Decision trees are regarded for high interpretability arising from their hierarchical partitioning structure built on simple decision rules. However, in practice, this is not realized because axis-aligned partitioning of realistic data results in deep trees, and because ensemble methods are used to mitigate overfitting. Even then, model complexity and performance remain sensitive to transformation of the input, and extensive expert crafting of features from the raw data is common. We propose the first system to alternate sparse feature learning with differentiable decision tree construction to produce small, interpretable trees with good performance. We benchmark against conventional tree-based models and demonstrate several notions of interpretation of a model and its predictions.

Ensemble models are widely recognized in the ML community for their limited interpretability. For instance, while a single decision tree is considered interpretable, ensembles of trees (e.g., boosted trees) are often treated as black-boxes. Despite this folklore recognition, there remains a lack of rigorous mathematical understanding of what particularly makes an ensemble (un)-interpretable, including how fundamental factors like the (1) *number*, (2) *size*, and (3) *type* of base models influence its interpretability. In this work, we seek to bridge this gap by applying concepts from computational complexity theory to study the challenges of generating explanations for various ensemble configurations. Our analysis uncovers nuanced complexity patterns influenced by various factors. For example, we demonstrate that under standard complexity assumptions like P$\neq$NP, interpreting ensembles remains intractable even when base models are of constant size. Surprisingly, the complexity changes drastically with the number of base models: small ensembles of decision trees are efficiently interpretable, whereas interpreting ensembles with even a constant number of linear models remains intractable. We believe that our findings provide a more robust foundation for understanding the interpretability of ensembles, emphasizing the benefits of examining it through a computational complexity lens.

Decision trees are regarded for high interpretability arising from their hierarchical partitioning structure built on simple decision rules. However, in practice, this is not realized because axis-aligned partitioning of realistic data results in deep trees, and because ensemble methods are used to mitigate overfitting. Even then, model complexity and performance remain sensitive to transformation of the input, and extensive expert crafting of features from the raw data is common. We propose the first system to alternate sparse feature learning with differentiable decision tree construction to produce small, interpretable trees with good performance. We benchmark against conventional tree-based models and demonstrate several notions of interpretation of a model and its predictions.

Nonlinear causal discovery from observational data imposes strict identifiability assumptions on the formulation of structural equations utilized in the data generating process. The evaluation of structure learning methods under assumption violations requires a rigorous and interpretable approach, which quantifies both the structural similarity of the estimation with the ground truth and the capacity of the discovered graphs to be used for causal inference. Motivated by the lack of unified performance assessment framework, we introduce an interpretable, six-dimensional evaluation metric, i.e., distance to optimal solution (DOS), which is specifically tailored to the field of causal discovery. Furthermore, this is the first research to assess the performance of structure learning algorithms from seven different families on increasing percentage of non-identifiable, nonlinear causal patterns, inspired by real-world processes. Our large-scale simulation study, which incorporates seven experimental factors, shows that besides causal order-based methods, amortized causal discovery delivers results with comparatively high proximity to the optimal solution.

Model interpretability has long been a hard problem for the AI community especially in the multimodal setting, where vision and language need to be aligned and reasoned at the same time. In this paper, we specifically focus on the problem of Visual Question Answering (VQA). While previous researches try to probe into the network structures of black-box multimodal models, we propose to tackle the problem from a different angle -- to treat interpretability as an explicit additional goal. Given an image and question, we argue that an interpretable VQA model should be able to tell what conclusions it can get from which part of the image, and show how each statement help to arrive at an answer. We introduce InterVQA: Interpretable-by-design VQA, where we design an explicit intermediate dynamic reasoning structure for VQA problems and enforce symbolic reasoning that only use the structure for final answer prediction to take place. InterVQA produces high-quality explicit intermediate reasoning steps, while maintaining similar to the state-of-the-art (sota) end-task performance.

Data-driven Clinical Decision Support Systems (CDSS) have the potential to improve and standardise care with personalised probabilistic guidance. However, the size of data required necessitates collaborative learning from analogous CDSS's, which are often unsharable or imperfectly interoperable (IIO), meaning their feature sets are not perfectly overlapping. We propose Modular Clinical Decision Support Networks (MoDN) which allow flexible, privacy-preserving learning across IIO datasets, while providing interpretable, continuous predictive feedback to the clinician. MoDN is a novel decision tree composed of feature-specific neural network modules. It creates dynamic personalised representations of patients, and can make multiple predictions of diagnoses, updatable at each step of a consultation. The modular design allows it to compartmentalise training updates to specific features and collaboratively learn between IIO datasets without sharing any data.

The accuracy of recent deep learning based clinical decision support systems is promising. However, lack of model interpretability remains an obstacle to widespread adoption of artificial intelligence in healthcare. Using sleep as a case study, we propose a generalizable method to combine clinical interpretability with high accuracy derived from black-box deep learning. Clinician-determined sleep stages from polysomnogram (PSG) remain the gold standard for evaluating sleep quality. However, PSG manual annotation by experts is expensive and time-prohibitive. We propose SERF, interpretable Sleep staging using Embeddings, Rules, and Features to read PSG. SERF provides interpretation of classified sleep stages through meaningful features derived from the AASM Manual for the Scoring of Sleep and Associated Events. In SERF, the embeddings obtained from a hybrid of convolutional and recurrent neural networks are transposed to the interpretable feature space. These representative interpretable features are used to train simple models like a shallow decision tree for classification. Model results are validated on two publicly available datasets. SERF surpasses the current state-of-the-art for interpretable sleep staging by 2%. Using Gradient Boosted Trees as the classifier, SERF obtains 0.766 $\kappa$ and 0.870 AUC-ROC, within 2% of the current state-of-the-art black-box models.

A clustering outcome for high-dimensional data is typically interpreted via post-processing, involving dimension reduction and subsequent visualization. This destroys the meaning of the data and obfuscates interpretations. We propose algorithm-agnostic interpretation methods to explain clustering outcomes in reduced dimensions while preserving the integrity of the data. The permutation feature importance for clustering represents a general framework based on shuffling feature values and measuring changes in cluster assignments through custom score functions. The individual conditional expectation for clustering indicates observation-wise changes in the cluster assignment due to changes in the data. The partial dependence for clustering evaluates average changes in cluster assignments for the entire feature space. All methods can be used with any clustering algorithm able to reassign instances through soft or hard labels. In contrast to common post-processing methods such as principal component analysis, the introduced methods maintain the original structure of the features.

Detection of semantic similarity plays a vital role in sentence matching. It requires to learn discriminative representations of natural language. Recently, owing to more and more sophisticated model architecture, impressive progress has been made, along with a time-consuming training process and not-interpretable inference. To alleviate this problem, we explore a metric learning approach, named FILM (Fast, Interpretable, and Low-rank Metric learning) to efficiently find a high discriminative projection of the high-dimensional data. We construct this metric learning problem as a manifold optimization problem and solve it with the Cayley transformation method with the Barzilai-Borwein step size. In experiments, we apply FILM with triplet loss minimization objective to the Quora Challenge and Semantic Textual Similarity (STS) Task. The results demonstrate that the FILM method achieves superior performance as well as the fastest computation speed, which is consistent with our theoretical analysis of time complexity.

Extracting insight from the enormous quantity of data generated from molecular simulations requires the identification of a small number of collective variables whose corresponding low-dimensional free-energy landscape retains the essential features of the underlying system. Data-driven techniques provide a systematic route to constructing this landscape, without the need for extensive a priori intuition into the relevant driving forces. In particular, autoencoders are powerful tools for dimensionality reduction, as they naturally force an information bottleneck and, thereby, a low-dimensional embedding of the essential features. While variational autoencoders ensure continuity of the embedding by assuming a unimodal Gaussian prior, this is at odds with the multi-basin free-energy landscapes that typically arise from the identification of meaningful collective variables. In this work, we incorporate this physical intuition into the prior by employing a Gaussian mixture variational autoencoder (GMVAE), which encourages the separation of metastable states within the embedding. The GMVAE performs dimensionality reduction and clustering within a single unified framework, and is capable of identifying the inherent dimensionality of the input data, in terms of the number of Gaussians required to categorize the data. We illustrate our approach on two toy models, alanine dipeptide, and a challenging disordered peptide ensemble, demonstrating the enhanced clustering effect of the GMVAE prior compared to standard VAEs. The resulting embeddings appear to be promising representations for constructing Markov state models, highlighting the transferability of the dimensionality reduction from static equilibrium properties to dynamics.