Learning Exceptional Subgroups by End-to-End Maximizing KL-divergence

Finding and describing sub-populations that are exceptional regarding a target property has important applications in many scientific disciplines, from identifying disadvantaged demographic groups in census data to finding conductive molecules within gold nanoparticles. Current approaches to finding such subgroups require pre-discretized predictive variables, do not permit non-trivial target distributions, do not scale to large datasets, and struggle to find diverse results. To address these limitations, we propose Syflow, an end-to-end optimizable approach in which we leverage normalizing flows to model arbitrary target distributions, and introduce a novel neural layer that results in easily interpretable subgroup descriptions. We demonstrate on synthetic and real-world data, including a case study, that Syflow reliably finds highly exceptional subgroups accompanied by insightful descriptions.

Succint Interaction-Aware Explanations

SHAP is a popular approach to explain black-box models by revealing the importance of individual features. As it ignores feature interactions, SHAP explanations can be confusing up to misleading. NSHAP, on the other hand, reports the additive importance for all subsets of features. While this does include all interacting sets of features, it also leads to an exponentially sized, difficult to interpret explanation. In this paper, we propose to combine the best of these two worlds, by partitioning the features into parts that significantly interact, and use these parts to compose a succinct, interpretable, additive explanation. We derive a criterion by which to measure the representativeness of such a partition for a models behavior, traded off against the complexity of the resulting explanation. To efficiently find the best partition out of super-exponentially many, we show how to prune sub-optimal solutions using a statistical test, which not only improves runtime but also helps to detect spurious interactions. Experiments on synthetic and real world data show that our explanations are both more accurate resp. more easily interpretable than those of SHAP and NSHAP.

Data is Moody: Discovering Data Modification Rules from Process Event Logs

Although event logs are a powerful source to gain insight about the behavior of the underlying business process, existing work primarily focuses on finding patterns in the activity sequences of an event log, while ignoring event attribute data. Event attribute data has mostly been used to predict event occurrences and process outcome, but the state of the art neglects to mine succinct and interpretable rules how event attribute data changes during process execution. Subgroup discovery and rule-based classification approaches lack the ability to capture the sequential dependencies present in event logs, and thus lead to unsatisfactory results with limited insight into the process behavior. Given an event log, we are interested in finding accurate yet succinct and interpretable if-then rules how the process modifies data. We formalize the problem in terms of the Minimum Description Length (MDL) principle, by which we choose the model with the best lossless description of the data. Additionally, we propose the greedy Moody algorithm to efficiently search for rules. By extensive experiments on both synthetic and real-world data, we show Moody indeed finds compact and interpretable rules, needs little data for accurate discovery, and is robust to noise.

Finding Interpretable Class-Specific Patterns through Efficient Neural Search

Discovering patterns in data that best describe the differences between classes allows to hypothesize and reason about class-specific mechanisms. In molecular biology, for example, this bears promise of advancing the understanding of cellular processes differing between tissues or diseases, which could lead to novel treatments. To be useful in practice, methods that tackle the problem of finding such differential patterns have to be readily interpretable by domain experts, and scalable to the extremely high-dimensional data. In this work, we propose a novel, inherently interpretable binary neural network architecture DIFFNAPS that extracts differential patterns from data. DiffNaps is scalable to hundreds of thousands of features and robust to noise, thus overcoming the limitations of current state-of-the-art methods in large-scale applications such as in biology. We show on synthetic and real world data, including three biological applications, that, unlike its competitors, DiffNaps consistently yields accurate, succinct, and interpretable class descriptions

Understanding and Mitigating Classification Errors Through Interpretable Token Patterns

State-of-the-art NLP methods achieve human-like performance on many tasks, but make errors nevertheless. Characterizing these errors in easily interpretable terms gives insight into whether a classifier is prone to making systematic errors, but also gives a way to act and improve the classifier. We propose to discover those patterns of tokens that distinguish correct and erroneous predictions as to obtain global and interpretable descriptions for arbitrary NLP classifiers. We formulate the problem of finding a succinct and non-redundant set of such patterns in terms of the Minimum Description Length principle. Through an extensive set of experiments, we show that our method, Premise, performs well in practice. Unlike existing solutions, it recovers ground truth, even on highly imbalanced data over large vocabularies. In VQA and NER case studies, we confirm that it gives clear and actionable insight into the systematic errors made by NLP classifiers.

Towards Concept-Aware Large Language Models

Concepts play a pivotal role in various human cognitive functions, including learning, reasoning and communication. However, there is very little work on endowing machines with the ability to form and reason with concepts. In particular, state-of-the-art large language models (LLMs) work at the level of tokens, not concepts. In this work, we analyze how well contemporary LLMs capture human concepts and their structure. We then discuss ways to develop concept-aware LLMs, taking place at different stages of the pipeline. We sketch a method for pretraining LLMs using concepts, and also explore the simpler approach that uses the output of existing LLMs. Despite its simplicity, our proof-of-concept is shown to better match human intuition, as well as improve the robustness of predictions. These preliminary results underscore the promise of concept-aware LLMs.

Efficiently Factorizing Boolean Matrices using Proximal Gradient Descent

Addressing the interpretability problem of NMF on Boolean data, Boolean Matrix Factorization (BMF) uses Boolean algebra to decompose the input into low-rank Boolean factor matrices. These matrices are highly interpretable and very useful in practice, but they come at the high computational cost of solving an NP-hard combinatorial optimization problem. To reduce the computational burden, we propose to relax BMF continuously using a novel elastic-binary regularizer, from which we derive a proximal gradient algorithm. Through an extensive set of experiments, we demonstrate that our method works well in practice: On synthetic data, we show that it converges quickly, recovers the ground truth precisely, and estimates the simulated rank exactly. On real-world data, we improve upon the state of the art in recall, loss, and runtime, and a case study from the medical domain confirms that our results are easily interpretable and semantically meaningful.

Preserving local densities in low-dimensional embeddings

Low-dimensional embeddings and visualizations are an indispensable tool for analysis of high-dimensional data. State-of-the-art methods, such as tSNE and UMAP, excel in unveiling local structures hidden in high-dimensional data and are therefore routinely applied in standard analysis pipelines in biology. We show, however, that these methods fail to reconstruct local properties, such as relative differences in densities (Fig. 1) and that apparent differences in cluster size can arise from computational artifact caused by differing sample sizes (Fig. 2). Providing a theoretical analysis of this issue, we then suggest dtSNE, which approximately conserves local densities. In an extensive study on synthetic benchmark and real world data comparing against five state-of-the-art methods, we empirically show that dtSNE provides similar global reconstruction, but yields much more accurate depictions of local distances and relative densities.

All the World's a (Hyper)Graph: A Data Drama

We introduce Hyperbard, a dataset of diverse relational data representations derived from Shakespeare's plays. Our representations range from simple graphs capturing character co-occurrence in single scenes to hypergraphs encoding complex communication settings and character contributions as hyperedges with edge-specific node weights. By making multiple intuitive representations readily available for experimentation, we facilitate rigorous representation robustness checks in graph learning, graph mining, and network analysis, highlighting the advantages and drawbacks of specific representations. Leveraging the data released in Hyperbard, we demonstrate that many solutions to popular graph mining problems are highly dependent on the representation choice, thus calling current graph curation practices into question. As an homage to our data source, and asserting that science can also be art, we present all our points in the form of a play.

Differentially Describing Groups of Graphs

How does neural connectivity in autistic children differ from neural connectivity in healthy children or autistic youths? What patterns in global trade networks are shared across classes of goods, and how do these patterns change over time? Answering questions like these requires us to differentially describe groups of graphs: Given a set of graphs and a partition of these graphs into groups, discover what graphs in one group have in common, how they systematically differ from graphs in other groups, and how multiple groups of graphs are related. We refer to this task as graph group analysis, which seeks to describe similarities and differences between graph groups by means of statistically significant subgraphs. To perform graph group analysis, we introduce Gragra, which uses maximum entropy modeling to identify a non-redundant set of subgraphs with statistically significant associations to one or more graph groups. Through an extensive set of experiments on a wide range of synthetic and real-world graph groups, we confirm that Gragra works well in practice.