Interpreting Outliers in Time Series Data through Decoding Autoencoder

Outlier detection is a crucial analytical tool in various fields. In critical systems like manufacturing, malfunctioning outlier detection can be costly and safety-critical. Therefore, there is a significant need for explainable artificial intelligence (XAI) when deploying opaque models in such environments. This study focuses on manufacturing time series data from a German automotive supply industry. We utilize autoencoders to compress the entire time series and then apply anomaly detection techniques to its latent features. For outlier interpretation, we (i) adopt widely used XAI techniques to the autoencoder's encoder. Additionally, (ii) we propose AEE, Aggregated Explanatory Ensemble, a novel approach that fuses explanations of multiple XAI techniques into a single, more expressive interpretation. For evaluation of explanations, (iii) we propose a technique to measure the quality of encoder explanations quantitatively. Furthermore, we qualitatively assess the effectiveness of outlier explanations with domain expertise.

SYMPOL: Symbolic Tree-Based On-Policy Reinforcement Learning

Reinforcement learning (RL) has seen significant success across various domains, but its adoption is often limited by the black-box nature of neural network policies, making them difficult to interpret. In contrast, symbolic policies allow representing decision-making strategies in a compact and interpretable way. However, learning symbolic policies directly within on-policy methods remains challenging. In this paper, we introduce SYMPOL, a novel method for SYMbolic tree-based on-POLicy RL. SYMPOL employs a tree-based model integrated with a policy gradient method, enabling the agent to learn and adapt its actions while maintaining a high level of interpretability. We evaluate SYMPOL on a set of benchmark RL tasks, demonstrating its superiority over alternative tree-based RL approaches in terms of performance and interpretability. To the best of our knowledge, this is the first method, that allows a gradient-based end-to-end learning of interpretable, axis-aligned decision trees on-policy. Therefore, SYMPOL can become the foundation for a new class of interpretable RL based on decision trees. Our implementation is available under: https://github.com/s-marton/SYMPOL

A Data-Centric Perspective on Evaluating Machine Learning Models for Tabular Data

Tabular data is prevalent in real-world machine learning applications, and new models for supervised learning of tabular data are frequently proposed. Comparative studies assessing the performance of models typically consist of model-centric evaluation setups with overly standardized data preprocessing. This paper demonstrates that such model-centric evaluations are biased, as real-world modeling pipelines often require dataset-specific preprocessing and feature engineering. Therefore, we propose a data-centric evaluation framework. We select 10 relevant datasets from Kaggle competitions and implement expert-level preprocessing pipelines for each dataset. We conduct experiments with different preprocessing pipelines and hyperparameter optimization (HPO) regimes to quantify the impact of model selection, HPO, feature engineering, and test-time adaptation. Our main findings are: 1. After dataset-specific feature engineering, model rankings change considerably, performance differences decrease, and the importance of model selection reduces. 2. Recent models, despite their measurable progress, still significantly benefit from manual feature engineering. This holds true for both tree-based models and neural networks. 3. While tabular data is typically considered static, samples are often collected over time, and adapting to distribution shifts can be important even in supposedly static data. These insights suggest that research efforts should be directed toward a data-centric perspective, acknowledging that tabular data requires feature engineering and often exhibits temporal characteristics.

DSEG-LIME - Improving Image Explanation by Hierarchical Data-Driven Segmentation

Explainable Artificial Intelligence is critical in unraveling decision-making processes in complex machine learning models. LIME (Local Interpretable Model-agnostic Explanations) is a well-known XAI framework for image analysis. It utilizes image segmentation to create features to identify relevant areas for classification. Consequently, poor segmentation can compromise the consistency of the explanation and undermine the importance of the segments, affecting the overall interpretability. Addressing these challenges, we introduce DSEG-LIME (Data-Driven Segmentation LIME), featuring: i) a data-driven segmentation for human-recognized feature generation, and ii) a hierarchical segmentation procedure through composition. We benchmark DSEG-LIME on pre-trained models with images from the ImageNet dataset - scenarios without domain-specific knowledge. The analysis includes a quantitative evaluation using established XAI metrics, complemented by a qualitative assessment through a user study. Our findings demonstrate that DSEG outperforms in most of the XAI metrics and enhances the alignment of explanations with human-recognized concepts, significantly improving interpretability. The code is available under: https://github. com/patrick-knab/DSEG-LIME

GRANDE: Gradient-Based Decision Tree Ensembles

Despite the success of deep learning for text and image data, tree-based ensemble models are still state-of-the-art for machine learning with heterogeneous tabular data. However, there is a significant need for tabular-specific gradient-based methods due to their high flexibility. In this paper, we propose $\text{GRANDE}$, $\text{GRA}$die$\text{N}$t-Based $\text{D}$ecision Tree $\text{E}$nsembles, a novel approach for learning hard, axis-aligned decision tree ensembles using end-to-end gradient descent. GRANDE is based on a dense representation of tree ensembles, which affords to use backpropagation with a straight-through operator to jointly optimize all model parameters. Our method combines axis-aligned splits, which is a useful inductive bias for tabular data, with the flexibility of gradient-based optimization. Furthermore, we introduce an advanced instance-wise weighting that facilitates learning representations for both, simple and complex relations, within a single model. We conducted an extensive evaluation on a predefined benchmark with 19 classification datasets and demonstrate that our method outperforms existing gradient-boosting and deep learning frameworks on most datasets.

Learning Decision Trees with Gradient Descent

Decision Trees (DTs) are commonly used for many machine learning tasks due to their high degree of interpretability. However, learning a DT from data is a difficult optimization problem, as it is non-convex and non-differentiable. Therefore, common approaches learn DTs using a greedy growth algorithm that minimizes the impurity locally at each internal node. Unfortunately, this greedy procedure can lead to suboptimal trees. In this paper, we present a novel approach for learning hard, axis-aligned DTs with gradient descent. The proposed method uses backpropagation with a straight-through operator on a dense DT representation to jointly optimize all tree parameters. Our approach outperforms existing methods on binary classification benchmarks and achieves competitive results for multi-class tasks.

Explaining Neural Networks without Access to Training Data

We consider generating explanations for neural networks in cases where the network's training data is not accessible, for instance due to privacy or safety issues. Recently, $\mathcal{I}$-Nets have been proposed as a sample-free approach to post-hoc, global model interpretability that does not require access to training data. They formulate interpretation as a machine learning task that maps network representations (parameters) to a representation of an interpretable function. In this paper, we extend the $\mathcal{I}$-Net framework to the cases of standard and soft decision trees as surrogate models. We propose a suitable decision tree representation and design of the corresponding $\mathcal{I}$-Net output layers. Furthermore, we make $\mathcal{I}$-Nets applicable to real-world tasks by considering more realistic distributions when generating the $\mathcal{I}$-Net's training data. We empirically evaluate our approach against traditional global, post-hoc interpretability approaches and show that it achieves superior results when the training data is not accessible.

xRAI: Explainable Representations through AI

We present xRAI an approach for extracting symbolic representations of the mathematical function a neural network was supposed to learn from the trained network. The approach is based on the idea of training a so-called interpretation network that receives the weights and biases of the trained network as input and outputs the numerical representation of the function the network was supposed to learn that can be directly translated into a symbolic representation. We show that interpretation nets for different classes of functions can be trained on synthetic data offline using Boolean functions and low-order polynomials as examples. We show that the training is rather efficient and the quality of the results are promising. Our work aims to provide a contribution to the problem of better understanding neural decision making by making the target function explicit