Predominately in explainable artificial intelligence (XAI) research, the Shapley value (SV) is applied to determine feature attributions for any black box model. Shapley interaction indices extend the SV to define any-order feature interactions. Defining a unique Shapley interaction index is an open research question and, so far, three definitions have been proposed, which differ by their choice of axioms. Moreover, each definition requires a specific approximation technique. Here, we propose SHAPley Interaction Quantification (SHAP-IQ), an efficient sampling-based approximator to compute Shapley interactions for arbitrary cardinal interaction indices (CII), i.e. interaction indices that satisfy the linearity, symmetry and dummy axiom. SHAP-IQ is based on a novel representation and, in contrast to existing methods, we provide theoretical guarantees for its approximation quality, as well as estimates for the variance of the point estimates. For the special case of SV, our approach reveals a novel representation of the SV and corresponds to Unbiased KernelSHAP with a greatly simplified calculation. We illustrate the computational efficiency and effectiveness by explaining language, image classification and high-dimensional synthetic models.

Large language models (LLMs) have revolutionized machine learning due to their ability to capture complex interactions between input features. Popular post-hoc explanation methods like SHAP provide marginal feature attributions, while their extensions to interaction importances only scale to small input lengths ($\approx 20$). We propose Spectral Explainer (SPEX), a model-agnostic interaction attribution algorithm that efficiently scales to large input lengths ($\approx 1000)$. SPEX exploits underlying natural sparsity among interactions -- common in real-world data -- and applies a sparse Fourier transform using a channel decoding algorithm to efficiently identify important interactions. We perform experiments across three difficult long-context datasets that require LLMs to utilize interactions between inputs to complete the task. For large inputs, SPEX outperforms marginal attribution methods by up to 20% in terms of faithfully reconstructing LLM outputs. Further, SPEX successfully identifies key features and interactions that strongly influence model output. For one of our datasets, HotpotQA, SPEX provides interactions that align with human annotations. Finally, we use our model-agnostic approach to generate explanations to demonstrate abstract reasoning in closed-source LLMs (GPT-4o mini) and compositional reasoning in vision-language models.

Feature attribution methods have become essential for explaining machine learning models. Many popular approaches, such as SHAP and Banzhaf values, are grounded in power indices from cooperative game theory, which measure the contribution of features to model predictions. This work studies the computational complexity of power indices beyond SHAP, addressing the conditions under which they can be computed efficiently. We identify a simple condition on power indices that ensures that computation is polynomially equivalent to evaluating expected values, extending known results for SHAP. We also introduce Bernoulli power indices, showing that their computation can be simplified to a constant number of expected value evaluations. Furthermore, we explore interaction power indices that quantify the importance of feature subsets, proving that their computation complexity mirrors that of individual features.

The black box problem in machine learning has led to the introduction of an ever-increasing set of explanation methods for complex models. These explanations have different properties, which in turn has led to the problem of method selection: which explanation method is most suitable for a given use case? In this work, we propose a unifying framework of attribution-based explanation methods, which provides a step towards a rigorous study of the similarities and differences of explanations. We first introduce removal-based attribution methods (RBAMs), and show that an extensively broad selection of existing methods can be viewed as such RBAMs. We then introduce the canonical additive decomposition (CAD). This is a general construction for additively decomposing any function based on the central idea of removing (groups of) features. We proceed to show that indeed every valid additive decomposition is an instance of the CAD, and that any removal-based attribution method is associated with a specific CAD. Next, we show that any removal-based attribution method can be completely defined as a game-theoretic value or interaction index for a specific (possibly constant-shifted) cooperative game, which is defined using the corresponding CAD of the method. We then use this intrinsic connection to define formal descriptions of specific behaviours of explanation methods, which we also call functional axioms, and identify sufficient conditions on the corresponding CAD and game-theoretic value or interaction index of an attribution method under which the attribution method is guaranteed to adhere to these functional axioms. Finally, we show how this unifying framework can be used to develop new, efficient approximations for existing explanation methods.

Predominately in explainable artificial intelligence (XAI) research, the Shapley value (SV) is applied to determine feature attributions for any black box model. Shapley interaction indices extend the SV to define any-order feature interactions. Defining a unique Shapley interaction index is an open research question and, so far, three definitions have been proposed, which differ by their choice of axioms. Moreover, each definition requires a specific approximation technique. Here, we propose SHAPley Interaction Quantification (SHAP-IQ), an efficient sampling-based approximator to compute Shapley interactions for arbitrary cardinal interaction indices (CII), i.e. interaction indices that satisfy the linearity, symmetry and dummy axiom. SHAP-IQ is based on a novel representation and, in contrast to existing methods, we provide theoretical guarantees for its approximation quality, as well as estimates for the variance of the point estimates.

The Shapley value is a prominent tool for interpreting black-box machine learning models thanks to its strong theoretical foundation. However, for models with structured inputs, such as graph neural networks, existing Shapley-based explainability approaches either focus solely on node-wise importance or neglect the graph structure when perturbing the input instance. This paper introduces the Myerson-Taylor interaction index that internalizes the graph structure into attributing the node values and the interaction values among nodes. Unlike the Shapley-based methods, the Myerson-Taylor index decomposes coalitions into components satisfying a pre-chosen connectivity criterion. We prove that the Myerson-Taylor index is the unique one that satisfies a system of five natural axioms accounting for graph structure and high-order interaction among nodes. Leveraging these properties, we propose Myerson-Taylor Structure-Aware Graph Explainer (MAGE), a novel explainer that uses the second-order Myerson-Taylor index to identify the most important motifs influencing the model prediction, both positively and negatively. Extensive experiments on various graph datasets and models demonstrate that our method consistently provides superior subgraph explanations compared to state-of-the-art methods.