Metrics on Markov Equivalence Classes for Evaluating Causal Discovery Algorithms

Many state-of-the-art causal discovery methods aim to generate an output graph that encodes the graphical separation and connection statements of the causal graph that underlies the data-generating process. In this work, we argue that an evaluation of a causal discovery method against synthetic data should include an analysis of how well this explicit goal is achieved by measuring how closely the separations/connections of the method's output align with those of the ground truth. We show that established evaluation measures do not accurately capture the difference in separations/connections of two causal graphs, and we introduce three new measures of distance called s/c-distance, Markov distance and Faithfulness distance that address this shortcoming. We complement our theoretical analysis with toy examples, empirical experiments and pseudocode.

Invariance & Causal Representation Learning: Prospects and Limitations

In causal models, a given mechanism is assumed to be invariant to changes of other mechanisms. While this principle has been utilized for inference in settings where the causal variables are observed, theoretical insights when the variables of interest are latent are largely missing. We assay the connection between invariance and causal representation learning by establishing impossibility results which show that invariance alone is insufficient to identify latent causal variables. Together with practical considerations, we use these theoretical findings to highlight the need for additional constraints in order to identify representations by exploiting invariance.

ClimateSet: A Large-Scale Climate Model Dataset for Machine Learning

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.

Non-parametric Conditional Independence Testing for Mixed Continuous-Categorical Variables: A Novel Method and Numerical Evaluation

Conditional independence testing (CIT) is a common task in machine learning, e.g., for variable selection, and a main component of constraint-based causal discovery. While most current CIT approaches assume that all variables are numerical or all variables are categorical, many real-world applications involve mixed-type datasets that include numerical and categorical variables. Non-parametric CIT can be conducted using conditional mutual information (CMI) estimators combined with a local permutation scheme. Recently, two novel CMI estimators for mixed-type datasets based on k-nearest-neighbors (k-NN) have been proposed. As with any k-NN method, these estimators rely on the definition of a distance metric. One approach computes distances by a one-hot encoding of the categorical variables, essentially treating categorical variables as discrete-numerical, while the other expresses CMI by entropy terms where the categorical variables appear as conditions only. In this work, we study these estimators and propose a variation of the former approach that does not treat categorical variables as numeric. Our numerical experiments show that our variant detects dependencies more robustly across different data distributions and preprocessing types.

Identifying Linearly-Mixed Causal Representations from Multi-Node Interventions

The task of inferring high-level causal variables from low-level observations, commonly referred to as causal representation learning, is fundamentally underconstrained. As such, recent works to address this problem focus on various assumptions that lead to identifiability of the underlying latent causal variables. A large corpus of these preceding approaches consider multi-environment data collected under different interventions on the causal model. What is common to virtually all of these works is the restrictive assumption that in each environment, only a single variable is intervened on. In this work, we relax this assumption and provide the first identifiability result for causal representation learning that allows for multiple variables to be targeted by an intervention within one environment. Our approach hinges on a general assumption on the coverage and diversity of interventions across environments, which also includes the shared assumption of single-node interventions of previous works. The main idea behind our approach is to exploit the trace that interventions leave on the variance of the ground truth causal variables and regularizing for a specific notion of sparsity with respect to this trace. In addition to and inspired by our theoretical contributions, we present a practical algorithm to learn causal representations from multi-node interventional data and provide empirical evidence that validates our identifiability results.

Projecting infinite time series graphs to finite marginal graphs using number theory

In recent years, a growing number of method and application works have adapted and applied the causal-graphical-model framework to time series data. Many of these works employ time-resolved causal graphs that extend infinitely into the past and future and whose edges are repetitive in time, thereby reflecting the assumption of stationary causal relationships. However, most results and algorithms from the causal-graphical-model framework are not designed for infinite graphs. In this work, we develop a method for projecting infinite time series graphs with repetitive edges to marginal graphical models on a finite time window. These finite marginal graphs provide the answers to $m$-separation queries with respect to the infinite graph, a task that was previously unresolved. Moreover, we argue that these marginal graphs are useful for causal discovery and causal effect estimation in time series, effectively enabling to apply results developed for finite graphs to the infinite graphs. The projection procedure relies on finding common ancestors in the to-be-projected graph and is, by itself, not new. However, the projection procedure has not yet been algorithmically implemented for time series graphs since in these infinite graphs there can be infinite sets of paths that might give rise to common ancestors. We solve the search over these possibly infinite sets of paths by an intriguing combination of path-finding techniques for finite directed graphs and solution theory for linear Diophantine equations. By providing an algorithm that carries out the projection, our paper makes an important step towards a theoretically-grounded and method-agnostic generalization of a range of causal inference methods and results to time series.

A Causal Discovery Approach To Learn How Urban Form Shapes Sustainable Mobility Across Continents

Global sustainability requires low-carbon urban transport systems, shaped by adequate infrastructure, deployment of low-carbon transport modes and shifts in travel behavior. To adequately implement alterations in infrastructure, it's essential to grasp the location-specific cause-and-effect mechanisms that the constructed environment has on travel. Yet, current research falls short in representing causal relationships between the 6D urban form variables and travel, generalizing across different regions, and modeling urban form effects at high spatial resolution. Here, we address all three gaps by utilizing a causal discovery and an explainable machine learning framework to detect urban form effects on intra-city travel based on high-resolution mobility data of six cities across three continents. We show that both distance to city center, demographics and density indirectly affect other urban form features. By considering the causal relationships, we find that location-specific influences align across cities, yet vary in magnitude. In addition, the spread of the city and the coverage of jobs across the city are the strongest determinants of travel-related emissions, highlighting the benefits of compact development and associated benefits. Differences in urban form effects across the cities call for a more holistic definition of 6D measures. Our work is a starting point for location-specific analysis of urban form effects on mobility behavior using causal discovery approaches, which is highly relevant for city planners and municipalities across continents.

Conditional Independence Testing with Heteroskedastic Data and Applications to Causal Discovery

Conditional independence (CI) testing is frequently used in data analysis and machine learning for various scientific fields and it forms the basis of constraint-based causal discovery. Oftentimes, CI testing relies on strong, rather unrealistic assumptions. One of these assumptions is homoskedasticity, in other words, a constant conditional variance is assumed. We frame heteroskedasticity in a structural causal model framework and present an adaptation of the partial correlation CI test that works well in the presence of heteroskedastic noise, given that expert knowledge about the heteroskedastic relationships is available. Further, we provide theoretical consistency results for the proposed CI test which carry over to causal discovery under certain assumptions. Numerical causal discovery experiments demonstrate that the adapted partial correlation CI test outperforms the standard test in the presence of heteroskedasticity and is on par for the homoskedastic case. Finally, we discuss the general challenges and limits as to how expert knowledge about heteroskedasticity can be accounted for in causal discovery.

Bootstrap aggregation and confidence measures to improve time series causal discovery

Causal discovery methods have demonstrated the ability to identify the time series graphs representing the causal temporal dependency structure of dynamical systems. However, they do not include a measure of the confidence of the estimated links. Here, we introduce a novel bootstrap aggregation (bagging) and confidence measure method that is combined with time series causal discovery. This new method allows measuring confidence for the links of the time series graphs calculated by causal discovery methods. This is done by bootstrapping the original times series data set while preserving temporal dependencies. Next to confidence measures, aggregating the bootstrapped graphs by majority voting yields a final aggregated output graph. In this work, we combine our approach with the state-of-the-art conditional-independence-based algorithm PCMCI+. With extensive numerical experiments we empirically demonstrate that, in addition to providing confidence measures for links, Bagged-PCMCI+ improves the precision and recall of its base algorithm PCMCI+. Specifically, Bagged-PCMCI+ has a higher detection power regarding adjacencies and a higher precision in orienting contemporaneous edges while at the same time showing a lower rate of false positives. These performance improvements are especially pronounced in the more challenging settings (short time sample size, large number of variables, high autocorrelation). Our bootstrap approach can also be combined with other time series causal discovery algorithms and can be of considerable use in many real-world applications, especially when confidence measures for the links are desired.

Discovering Causal Relations and Equations from Data

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.