Florian Hartig

Maximilian Pichler, Florian Hartig

Supervised machine learning (ML) and deep learning (DL) algorithms excel at predictive tasks, but it is commonly assumed that they often do so by exploiting non-causal correlations, which may limit both interpretability and generalizability. Here, we show that this trade-off between explanation and prediction is not as deep and fundamental as expected. Whereas ML and DL algorithms will indeed tend to use non-causal features for prediction when fed indiscriminately with all data, it is possible to constrain the learning process of any ML and DL algorithm by selecting features according to Pearl's backdoor adjustment criterion. In such a situation, some algorithms, in particular deep neural networks, can provide near unbiased effect estimates under feature collinearity. Remaining biases are explained by the specific algorithmic structures as well as hyperparameter choice. Consequently, optimal hyperparameter settings are different when tuned for prediction or inference, confirming the general expectation of a trade-off between prediction and explanation. However, the effect of this trade-off is small compared to the effect of a causally constrained feature selection. Thus, once the causal relationship between the features is accounted for, the difference between prediction and explanation may be much smaller than commonly assumed. We also show that such causally constrained models generalize better to new data with altered collinearity structures, suggesting generalization failure may often be due to a lack of causal learning. Our results not only provide a perspective for using ML for inference of (causal) effects but also help to improve the generalizability of fitted ML and DL models to new data.

Christian Amesoeder, Florian Hartig, Maximilian Pichler

Deep Neural Networks (DNN) have become a central method in ecology. Most current deep learning (DL) applications rely on one of the major deep learning frameworks, in particular Torch or TensorFlow, to build and train DNN. Using these frameworks, however, requires substantially more experience and time than typical regression functions in the R environment. Here, we present 'cito', a user-friendly R package for DL that allows specifying DNNs in the familiar formula syntax used by many R packages. To fit the models, 'cito' uses 'torch', taking advantage of the numerically optimized torch library, including the ability to switch between training models on the CPU or the graphics processing unit (GPU) (which allows to efficiently train large DNN). Moreover, 'cito' includes many user-friendly functions for model plotting and analysis, including optional confidence intervals (CIs) based on bootstraps for predictions and explainable AI (xAI) metrics for effect sizes and variable importance with CIs and p-values. To showcase a typical analysis pipeline using 'cito', including its built-in xAI features to explore the trained DNN, we build a species distribution model of the African elephant. We hope that by providing a user-friendly R framework to specify, deploy and interpret DNN, 'cito' will make this interesting model class more accessible to ecological data analysis. A stable version of 'cito' can be installed from the comprehensive R archive network (CRAN).

Maximilian Pichler, Virginie Boreux, Alexandra-Maria Klein et al.

Ecologists have long suspected that species are more likely to interact if their traits match in a particular way. For example, a pollination interaction may be more likely if the proportions of a bee's tongue fit a plant's flower shape. Empirical estimates of the importance of trait-matching for determining species interactions, however, vary significantly among different types of ecological networks. Here, we show that ambiguity among empirical trait-matching studies may have arisen at least in parts from using overly simple statistical models. Using simulated and real data, we contrast conventional generalized linear models (GLM) with more flexible Machine Learning (ML) models (Random Forest, Boosted Regression Trees, Deep Neural Networks, Convolutional Neural Networks, Support Vector Machines, naive Bayes, and k-Nearest-Neighbor), testing their ability to predict species interactions based on traits, and infer trait combinations causally responsible for species interactions. We find that the best ML models can successfully predict species interactions in plant-pollinator networks, outperforming GLMs by a substantial margin. Our results also demonstrate that ML models can better identify the causally responsible trait-matching combinations than GLMs. In two case studies, the best ML models successfully predicted species interactions in a global plant-pollinator database and inferred ecologically plausible trait-matching rules for a plant-hummingbird network, without any prior assumptions. We conclude that flexible ML models offer many advantages over traditional regression models for understanding interaction networks. We anticipate that these results extrapolate to other ecological network types. More generally, our results highlight the potential of machine learning and artificial intelligence for inference in ecology, beyond standard tasks such as image or pattern recognition.