Shapley value (SV)-based methods are the prevailing framework for feature attribution in machine learning, yet existing population-level Shapley estimators generally assume that observations used to evaluate the coalitional game are fully observed under a common feature space. This assumption is routinely violated in multi-site studies across biomedicine, social science, and environmental monitoring, where institutions record different features under different protocols, producing systematic blockwise missingness across sources. We first show that the standard remedy of imputing missing features before computing Shapley values introduces systematic, coalition-dependent bias into the resulting attributions. We then propose \textbf{FUSHAP} (\textbf{Fu}sion \textbf{Sh}apley \textbf{A}ttribution from \textbf{P}artially-observed data), a method that leverages partially-observed auxiliary sites to reduce the variance of a preliminary single-site Shapley estimate without imputation. A permutation-based screening step detects and excludes sites whose data distributions are incompatible with the target population. In synthetic experiments, FUSHAP achieves 3--8× lower MSE than the single-site estimator and 2--3× lower MSE than imputation baselines without incurring imputation-induced bias, and the screening procedure identifies misaligned sites with 82% power at moderate misalignment and 100% for strong misalignment. On multi-site air quality and multi-center clinical data, FUSHAP reduces MSE by approximately 3--7× relative to the single-site estimator; in the clinical application, standard imputation can increase MSE above the single-site baseline.
Feature selection is a classical problem in statistics and machine learning, and it continues to remain an extremely challenging problem especially in the context of unknown non-linear relationships with dependent features. On the other hand, Shapley values are a classic solution concept from cooperative game theory that is widely used for feature attribution in general non-linear models with highly-dependent features. However, Shapley values are not naturally suited for feature selection since they tend to capture both direct effects from each feature to the response and indirect effects through other features. In this paper, we combine the advantages of Shapley values and adapt them to feature selection by proposing \emph{MinShap}, a modification of the Shapley value framework along with a suite of other related algorithms. In particular for MinShap, instead of taking the average marginal contributions over permutations of features, considers the minimum marginal contribution across permutations. We provide a theoretical foundation motivated by the faithfulness assumption in DAG (directed acyclic graphical models), a guarantee for the Type I error of MinShap, and show through numerical simulations and real data experiments that MinShap tends to outperform state-of-the-art feature selection algorithms such as LOCO, GCM and Lasso in terms of both accuracy and stability. We also introduce a suite of algorithms related to MinShap by using the multiple testing/p-value perspective that improves performance in lower-sample settings and provide supporting theoretical guarantees.
Shapley values are a principled attribution measure widely used in interpretable machine learning, but their exact computation scales exponentially with the number of players, motivating a wide range of approximation methods based on value function evaluations of sampled coalitions. This raises the question of whether approximation accuracy can be improved by adaptively selecting coalitions for evaluation based on previous evaluations. This is particularly relevant in settings where the value function is costly and the number of evaluations is severely limited, such as retraining-based feature importance, data valuation, and hyperparameter importance. For this purpose, we propose ShaplEIG, a Bayesian experimental design approach that approximates the expensive value function using a Gaussian process surrogate and adaptively selects coalitions based on their expected information gain about the Shapley values. By the linearity of the Shapley values in the value function, we show that the expected information gain is available in closed form. Furthermore, we propose an efficient computation scheme that reduces the complexity from exponential to polynomial in the number of players via elementary symmetric polynomials. In extensive experiments across diverse costly applications, our method consistently improves sample efficiency in the low-budget regime over state-of-the-art baselines.
David Rundel, Fabian Fumagalli, Maximilian Muschalik +2
We address the problem of explainability in machine learning models through feature attribution methods. In particular, we consider a variant of Shapley values known as Asymmetric Shapley Values (ASV), which enables the incorporation of causal knowledge into model-agnostic explanations through the use of a causal graph. We show that in certain contexts in which the computation of SHAP is #P-hard, the exact computation of ASV can be done in polynomial time. To extend this algorithmic result, we introduce a notion of equivalence classes over the topological orderings of the underlying causal graph, which is useful to reduce the time to compute ASV. In particular, we present a polynomial-time algorithm (in the number of equivalence classes) to compute it whenever the causal graph is a rooted directed tree. Finally, we develop an algorithm for approximating ASV in arbitrary causal DAGs which relies on a procedure to sample topological orderings uniformly at random. To implement this sampling mechanism we leverage known algorithms as well as simpler alternatives. Our experimental results demonstrate the practical viability of the proposed approach in realistic causal structures.
Ezequiel Companeetz, Santiago Cifuentes, Sergio Abriola