Causal discovery aims to extract qualitative causal knowledge in the form of causal graphs from data. Because causal ground truth is rarely known in the real world, simulated data plays a vital role in evaluating the performance of the various causal discovery algorithms proposed in the literature. But recent work highlighted certain artifacts of commonly used data generation techniques for a standard class of structural causal models (SCM) that may be nonphysical, including var- and R2-sortability, where the variables' variance and coefficients of determination (R2) after regressing on all other variables, respectively, increase along the causal order. Some causal methods exploit such artifacts, leading to unrealistic expectations for their performance on real-world data. Some modifications have been proposed to remove these artifacts; notably, the internally-standardized structural causal model (iSCM) avoids varsortability and largely alleviates R2-sortability on sparse causal graphs, but exhibits a reversed R2-sortability pattern for denser graphs not featured in their work. We analyze which sortability patterns we expect to see in real data, and propose a method for drawing coefficients that we argue more effectively samples the space of SCMs. Finally, we propose a novel extension of our SCM generation method to the time series setting.

We evaluate methods for causal representation learning (CRL) on a simple, real-world system where these methods are expected to work. The system consists of a controlled optical experiment specifically built for this purpose, which satisfies the core assumptions of CRL and where the underlying causal factors (the inputs to the experiment) are known, providing a ground truth. We select methods representative of different approaches to CRL and find that they all fail to recover the underlying causal factors. To understand the failure modes of the evaluated algorithms, we perform an ablation on the data by substituting the real data-generating process with a simpler synthetic equivalent. The results reveal a reproducibility problem, as most methods already fail on this synthetic ablation despite its simple data-generating process. Additionally, we observe that common assumptions on the mixing function are crucial for the performance of some of the methods but do not hold in the real data. Our efforts highlight the contrast between the theoretical promise of the state of the art and the challenges in its application. We hope the benchmark serves as a simple, real-world sanity check to further develop and validate methodology, bridging the gap towards CRL methods that work in practice. We make all code and datasets publicly available at github.com/simonbing/CRLSanityCheck

Causal discovery aims to infer causal graphs from observational or experimental data. Methods such as the popular PC algorithm are based on conditional independence testing and utilize enabling assumptions, such as the faithfulness assumption, for their inferences. In practice, these assumptions, as well as the functional assumptions inherited from the chosen conditional independence test, are typically taken as a given and not further tested for their validity on the data. In this work, we propose internal coherency scores that allow testing for assumption violations and finite sample errors, whenever detectable without requiring ground truth or further statistical tests. We provide a complete classification of erroneous results, including a distinction between detectable and undetectable errors, and prove that the detectable erroneous results can be measured by our scores. We illustrate our coherency scores on the PC algorithm with simulated and real-world datasets, and envision that testing for internal coherency can become a standard tool in applying constraint-based methods, much like a suite of tests is used to validate the assumptions of classical regression analysis.

Often, these changes are driven by different environments or internal states in which the system operates, and we refer to context variables as those variables that indicate this change in causal mechanisms. An example are the causal relations in soil moisture-temperature interactions and their dependence on soil moisture regimes: Dry soil triggers a dependence of soil moisture on latent heat, while environments with wet soil do not feature such a feedback, making it a context-specific property. Crucially, a regime or context variable such as soil moisture need not be exogenous and can be influenced by the dynamical system variables - precipitation can make a dry soil wet - leading to joint systems with endogenous context variables. In this work we investigate the assumptions for constraint-based causal discovery of context-specific information in systems with endogenous context variables. We show that naive approaches such as learning different regime graphs on masked data, or pooling all data, can lead to uninformative results. We propose an adaptive constraint-based discovery algorithm and give a detailed discussion on the connection to structural causal models, including sufficiency assumptions, which allow to prove the soundness of our algorithm and to interpret the results causally. Numerical experiments demonstrate the performance of the proposed method over alternative baselines, but they also unveil current limitations of our method.

Causal structure learning with data from multiple contexts carries both opportunities and challenges. Opportunities arise from considering shared and context-specific causal graphs enabling to generalize and transfer causal knowledge across contexts. However, a challenge that is currently understudied in the literature is the impact of differing observational support between contexts on the identifiability of causal graphs. Here we study in detail recently introduced [6] causal graph objects that capture both causal mechanisms and data support, allowing for the analysis of a larger class of context-specific changes, characterizing distribution shifts more precisely. We thereby extend results on the identifiability of context-specific causal structures and propose a framework to model context-specific independence (CSI) within structural causal models (SCMs) in a refined way that allows to explore scenarios where these graph objects differ. We demonstrate how this framework can help explaining phenomena like anomalies or extreme events, where causal mechanisms change or appear to change under different conditions. Our results contribute to the theoretical foundations for understanding causal relations in multi-context systems, with implications for generalization, transfer learning, and anomaly detection. Future work may extend this approach to more complex data types, such as time-series.

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.

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.

Climate change mitigation in urban mobility requires policies reconfiguring urban form to increase accessibility and facilitate low-carbon modes of transport. However, current policy research has insufficiently assessed urban form effects on car travel at three levels: (1) Causality -- Can causality be established beyond theoretical and correlation-based analyses? (2) Generalizability -- Do relationships hold across different cities and world regions? (3) Context specificity -- How do relationships vary across neighborhoods of a city? Here, we address all three gaps via causal graph discovery and explainable machine learning to detect urban form effects on intra-city car travel, based on mobility data of six cities across three continents. We find significant causal effects of urban form on trip emissions and inter-feature effects, which had been neglected in previous work. Our results demonstrate that destination accessibility matters most overall, while low density and low connectivity also sharply increase CO$_2$ emissions. These general trends are similar across cities but we find idiosyncratic effects that can lead to substantially different recommendations. In more monocentric cities, we identify spatial corridors -- about 10--50 km from the city center -- where subcenter-oriented development is more relevant than increased access to the main center. Our work demonstrates a novel application of machine learning that enables new research addressing the needs of causality, generalizability, and contextual specificity for scaling evidence-based urban climate solutions.

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.

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.