Feature interaction graphs for exact interpretable learning solver selection: an empirical diagnostic study.

Complexity-Budgeted, Interaction-Aware Interpretable Model for Tabular Data

Results support IAIML as a compact, interaction-aware framework appropriate for settings where bounded explanation size and controlled treatment of feature interactions are design requirements.

ProgNet: Program-Grounded Evidence Composition for Interpretable Graph Classification

We present ProgNet, a graph learning framework for interpretable graph classification that treats explanatory structures as first-class, reusable components of the prediction mechanism. Departing from existing methods that generate isolated, instance-specific explanations, ProgNet introduces a paradigm where reasoning is grounded in a shared vocabulary of reusable structural programs. Specifically, ProgNet represents each graph using a shared vocabulary of human-interpretable programs written in a graph pattern description language, grounding predictions in explicit structural evidence rather than latent embeddings alone. The vocabulary is constructed to promote both coverage and diversity, yielding compact and reusable structural primitives that generalize across instances. Classification is performed via an inherently decomposable evidence composition network that scores and aggregates program-level evidence, resulting in predictions whose logits admit additive, signed attributions. Extensive experiments on eight graph classification benchmarks demonstrate that ProgNet achieves competitive predictive accuracy while providing more faithful explanations.

path_boost: A Python Package for Interpretable Graph-Level Prediction using Path-Based Gradient Boosting

We present path_boost, a Python package for interpretable supervised learning on graph-structured input data. The package implements PathBoost, a gradient boosting algorithm that automatically discovers predictive labeled paths within graphs during the learning process. Unlike graph neural networks, which are generally difficult to interpret, PathBoost produces an additive prediction model over path-based features that explicitly reveals which substructures drive predictions. To avoid an exhaustive enumeration of all possible paths, the algorithm iteratively selects and extends paths during learning based on their predictive power, using boosting to combine weak learners into a strong ensemble. The package supports both regression and binary classification. Key features include compatibility with scikit-learn workflows, support for custom base learners and selectors, automatic starting node selection, parallel training across anchor nodes, and built-in variable importance computation. We demonstrate PathBoost on molecular property prediction of transition metal compounds, where atoms serve as nodes and bonds as edges, and further benchmark PathBoost against an established graph neural network and a graph kernel method across six molecular datasets. The package is available on PyPI and GitHub under an open-source license.

Learning Unified Graph and Language Representations for SMT Algorithm Selection

Evolutionary Feature Engineering for Structured Data

Large language models are increasingly used as open-ended search operators in evolutionary optimization. We introduce Evolutionary Feature Engineering (EFE), a framework for using LLM-based evolution to discover preprocessing transformations for structured data. EFE represents transformations as Python programs with a standardized fit/transform interface, allowing them to be inserted directly into existing machine learning pipelines. During evolution, candidate programs are refined using dataset context, summary statistics, and downstream performance feedback on validation set. We instantiate EFE in two settings. For time-series forecasting, EFE-Time learns invertible, dataset-specific normalizations that improve off-the-shelf time-series foundation models. It reduces forecasting errors (MASE, WQL, MAE) 3% or more when averaged across datasets and improvements are as much as 19% on the COVID-Deaths dataset. Notably, these improvements occur with recent TSFMs such as Chronos-2. For tabular prediction, EFE-Tab evolves compact feature programs that add useful interpretable features and remove redundant ones, improving or matching existing LLM-based feature-engineering methods. We found EFE-Tab to be particularly effective on classical decision trees, where small sets of evolved features yield competitive accuracy while preserving interpretability. Overall, EFE demonstrates that LLM-based evolution can improve both accuracy and interpretability when automatically tackling structured data.

DeepPySR -- A Symbolic Regression Framework with Dynamic Pruning, Pareto Selection, and Hierarchical Composition for Real-World Scientific Discovery

Symbolic regression (SR) discovers analytical equations from data, yielding glass-box models with directly interpretable formulas, unlike black-box methods that rely on unstable post-hoc tools such as SHAP or LIME. This transparency is crucial in clinical medicine and social science, but SR faces three challenges: high-dimensional inputs, principled selection of Pareto-front formulae, and data irregularities such as multicollinearity and class imbalance. We introduce DeepPySR, which addresses these issues with a dynamic variable-pruning schedule to remove irrelevant features during search, an exponential Pareto selection criterion that eliminates trade-offs between accuracy and complexity, and a multi-layer architecture for hierarchical symbolic composition. On four Feynman physics benchmarks and seven biomedical and social-science datasets, DeepPySR outperforms PySR and baselines on body fat (R$^2$: 0.794 vs.\ 0.702), heart disease (F1: 0.898 vs.\ 0.787), student performance (R$^2$: 0.964 vs.\ 0.948), and Raine BMI (R$^2$: 0.525 vs.\ 0.370), producing interpretable formulas aligned with domain risk factors.