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.

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.

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.

This paper proposes a novel representation to support computing metrics that help understanding and improving in real-time a team's behavior during problem solving in real-life. Even though teams are important in modern activities, there is little computing aid to improve their activity. The representation captures the different mental images developed, enhanced, and utilized during solving. A case study illustrates the representation.

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.

Abstract: Predominately in explainable artificial intelligence (XAI) research, the Shapley value (SV) is applied to determine feature importance scores for any black box model. Shapley interaction indices extend the Shapley value to define any-order feature interaction scores. 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. We, however, propose SHAPley Interaction Quantification (SHAP-IQ), an efficient sampling-based approximator to compute Shapley interactions for all three definitions, as well as all other that satisfy the linearity, symmetry and dummy axiom.

Research into automated systems for detecting and classifying marine mammals in acoustic recordings is expanding internationally due to the necessity to analyze large collections of data for conservation purposes. In this work, we present a Convolutional Neural Network that is capable of classifying the vocalizations of three species of whales, non-biological sources of noise, and a fifth class pertaining to ambient noise. In this way, the classifier is capable of detecting the presence and absence of whale vocalizations in an acoustic recording. Through transfer learning, we show that the classifier is capable of learning high-level representations and can generalize to additional species. We also propose a novel representation of acoustic signals that builds upon the commonly used spectrogram representation by way of interpolating and stacking multiple spectrograms produced using different Short-time Fourier Transform (STFT) parameters. The proposed representation is particularly effective for the task of marine mammal species classification where the acoustic events we are attempting to classify are sensitive to the parameters of the STFT.

Motivation: Drug discovery demands rapid quantification of compound-protein interaction (CPI). However, there is a lack of methods that can predict compound-protein affinity from sequences alone with high applicability, accuracy, and interpretability. Results: We present a seamless integration of domain knowledges and learning-based approaches. Under novel representations of structurally-annotated protein sequences, a semi-supervised deep learning model that unifies recurrent and convolutional neural networks has been proposed to exploit both unlabeled and labeled data, for jointly encoding molecular representations and predicting affinities. Our representations and models outperform conventional options in achieving relative error in IC50 within 5-fold for test cases and 10-fold for protein classes not included for training. Performances for new protein classes with few labeled data are further improved by transfer learning. Furthermore, an attention mechanism is embedded to our model to add to its interpretability, as illustrated in case studies for predicting and explaining selective drug-target interactions.

Deep Neural Networks (DNNs) have become very popular for prediction in many areas. Their strength is in representation with a high number of parameters that are commonly learned via gradient descent or similar optimization methods. However, the representation is non-standardized, and the gradient calculation methods are often performed using component-based approaches that break parameters down into scalar units, instead of considering the parameters as whole entities. In this work, these problems are addressed. Standard notation is used to represent DNNs in a compact framework. Gradients of DNN loss functions are calculated directly over the inner product space on which the parameters are defined. This framework is general and is applied to two common network types: the Multilayer Perceptron and the Deep Autoencoder.