Exploiting Interpretable Capabilities with Concept-Enhanced Diffusion and Prototype Networks

Concept-based machine learning methods have increasingly gained importance due to the growing interest in making neural networks interpretable. However, concept annotations are generally challenging to obtain, making it crucial to leverage all their prior knowledge. By creating concept-enriched models that incorporate concept information into existing architectures, we exploit their interpretable capabilities to the fullest extent. In particular, we propose Concept-Guided Conditional Diffusion, which can generate visual representations of concepts, and Concept-Guided Prototype Networks, which can create a concept prototype dataset and leverage it to perform interpretable concept prediction. These results open up new lines of research by exploiting pre-existing information in the quest for rendering machine learning more human-understandable.

Hierarchical Clustering for Conditional Diffusion in Image Generation

Finding clusters of data points with similar characteristics and generating new cluster-specific samples can significantly enhance our understanding of complex data distributions. While clustering has been widely explored using Variational Autoencoders, these models often lack generation quality in real-world datasets. This paper addresses this gap by introducing TreeDiffusion, a deep generative model that conditions Diffusion Models on hierarchical clusters to obtain high-quality, cluster-specific generations. The proposed pipeline consists of two steps: a VAE-based clustering model that learns the hierarchical structure of the data, and a conditional diffusion model that generates realistic images for each cluster. We propose this two-stage process to ensure that the generated samples remain representative of their respective clusters and enhance image fidelity to the level of diffusion models. A key strength of our method is its ability to create images for each cluster, providing better visualization of the learned representations by the clustering model, as demonstrated through qualitative results. This method effectively addresses the generative limitations of VAE-based approaches while preserving their clustering performance. Empirically, we demonstrate that conditioning diffusion models on hierarchical clusters significantly enhances generative performance, thereby advancing the state of generative clustering models.

From Logits to Hierarchies: Hierarchical Clustering made Simple

The structure of many real-world datasets is intrinsically hierarchical, making the modeling of such hierarchies a critical objective in both unsupervised and supervised machine learning. Recently, novel approaches for hierarchical clustering with deep architectures have been proposed. In this work, we take a critical perspective on this line of research and demonstrate that many approaches exhibit major limitations when applied to realistic datasets, partly due to their high computational complexity. In particular, we show that a lightweight procedure implemented on top of pre-trained non-hierarchical clustering models outperforms models designed specifically for hierarchical clustering. Our proposed approach is computationally efficient and applicable to any pre-trained clustering model that outputs logits, without requiring any fine-tuning. To highlight the generality of our findings, we illustrate how our method can also be applied in a supervised setup, recovering meaningful hierarchies from a pre-trained ImageNet classifier.

Structured Generations: Using Hierarchical Clusters to guide Diffusion Models

This paper introduces Diffuse-TreeVAE, a deep generative model that integrates hierarchical clustering into the framework of Denoising Diffusion Probabilistic Models (DDPMs). The proposed approach generates new images by sampling from a root embedding of a learned latent tree VAE-based structure, it then propagates through hierarchical paths, and utilizes a second-stage DDPM to refine and generate distinct, high-quality images for each data cluster. The result is a model that not only improves image clarity but also ensures that the generated samples are representative of their respective clusters, addressing the limitations of previous VAE-based methods and advancing the state of clustering-based generative modeling.

Stochastic Concept Bottleneck Models

Concept Bottleneck Models (CBMs) have emerged as a promising interpretable method whose final prediction is based on intermediate, human-understandable concepts rather than the raw input. Through time-consuming manual interventions, a user can correct wrongly predicted concept values to enhance the model's downstream performance. We propose Stochastic Concept Bottleneck Models (SCBMs), a novel approach that models concept dependencies. In SCBMs, a single-concept intervention affects all correlated concepts, thereby improving intervention effectiveness. Unlike previous approaches that model the concept relations via an autoregressive structure, we introduce an explicit, distributional parameterization that allows SCBMs to retain the CBMs' efficient training and inference procedure. Additionally, we leverage the parameterization to derive an effective intervention strategy based on the confidence region. We show empirically on synthetic tabular and natural image datasets that our approach improves intervention effectiveness significantly. Notably, we showcase the versatility and usability of SCBMs by examining a setting with CLIP-inferred concepts, alleviating the need for manual concept annotations.

scTree: Discovering Cellular Hierarchies in the Presence of Batch Effects in scRNA-seq Data

We propose a novel method, scTree, for single-cell Tree Variational Autoencoders, extending a hierarchical clustering approach to single-cell RNA sequencing data. scTree corrects for batch effects while simultaneously learning a tree-structured data representation. This VAE-based method allows for a more in-depth understanding of complex cellular landscapes independently of the biasing effects of batches. We show empirically on seven datasets that scTree discovers the underlying clusters of the data and the hierarchical relations between them, as well as outperforms established baseline methods across these datasets. Additionally, we analyze the learned hierarchy to understand its biological relevance, thus underpinning the importance of integrating batch correction directly into the clustering procedure.

Beyond Concept Bottleneck Models: How to Make Black Boxes Intervenable?

Recently, interpretable machine learning has re-explored concept bottleneck models (CBM), comprising step-by-step prediction of the high-level concepts from the raw features and the target variable from the predicted concepts. A compelling advantage of this model class is the user's ability to intervene on the predicted concept values, affecting the model's downstream output. In this work, we introduce a method to perform such concept-based interventions on already-trained neural networks, which are not interpretable by design, given an annotated validation set. Furthermore, we formalise the model's intervenability as a measure of the effectiveness of concept-based interventions and leverage this definition to fine-tune black-box models. Empirically, we explore the intervenability of black-box classifiers on synthetic tabular and natural image benchmarks. We demonstrate that fine-tuning improves intervention effectiveness and often yields better-calibrated predictions. To showcase the practical utility of the proposed techniques, we apply them to deep chest X-ray classifiers and show that fine-tuned black boxes can be as intervenable and more performant than CBMs.

This Reads Like That: Deep Learning for Interpretable Natural Language Processing

Prototype learning, a popular machine learning method designed for inherently interpretable decisions, leverages similarities to learned prototypes for classifying new data. While it is mainly applied in computer vision, in this work, we build upon prior research and further explore the extension of prototypical networks to natural language processing. We introduce a learned weighted similarity measure that enhances the similarity computation by focusing on informative dimensions of pre-trained sentence embeddings. Additionally, we propose a post-hoc explainability mechanism that extracts prediction-relevant words from both the prototype and input sentences. Finally, we empirically demonstrate that our proposed method not only improves predictive performance on the AG News and RT Polarity datasets over a previous prototype-based approach, but also improves the faithfulness of explanations compared to rationale-based recurrent convolutions.

Tree Variational Autoencoders

We propose a new generative hierarchical clustering model that learns a flexible tree-based posterior distribution over latent variables. The proposed Tree Variational Autoencoder (TreeVAE) hierarchically divides samples according to their intrinsic characteristics, shedding light on hidden structure in the data. It adapts its architecture to discover the optimal tree for encoding dependencies between latent variables. The proposed tree-based generative architecture permits lightweight conditional inference and improves generative performance by utilizing specialized leaf decoders. We show that TreeVAE uncovers underlying clusters in the data and finds meaningful hierarchical relations between the different groups on a variety of datasets, including real-world imaging data. We present empirically that TreeVAE provides a more competitive log-likelihood lower bound than the sequential counterparts. Finally, due to its generative nature, TreeVAE is able to generate new samples from the discovered clusters via conditional sampling.

Signal Is Harder To Learn Than Bias: Debiasing with Focal Loss

Spurious correlations are everywhere. While humans often do not perceive them, neural networks are notorious for learning unwanted associations, also known as biases, instead of the underlying decision rule. As a result, practitioners are often unaware of the biased decision-making of their classifiers. Such a biased model based on spurious correlations might not generalize to unobserved data, leading to unintended, adverse consequences. We propose Signal is Harder (SiH), a variational-autoencoder-based method that simultaneously trains a biased and unbiased classifier using a novel, disentangling reweighting scheme inspired by the focal loss. Using the unbiased classifier, SiH matches or improves upon the performance of state-of-the-art debiasing methods. To improve the interpretability of our technique, we propose a perturbation scheme in the latent space for visualizing the bias that helps practitioners become aware of the sources of spurious correlations.