SCPP: A Unified Python Library for Soft Clustering

Clustering is a fundamental problem in data science with a long-standing research history, yielding numerous insightful algorithms. Despite this progress, a systematic and large-scale empirical evaluation that jointly considers conventional algorithms, deep learning-based methods, and recent foundation model-based clustering remains largely absent, leading to limited guidance on algorithm selection and deployment. To address this gap, we introduce CLUBench, a comprehensive clustering benchmark comprising 24 algorithms of diverse principles evaluated on 131 datasets across tabular, text, and image data, involving 178,815 experiments. Importantly, our analyses of (i) the impact of hyperparameter tuning,(ii) the impact of data types and characteristics,(iii) the impact of pretrained embeddings,(iv) large language model-based clustering,(v) the similarity of algorithms, and (vi) the low-rank structures of performance matrices, yield meaningful insights and promising pathways for clustering research. For instance, our study reveals that: 1) All evaluated deep clustering methods do not exhibit a significant advantage compared with the top-performing conventional clustering algorithms (e.g., KMeans, SpeClu) in terms of average performance; 2) For image and text clustering tasks, combining pretrained embeddings with conventional clustering algorithms (e.g., KMeans, SpeClu) offers effective and efficient clustering; 3) Clustering remains a challenging and nontrivial problem, even in the era of increasingly dominant foundation models. Moreover, we propose to use the low-rank structure in cross-model performance matrices to efficiently approximate the overall performance evaluation in practical applications. We further demonstrate the feasibility of model selection based on the performance matrices across all hyperparameter configurations.

Modern machine learning forces practitioners to choose between powerful but expensive deep networks and fast but limited classical algorithms. Here we introduce Soft Learning, a framework that maintains a library of heterogeneous specialists -- spanning linear models, tree ensembles, kernel machines, and neural networks -- and discovers provably optimal combination weights through cross-validated non-negative least squares. Soft Learning is guaranteed to match or exceed the best weighted combination of its specialists, trains over two orders of magnitude faster than deep networks on CPU alone (72-435x faster across tested configurations), provides inherent interpretability through learned weights that reveal which algorithmic paradigm best fits the data, and is future-proof: adding specialists is mathematically guaranteed to maintain or improve performance. Across 37 datasets (25 classification, 12 regression) against nine methods including CatBoost and tuned deep networks, Soft Learning ranks first on 70% of tasks, achieves the best mean rank (Friedman test, p = 1.12 x 10^-12), and is the only method to simultaneously excel at both classification and regression -- all without GPU hardware or hyperparameter tuning. These results suggest a paradigm shift from "which algorithm is best?" to "what is the provably optimal combination?" -- a question Soft Learning answers with formal guarantees for any data modality.

Although some very common test beds exist for assessing the performance of clustering methods, large scale benchmarking is typically limited to relatively simplistic simulation set-ups. Here we describe the production and curation of close to 3000 synthetic data sets, derived from more than 200 publicly available data sets; the majority of which arose from real-world applications. By fitting a flexible non-parametric distribution to each base data set we are able to retain much of the nuance in real-world data which is difficult to reproduce in standard simulations, while also producing data sets whose sizes are sometimes substantially greater than the data sets from which they are derived. The synthetic data sets, plus an accompanying R package, are available for download from https://github.com/DavidHofmeyr/ClusBench.