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From Decision Trees to Boolean Logic: A Fast and Unified SHAP Algorithm

Nadel, Alexander, Wettenstein, Ron

arXiv.org Artificial Intelligence

SHapley Additive exPlanations (SHAP) is a key tool for interpreting decision tree ensembles by assigning contribution values to features. It is widely used in finance, advertising, medicine, and other domains. Two main approaches to SHAP calculation exist: Path-Dependent SHAP, which leverages the tree structure for efficiency, and Background SHAP, which uses a background dataset to estimate feature distributions. We introduce WOODELF, a SHAP algorithm that integrates decision trees, game theory, and Boolean logic into a unified framework. For each consumer, WOODELF constructs a pseudo-Boolean formula that captures their feature values, the structure of the decision tree ensemble, and the entire background dataset. It then leverages this representation to compute Background SHAP in linear time. WOODELF can also compute Path-Dependent SHAP, Shapley interaction values, Banzhaf values, and Banzhaf interaction values. WOODELF is designed to run efficiently on CPU and GPU hardware alike. Available via the WOODELF Python package, it is implemented using NumPy, SciPy, and CuPy without relying on custom C++ or CUDA code. This design enables fast performance and seamless integration into existing frameworks, supporting large-scale computation of SHAP and other game-theoretic values in practice. For example, on a dataset with 3,000,000 rows, 5,000,000 background samples, and 127 features, WOODELF computed all Background Shapley values in 162 seconds on CPU and 16 seconds on GPU - compared to 44 minutes required by the best method on any hardware platform, representing 16x and 165x speedups, respectively.


Contrastive Dimension Reduction: A Systematic Review

Hawke, Sam, Zhang, Eric, Chen, Jiawen, Li, Didong

arXiv.org Machine Learning

Contrastive dimension reduction (CDR) methods aim to extract signal unique to or enriched in a treatment (foreground) group relative to a control (background) group. This setting arises in many scientific domains, such as genomics, imaging, and time series analysis, where traditional dimension reduction techniques such as Principal Component Analysis (PCA) may fail to isolate the signal of interest. In this review, we provide a systematic overview of existing CDR methods. We propose a pipeline for analyzing case-control studies together with a taxonomy of CDR methods based on their assumptions, objectives, and mathematical formulations, unifying disparate approaches under a shared conceptual framework. We highlight key applications and challenges in existing CDR methods, and identify open questions and future directions. By providing a clear framework for CDR and its applications, we aim to facilitate broader adoption and motivate further developments in this emerging field.



Explaining Deep Learning-based Anomaly Detection in Energy Consumption Data by Focusing on Contextually Relevant Data

Noorchenarboo, Mohammad, Grolinger, Katarina

arXiv.org Artificial Intelligence

Detecting anomalies in energy consumption data is crucial for identifying energy waste, equipment malfunction, and overall, for ensuring efficient energy management. Machine learning, and specifically deep learning approaches, have been greatly successful in anomaly detection; however, they are black-box approaches that do not provide transparency or explanations. SHAP and its variants have been proposed to explain these models, but they suffer from high computational complexity (SHAP) or instability and inconsistency (e.g., Kernel SHAP). To address these challenges, this paper proposes an explainability approach for anomalies in energy consumption data that focuses on context-relevant information. The proposed approach leverages existing explainability techniques, focusing on SHAP variants, together with global feature importance and weighted cosine similarity to select background dataset based on the context of each anomaly point. By focusing on the context and most relevant features, this approach mitigates the instability of explainability algorithms. Experimental results across 10 different machine learning models, five datasets, and five XAI techniques, demonstrate that our method reduces the variability of explanations providing consistent explanations. Statistical analyses confirm the robustness of our approach, showing an average reduction in variability of approximately 38% across multiple datasets.


Clustering-friendly Representation Learning for Enhancing Salient Features

Oshima, Toshiyuki, Takagi, Kentaro, Nakata, Kouta

arXiv.org Artificial Intelligence

Recently, representation learning with contrastive learning algorithms has been successfully applied to challenging unlabeled datasets. However, these methods are unable to distinguish important features from unimportant ones under simply unsupervised settings, and definitions of importance vary according to the type of downstream task or analysis goal, such as the identification of objects or backgrounds. In this paper, we focus on unsupervised image clustering as the downstream task and propose a representation learning method that enhances features critical to the clustering task. We extend a clustering-friendly contrastive learning method and incorporate a contrastive analysis approach, which utilizes a reference dataset to separate important features from unimportant ones, into the design of loss functions. Conducting an experimental evaluation of image clustering for three datasets with characteristic backgrounds, we show that for all datasets, our method achieves higher clustering scores compared with conventional contrastive analysis and deep clustering methods.


Feature Selection in the Contrastive Analysis Setting

Weinberger, Ethan, Covert, Ian, Lee, Su-In

arXiv.org Artificial Intelligence

Contrastive analysis (CA) refers to the exploration of variations uniquely enriched in a target dataset as compared to a corresponding background dataset generated from sources of variation that are irrelevant to a given task. For example, a biomedical data analyst may wish to find a small set of genes to use as a proxy for variations in genomic data only present among patients with a given disease (target) as opposed to healthy control subjects (background). However, as of yet the problem of feature selection in the CA setting has received little attention from the machine learning community. In this work we present contrastive feature selection (CFS), a method for performing feature selection in the CA setting. We motivate our approach with a novel information-theoretic analysis of representation learning in the CA setting, and we empirically validate CFS on a semi-synthetic dataset and four real-world biomedical datasets. We find that our method consistently outperforms previously proposed state-of-the-art supervised and fully unsupervised feature selection methods not designed for the CA setting. An open-source implementation of our method is available at https://github.com/suinleelab/CFS.


On marginal feature attributions of tree-based models

Filom, Khashayar, Miroshnikov, Alexey, Kotsiopoulos, Konstandinos, Kannan, Arjun Ravi

arXiv.org Artificial Intelligence

Due to their power and ease of use, tree-based machine learning models, such as random forests and gradient-boosted tree ensembles, have become very popular. To interpret them, local feature attributions based on marginal expectations, e.g. marginal (interventional) Shapley, Owen or Banzhaf values, may be employed. Such methods are true to the model and implementation invariant, i.e. dependent only on the input-output function of the model. We contrast this with the popular TreeSHAP algorithm by presenting two (statistically similar) decision trees that compute the exact same function for which the "path-dependent" TreeSHAP yields different rankings of features, whereas the marginal Shapley values coincide. Furthermore, we discuss how the internal structure of tree-based models may be leveraged to help with computing their marginal feature attributions according to a linear game value. One important observation is that these are simple (piecewise-constant) functions with respect to a certain grid partition of the input space determined by the trained model. Another crucial observation, showcased by experiments with XGBoost, LightGBM and CatBoost libraries, is that only a portion of all features appears in a tree from the ensemble. Thus, the complexity of computing marginal Shapley (or Owen or Banzhaf) feature attributions may be reduced. This remains valid for a broader class of game values which we shall axiomatically characterize. A prime example is the case of CatBoost models where the trees are oblivious (symmetric) and the number of features in each of them is no larger than the depth. We exploit the symmetry to derive an explicit formula, with improved complexity and only in terms of the internal model parameters, for marginal Shapley (and Banzhaf and Owen) values of CatBoost models. This results in a fast, accurate algorithm for estimating these feature attributions.


mBEST: Realtime Deformable Linear Object Detection Through Minimal Bending Energy Skeleton Pixel Traversals

Choi, Andrew, Tong, Dezhong, Park, Brian, Terzopoulos, Demetri, Joo, Jungseock, Jawed, Mohammad Khalid

arXiv.org Artificial Intelligence

Robotic manipulation of deformable materials is a challenging task that often requires realtime visual feedback. This is especially true for deformable linear objects (DLOs) or "rods", whose slender and flexible structures make proper tracking and detection nontrivial. To address this challenge, we present mBEST, a robust algorithm for the realtime detection of DLOs that is capable of producing an ordered pixel sequence of each DLO's centerline along with segmentation masks. Our algorithm obtains a binary mask of the DLOs and then thins it to produce a skeleton pixel representation. After refining the skeleton to ensure topological correctness, the pixels are traversed to generate paths along each unique DLO. At the core of our algorithm, we postulate that intersections can be robustly handled by choosing the combination of paths that minimizes the cumulative bending energy of the DLO(s). We show that this simple and intuitive formulation outperforms the state-of-the-art methods for detecting DLOs with large numbers of sporadic crossings ranging from curvatures with high variance to nearly-parallel configurations. Furthermore, our method achieves a significant performance improvement of approximately 50% faster runtime and better scaling over the state of the art.


An empirical study of the effect of background data size on the stability of SHapley Additive exPlanations (SHAP) for deep learning models

Yuan, Han, Liu, Mingxuan, Kang, Lican, Miao, Chenkui, Wu, Ying

arXiv.org Artificial Intelligence

Nowadays, the interpretation of why a machine learning (ML) model makes certain inferences is as crucial as the accuracy of such inferences. Some ML models like the decision tree possess inherent interpretability that can be directly comprehended by humans. Others like artificial neural networks (ANN), however, rely on external methods to uncover the deduction mechanism. SHapley Additive exPlanations (SHAP) is one of such external methods, which requires a background dataset when interpreting ANNs. Generally, a background dataset consists of instances randomly sampled from the training dataset. However, the sampling size and its effect on SHAP remain to be unexplored. In our empirical study on the MIMIC-III dataset, we show that the two core explanations - SHAP values and variable rankings fluctuate when using different background datasets acquired from random sampling, indicating that users cannot unquestioningly trust the one-shot interpretation from SHAP. Luckily, such fluctuation decreases with the increase of the background dataset size. Also, we notice an U-shape in the stability assessment of SHAP variable rankings, demonstrating that SHAP is more reliable in ranking the most and least important variables compared to moderately important ones. Overall, our results suggest that users should take into account how background data affects SHAP results, with improved SHAP stability as the background sample size increases.