burned areas for 17 years (2006-2022). It is designed as a cloud-friendly spatio-temporal dataset, namely a datacube, harmonizing all variables in a grid of 1km x 1km x 1-day resolution. The datacube structure offers opportunities to assess machine learning (ML) usage in various wildfire modeling tasks. We extract two ML-ready datasets that establish distinct tracks to demonstrate this potential: (1) short-term wildfire danger forecasting and (2) final burned area estimation given the point of ignition. We define appropriate metrics and baselines to evaluate the performance of models in each track. By publishing the datacube, along with the code to create the ML datasets and models, we encourage the community to foster the implementation of additional tracks for mitigating the increasing threat of wildfires in the Mediterranean.

The synergistic combination of deep learning models and Earth observation promises significant advances to support the sustainable development goals (SDGs). New developments and a plethora of applications are already changing the way humanity will face the living planet challenges. This paper reviews current deep learning approaches for Earth observation data, along with their application towards monitoring and achieving the SDGs most impacted by the rapid development of deep learning in Earth observation. We systematically review case studies to 1) achieve zero hunger, 2) sustainable cities, 3) deliver tenure security, 4) mitigate and adapt to climate change, and 5) preserve biodiversity. Important societal, economic and environmental implications are concerned. Exciting times ahead are coming where algorithms and Earth data can help in our endeavor to address the climate crisis and support more sustainable development.

Wildfire forecasting is of paramount importance for disaster risk reduction and environmental sustainability. We approach daily fire danger prediction as a machine learning task, using historical Earth observation data from the last decade to predict next-day's fire danger. To that end, we collect, pre-process and harmonize an open-access datacube, featuring a set of covariates that jointly affect the fire occurrence and spread, such as weather conditions, satellite-derived products, topography features and variables related to human activity. We implement a variety of Deep Learning (DL) models to capture the spatial, temporal or spatio-temporal context and compare them against a Random Forest (RF) baseline. We find that either spatial or temporal context is enough to surpass the RF, while a ConvLSTM that exploits the spatio-temporal context performs best with a test Area Under the Receiver Operating Characteristic of 0.926. Our DL-based proof-of-concept provides national-scale daily fire danger maps at a much higher spatial resolution than existing operational solutions., Comment: Accepted to the workshop on Artificial Intelligence for Humanitarian Assistance and Disaster Response at the 35th Conference on Neural Information Processing Systems (NeurIPS 2021)

Atmospheric correction of Earth Observation data is one of the most critical steps in the data processing chain of a satellite mission for successful remote sensing applications. Atmospheric Radiative Transfer Models (RTM) inversion methods are typically preferred due to their high accuracy. However, the execution of RTMs on a pixel-per-pixel basis is impractical due to their high computation time, thus large multi-dimensional look-up tables (LUTs) are precomputed for their later interpolation. To further reduce the RTM computation burden and the error in LUT interpolation, we have developed a method to automatically select the minimum and optimal set of nodes to be included in a LUT. We present the gradient-based automatic LUT generator algorithm (GALGA) which relies on the notion of an acquisition function that incorporates (a) the Jacobian evaluation of an RTM, and (b) information about the multivariate distribution of the current nodes. We illustrate the capabilities of GALGA in the automatic construction and optimization of MODerate resolution atmospheric TRANsmission (MODTRAN) LUTs for several input dimensions. Our results indicate that, when compared to a pseudo-random homogeneous distribution of the LUT nodes, GALGA reduces (1) the LUT size by $\sim$75\% and (2) the maximum interpolation relative errors by 0.5\% It is concluded that automatic LUT design might benefit from the methodology proposed in GALGA to reduce computation time and interpolation errors.

Density destructors are differentiable and invertible transforms that map multivariate PDFs of arbitrary structure (low entropy) into non-structured PDFs (maximum entropy). Multivariate Gaussianization and multivariate equalization are specific examples of this family, which break down the complexity of the original PDF through a set of elementary transforms that progressively remove the structure of the data. We demonstrate how this property of density destructive flows is connected to classical information theory, and how density destructors can be used to get more accurate estimates of information theoretic quantities. Experiments with total correlation and mutual information inmultivariate sets illustrate the ability of density destructors compared to competing methods. These results suggest that information theoretic measures may be an alternative optimization criteria when learning density destructive flows., Accepted at the Workshop on Invertible Neural Nets and Normalizing Flows, ICML 2019

In the current context of climate change, extreme heatwaves, droughts, and floods are not only impacting the biosphere and atmosphere but the anthroposphere too. Human populations are forcibly displaced, which are now referred to as climate-induced migrants. In this work, we investigate which climate and structural factors forced major human displacements in the presence of floods and storms during the years 2017-2019. We built, curated, and harmonized a database of meteorological and remote sensing indicators along with structural factors of 27 developing countries worldwide. We show how we can use Gaussian Processes to learn what variables can explain the impact of floods and storms in the context of forced displacements and to develop models that reproduce migration flows. Our results at regional, global, and disaster-specific scales show the importance of structural factors in the determination of the magnitude of displacements. The study may have both societal, political, and economical implications., Presented at NeurIPS 2020 Workshop on Machine Learning for the Developing World

Most problems in Earth sciences aim to do inferences about the system, where accurate predictions are just a tiny part of the whole problem. Inferences mean understanding variables relations, deriving models that are physically interpretable, that are simple parsimonious, and mathematically tractable. Machine learning models alone are excellent approximators, but very often do not respect the most elementary laws of physics, like mass or energy conservation, so consistency and confidence are compromised. In this paper, we describe the main challenges ahead in the field, and introduce several ways to live in the Physics and machine learning interplay: to encode differential equations from data, constrain data-driven models with physics-priors and dependence constraints, improve parameterizations, emulate physical models, and blend data-driven and process-based models. This is a collective long-term AI agenda towards developing and applying algorithms capable of discovering knowledge in the Earth system., 24 pages, 10 figures, 3 tables, expanded AAAI PGAI 2020 Symposium

Information theory is an outstanding framework to measure uncertainty, dependence and relevance in data and systems. It has several desirable properties for real world applications: it naturally deals with multivariate data, it can handle heterogeneous data types, and the measures can be interpreted in physical units. However, it has not been adopted by a wider audience because obtaining information from multidimensional data is a challenging problem due to the curse of dimensionality. Here we propose an indirect way of computing information based on a multivariate Gaussianization transform. Our proposal mitigates the difficulty of multivariate density estimation by reducing it to a composition of tractable (marginal) operations and simple linear transformations, which can be interpreted as a particular deep neural network. We introduce specific Gaussianization-based methodologies to estimate total correlation, entropy, mutual information and Kullback-Leibler divergence. We compare them to recent estimators showing the accuracy on synthetic data generated from different multivariate distributions. We made the tools and datasets publicly available to provide a test-bed to analyze future methodologies. Results show that our proposal is superior to previous estimators particularly in high-dimensional scenarios; and that it leads to interesting insights in neuroscience, geoscience, computer vision, and machine learning., This work has been submitted to the IEEE for possible publication. Copyright may be transferred without notice, after which this version may no longer be accessible

Global warming is leading to unprecedented changes in our planet, with great societal, economical and environmental implications, especially with the growing demand of biofuels and food. Assessing the impact of climate on vegetation is of pressing need. We approached the attribution problem with a novel nonlinear Granger causal (GC) methodology and used a large data archive of remote sensing satellite products, environmental and climatic variables spatio-temporally gridded over more than 30 years. We generalize kernel Granger causality by considering the variables cross-relations explicitly in Hilbert spaces, and use the covariance in Gaussian processes. The method generalizes the linear and kernel GC methods, and comes with tighter bounds of performance based on Rademacher complexity. Spatially-explicit global Granger footprints of precipitation and soil moisture on vegetation greenness are identified more sharply than previous GC methods., Comment: 7 pages, 3 figures, AI for Earth Sciences Workshop at NeurIPS 2020. arXiv admin note: text overlap with arXiv:2011.14444

New social and economic activities massively exploit big data and machine learning algorithms to do inference on people's lives. Applications include automatic curricula evaluation, wage determination, and risk assessment for credits and loans. Recently, many governments and institutions have raised concerns about the lack of fairness, equity and ethics in machine learning to treat these problems. It has been shown that not including sensitive features that bias fairness, such as gender or race, is not enough to mitigate the discrimination when other related features are included. Instead, including fairness in the objective function has been shown to be more efficient. We present novel fair regression and dimensionality reduction methods built on a previously proposed fair classification framework. Both methods rely on using the Hilbert Schmidt independence criterion as the fairness term. Unlike previous approaches, this allows us to simplify the problem and to use multiple sensitive variables simultaneously. Replacing the linear formulation by kernel functions allows the methods to deal with nonlinear problems. For both linear and nonlinear formulations the solution reduces to solving simple matrix inversions or generalized eigenvalue problems. This simplifies the evaluation of the solutions for different trade-off values between the predictive error and fairness terms. We illustrate the usefulness of the proposed methods in toy examples, and evaluate their performance on real world datasets to predict income using gender and/or race discrimination as sensitive variables, and contraceptive method prediction under demographic and socio-economic sensitive descriptors., Comment: Work published on ECML'17, http://ecmlpkdd2017.ijs.si/papers/paperID275.pdf

Kernel dependence measures yield accurate estimates of nonlinear relations between random variables, and they are also endorsed with solid theoretical properties and convergence rates. Besides, the empirical estimates are easy to compute in closed form just involving linear algebra operations. However, they are hampered by two important problems: the high computational cost involved, as two kernel matrices of the sample size have to be computed and stored, and the interpretability of the measure, which remains hidden behind the implicit feature map. We here address these two issues. We introduce the Sensitivity Maps (SMs) for the Hilbert-Schmidt independence criterion (HSIC). Sensitivity maps allow us to explicitly analyze and visualize the relative relevance of both examples and features on the dependence measure. We also present the randomized HSIC (RHSIC) and its corresponding sensitivity maps to cope with large scale problems. We build upon the framework of random features and the Bochner's theorem to approximate the involved kernels in the canonical HSIC. The power of the RHSIC measure scales favourably with the number of samples, and it approximates HSIC and the sensitivity maps efficiently. Convergence bounds of both the measure and the sensitivity map are also provided. Our proposal is illustrated in synthetic examples, and challenging real problems of dependence estimation, feature selection, and causal inference from empirical data.

We introduce a kernel method for manifold alignment (KEMA) and domain adaptation that can match an arbitrary number of data sources without needing corresponding pairs, just few labeled examples in all domains. KEMA has interesting properties: 1) it generalizes other manifold alignment methods, 2) it can align manifolds of very different complexities, performing a sort of manifold unfolding plus alignment, 3) it can define a domain-specific metric to cope with multimodal specificities, 4) it can align data spaces of different dimensionality, 5) it is robust to strong nonlinear feature deformations, and 6) it is closed-form invertible which allows transfer across-domains and data synthesis. We also present a reduced-rank version for computational efficiency and discuss the generalization performance of KEMA under Rademacher principles of stability. KEMA exhibits very good performance over competing methods in synthetic examples, visual object recognition and recognition of facial expressions tasks.

Contextual bandits are a rich model for sequential decision making given side information, with important applications, e.g., in recommender systems. We propose novel algorithms for contextual bandits harnessing neural networks to approximate the unknown reward function. We resolve the open problem of proving sublinear regret bounds in this setting for general context sequences, considering both fully-connected and convolutional networks. To this end, we first analyze NTK-UCB, a kernelized bandit optimization algorithm employing the Neural Tangent Kernel (NTK), and bound its regret in terms of the NTK maximum information gain $\gamma_T$, a complexity parameter capturing the difficulty of learning. Our bounds on $\gamma_T$ for the NTK may be of independent interest. We then introduce our neural network based algorithm NN-UCB, and show that its regret closely tracks that of NTK-UCB. Under broad non-parametric assumptions about the reward function, our approach converges to the optimal policy at a $\tilde{\mathcal{O}}(T^{-1/2d})$ rate, where $d$ is the dimension of the context., Comment: 37 pages, 6 figures

We propose a new approach to model the collective dynamics of a population of particles evolving with time. As is often the case in challenging scientific applications, notably single-cell genomics, measuring features for these particles requires destroying them. As a result, the population can only be monitored with periodic snapshots, obtained by sampling a few particles that are sacrificed in exchange for measurements. Given only access to these snapshots, can we reconstruct likely individual trajectories for all other particles? We propose to model these trajectories as collective realizations of a causal Jordan-Kinderlehrer-Otto (JKO) flow of measures: The JKO scheme posits that the new configuration taken by a population at time t + 1 is one that trades off an improvement, in the sense that it decreases an energy, while remaining close (in Wasserstein distance) to the previous configuration observed at t. In order to learn such an energy using only snapshots, we propose JKONET, a neural architecture that computes (in end-to-end differentiable fashion) the JKO flow given a parametric energy and initial configuration of points. We demonstrate the good performance and robustness of the JKONET fitting procedure, compared to a more direct forward method. ISSN:2640-3498

Simulation models of complex dynamics in the natural and social sciences commonly lack a tractable likelihood function, rendering traditional likelihood-based statistical inference impossible. Recent advances in machine learning have introduced novel algorithms for estimating otherwise intractable likelihood functions using a likelihood ratio trick based on binary classifiers. Consequently, efficient likelihood approximations can be obtained whenever good probabilistic classifiers can be constructed. We propose a kernel classifier for sequential data using path signatures based on the recently introduced signature kernel. We demonstrate that the representative power of signatures yields a highly performant classifier, even in the crucially important case where sample numbers are low. In such scenarios, our approach can outperform sophisticated neural networks for common posterior inference tasks., Comment: Accepted for publication at AISTATS 2022

In Bayesian Optimization (BO) we study black-box function optimization with noisy point evaluations and Bayesian priors. Convergence of BO can be greatly sped up by batching, where multiple evaluations of the black-box function are performed in a single round. The main difficulty in this setting is to propose at the same time diverse and informative batches of evaluation points. In this work, we introduce DPP-Batch Bayesian Optimization (DPP-BBO), a universal framework for inducing batch diversity in sampling based BO by leveraging the repulsive properties of Determinantal Point Processes (DPP) to naturally diversify the batch sampling procedure. We illustrate this framework by formulating DPP-Thompson Sampling (DPP-TS) as a variant of the popular Thompson Sampling (TS) algorithm and introducing a Markov Chain Monte Carlo procedure to sample from it. We then prove novel Bayesian simple regret bounds for both classical batched TS as well as our counterpart DPP-TS, with the latter bound being tighter. Our real-world, as well as synthetic, experiments demonstrate improved performance of DPP-BBO over classical batching methods with Gaussian process and Cox process models., Comment: To be published in AISTATS 2022

We study adaptive sensing of Cox point processes, a widely used model from spatial statistics. We introduce three tasks: maximization of captured events, search for the maximum of the intensity function and learning level sets of the intensity function. We model the intensity function as a sample from a truncated Gaussian process, represented in a specially constructed positive basis. In this basis, the positivity constraint on the intensity function has a simple form. We show how the minimal description positive basis can be adapted to the covariance kernel, to non-stationarity and make connections to common positive bases from prior works. Our adaptive sensing algorithms use Langevin dynamics and are based on posterior sampling (Cox-TnomPsoN) and top-two posterior sampling (ToP2) principles. With latter, the difference between samples serves as a surrogate to the uncertainty. We demonstrate the approach using examples from environmental monitoring and crime rate modeling, and compare it to the classical Bayesian experimental design approach. ISSN:2640-3498