We analyze the saliency of neural networks and employ interpretable machine learning models to predict whether the Kronecker coefficients of the symmetric group are zero or not. Our models use triples of partitions as input features, as well as b-loadings derived from the principal component of an embedding that captures the differences between partitions. Across all approaches, we achieve an accuracy of approximately 83% and derive explicit formulas for a decision function in terms of b-loadings. Additionally, we develop transformer-based models for prediction, achieving the highest reported accuracy of over 99%.
We use a tensor unfolding technique to prove a new identifiability result for discrete bipartite graphical models, which have a bipartite graph between an observed and a latent layer. This model family includes popular models such as Noisy-Or Bayesian networks for medical diagnosis and Restricted Boltzmann Machines in machine learning. These models are also building blocks for deep generative models. Our result on identifying the graph structure enjoys the following nice properties. First, our identifiability proof is constructive, in which we innovatively unfold the population tensor under the model into matrices and inspect the rank properties of the resulting matrices to uncover the graph. This proof itself gives a population-level structure learning algorithm that outputs both the number of latent variables and the bipartite graph. Second, we allow various forms of nonlinear dependence among the variables, unlike many continuous latent variable graphical models that rely on linearity to show identifiability. Third, our identifiability condition is interpretable, only requiring each latent variable to connect to at least two "pure" observed variables in the bipartite graph. The new result not only brings novel advances in algebraic statistics, but also has useful implications for these models' trustworthy applications in scientific disciplines and interpretable machine learning.
We present a simple usage of pre-trained Vision Transformers (ViTs) for fine-grained analysis, aiming to identify and localize the traits that distinguish visually similar categories, such as different bird species or dog breeds. Pre-trained ViTs such as DINO have shown remarkable capabilities to extract localized, informative features. However, using saliency maps like Grad-CAM can hardly point out the traits: they often locate the whole object by a blurred, coarse heatmap, not traits. We propose a novel approach Prompt Class Attention Map (Prompt-CAM) to the rescue. Prompt-CAM learns class-specific prompts to a pre-trained ViT and uses the corresponding outputs for classification. To classify an image correctly, the true-class prompt must attend to the unique image patches not seen in other classes' images, i.e., traits. As such, the true class's multi-head attention maps reveal traits and their locations. Implementation-wise, Prompt-CAM is almost a free lunch by simply modifying the prediction head of Visual Prompt Tuning (VPT). This makes Prompt-CAM fairly easy to train and apply, sharply contrasting other interpretable methods that design specific models and training processes. It is even simpler than the recently published INterpretable TRansformer (INTR), whose encoder-decoder architecture prevents it from leveraging pre-trained ViTs. Extensive empirical studies on a dozen datasets from various domains (e.g., birds, fishes, insects, fungi, flowers, food, and cars) validate Prompt-CAM superior interpretation capability.
This article discusses the integration of the Artificial Bee Colony (ABC) algorithm with two supervised learning methods, namely Artificial Neural Networks (ANNs) and Adaptive Network-based Fuzzy Inference System (ANFIS), for feature selection from Near-Infrared (NIR) spectra for predicting the molecular weight of medical-grade Polylactic Acid (PLA). During extrusion processing of PLA, in-line NIR spectra were captured along with extrusion process and machine setting data. With a dataset comprising 63 observations and 512 input features, appropriate machine learning tools are essential for interpreting data and selecting features to improve prediction accuracy. Initially, the ABC optimization algorithm is coupled with ANN/ANFIS to forecast PLA molecular weight. The objective functions of the ABC algorithm are to minimize the root mean square error (RMSE) between experimental and predicted PLA molecular weights while also minimizing the number of input features. Results indicate that employing ABC-ANFIS yields the lowest RMSE of 282 Da and identifies four significant parameters (NIR wavenumbers 6158 cm-1, 6310 cm-1, 6349 cm-1, and melt temperature) for prediction. These findings demonstrate the effectiveness of using the ABC algorithm with ANFIS for selecting a minimal set of features to predict PLA molecular weight with high accuracy during processing
Explainable AI (XAI) provides methods to understand non-interpretable machine learning models. However, we have little knowledge about what legal experts expect from these explanations, including their legal compliance with, and value against European Union legislation. To close this gap, we present the Explanation Dialogues, an expert focus study to uncover the expectations, reasoning, and understanding of legal experts and practitioners towards XAI, with a specific focus on the European General Data Protection Regulation. The study consists of an online questionnaire and follow-up interviews, and is centered around a use-case in the credit domain. We extract both a set of hierarchical and interconnected codes using grounded theory, and present the standpoints of the participating experts towards XAI. We find that the presented explanations are hard to understand and lack information, and discuss issues that can arise from the different interests of the data controller and subject. Finally, we present a set of recommendations for developers of XAI methods, and indications of legal areas of discussion. Among others, recommendations address the presentation, choice, and content of an explanation, technical risks as well as the end-user, while we provide legal pointers to the contestability of explanations, transparency thresholds, intellectual property rights as well as the relationship between involved parties.
Health outcomes depend on complex environmental and sociodemographic factors whose effects change over location and time. Only recently has fine-grained spatial and temporal data become available to study these effects, namely the MEDSAT dataset of English health, environmental, and sociodemographic information. Leveraging this new resource, we use a variety of variable importance techniques to robustly identify the most informative predictors across multiple health outcomes. We then develop an interpretable machine learning framework based on Generalized Additive Models (GAMs) and Multiscale Geographically Weighted Regression (MGWR) to analyze both local and global spatial dependencies of each variable on various health outcomes. Our findings identify NO2 as a global predictor for asthma, hypertension, and anxiety, alongside other outcome-specific predictors related to occupation, marriage, and vegetation. Regional analyses reveal local variations with air pollution and solar radiation, with notable shifts during COVID. This comprehensive approach provides actionable insights for addressing health disparities, and advocates for the integration of interpretable machine learning in public health.
Debris disks, which consist of dust, planetesimals, planets, and gas, offer a unique window into the mineralogical composition of their parent bodies, especially during the critical phase of terrestrial planet formation spanning 10 to a few hundred million years. Observations from the $\textit{Spitzer}$ Space Telescope have unveiled thousands of debris disks, yet systematic studies remain scarce, let alone those with unsupervised clustering techniques. This study introduces $\texttt{CLUES}$ (CLustering UnsupErvised with Sequencer), a novel, non-parametric, fully-interpretable machine-learning spectral analysis tool designed to analyze and classify the spectral data of debris disks. $\texttt{CLUES}$ combines multiple unsupervised clustering methods with multi-scale distance measures to discern new groupings and trends, offering insights into compositional diversity and geophysical processes within these disks. Our analysis allows us to explore a vast parameter space in debris disk mineralogy and also offers broader applications in fields such as protoplanetary disks and solar system objects. This paper details the methodology, implementation, and initial results of $\texttt{CLUES}$, setting the stage for more detailed follow-up studies focusing on debris disk mineralogy and demographics.
The COVID-19 vaccine development, manufacturing, transportation, and administration proved an extreme logistics operation of global magnitude. Global vaccination levels, however, remain a key concern in preventing the emergence of new strains and minimizing the impact of the pandemic's disruption of daily life. In this paper, country-level vaccination rates are analyzed through a queuing framework to extract service rates that represent the practical capacity of a country to administer vaccines. These rates are further characterized through regression and interpretable machine learning methods with country-level demographic, governmental, and socio-economic variates. Model results show that participation in multi-governmental collaborations such as COVAX may improve the ability to vaccinate. Similarly, improved transportation and accessibility variates such as roads per area for low-income countries and rail lines per area for high-income countries can improve rates. It was also found that for low-income countries specifically, improvements in basic and health infrastructure (as measured through spending on healthcare, number of doctors and hospital beds per 100k, population percent with access to electricity, life expectancy, and vehicles per 1000 people) resulted in higher vaccination rates. Of the high-income countries, those with larger 65-plus populations struggled to vaccinate at high rates, indicating potential accessibility issues for the elderly. This study finds that improving basic and health infrastructure, focusing on accessibility in the last mile, particularly for the elderly, and fostering global partnerships can improve logistical operations of such a scale. Such structural impediments and inequities in global health care must be addressed in preparation for future global public health crises.
Decision trees are widely used in machine learning due to their simplicity and interpretability, but they often lack robustness to adversarial attacks and data perturbations. The paper proposes a novel island-based coevolutionary algorithm (ICoEvoRDF) for constructing robust decision tree ensembles. The algorithm operates on multiple islands, each containing populations of decision trees and adversarial perturbations. The populations on each island evolve independently, with periodic migration of top-performing decision trees between islands. This approach fosters diversity and enhances the exploration of the solution space, leading to more robust and accurate decision tree ensembles. ICoEvoRDF utilizes a popular game theory concept of mixed Nash equilibrium for ensemble weighting, which further leads to improvement in results. ICoEvoRDF is evaluated on 20 benchmark datasets, demonstrating its superior performance compared to state-of-the-art methods in optimizing both adversarial accuracy and minimax regret. The flexibility of ICoEvoRDF allows for the integration of decision trees from various existing methods, providing a unified framework for combining diverse solutions. Our approach offers a promising direction for developing robust and interpretable machine learning models
Metal-organic frameworks (MOFs) are porous, crystalline materials with high surface area, adjustable porosity, and structural tunability, making them ideal for diverse applications. However, traditional experimental and computational methods have limited scalability and interpretability, hindering effective exploration of MOF structure-property relationships. To address these challenges, we introduce, for the first time, a category-specific topological learning (CSTL), which combines algebraic topology with chemical insights for robust property prediction. The model represents MOF structures as simplicial complexes and incorporates elemental categorizations to enable balanced, interpretable machine learning study. By integrating category-specific persistent homology, CSTL captures both global and local structural characteristics, rendering multi-dimensional, category-specific descriptors that support a predictive model with high accuracy and robustness across eight MOF datasets, outperforming all previous results. This alignment of topological and chemical features enhances the predictive power and interpretability of CSTL, advancing understanding of structure-property relationships of MOFs and promoting efficient material discovery.
An interpretable machine learning (ML) framework is introduced to enhance the diagnosis of Mild Cognitive Impairment (MCI) and Alzheimer's disease (AD) by ensuring robustness of the ML models' interpretations. The dataset used comprises volumetric measurements from brain MRI and genetic data from healthy individuals and patients with MCI/AD, obtained through the Alzheimer's Disease Neuroimaging Initiative. The existing class imbalance is addressed by an ensemble learning approach, while various attribution-based and counterfactual-based interpretability methods are leveraged towards producing diverse explanations related to the pathophysiology of MCI/AD. A unification method combining SHAP with counterfactual explanations assesses the interpretability techniques' robustness. The best performing model yielded 87.5% balanced accuracy and 90.8% F1-score. The attribution-based interpretability methods highlighted significant volumetric and genetic features related to MCI/AD risk. The unification method provided useful insights regarding those features' necessity and sufficiency, further showcasing their significance in MCI/AD diagnosis.
Deep learning has achieved remarkable success in processing and managing unstructured data. However, its "black box" nature imposes significant limitations, particularly in sensitive application domains. While existing interpretable machine learning methods address some of these issues, they often fail to adequately consider feature correlations and provide insufficient evaluation of model decision paths. To overcome these challenges, this paper introduces Real Explainer (RealExp), an interpretability computation method that decouples the Shapley Value into individual feature importance and feature correlation importance. By incorporating feature similarity computations, RealExp enhances interpretability by precisely quantifying both individual feature contributions and their interactions, leading to more reliable and nuanced explanations. Additionally, this paper proposes a novel interpretability evaluation criterion focused on elucidating the decision paths of deep learning models, going beyond traditional accuracy-based metrics. Experimental validations on two unstructured data tasks -- image classification and text sentiment analysis -- demonstrate that RealExp significantly outperforms existing methods in interpretability. Case studies further illustrate its practical value: in image classification, RealExp aids in selecting suitable pre-trained models for specific tasks from an interpretability perspective; in text classification, it enables the optimization of models and approximates the performance of a fine-tuned GPT-Ada model using traditional bag-of-words approaches.
The use of machine learning to predict wave dynamics is a topic of growing interest, but commonly-used deep learning approaches suffer from a lack of interpretability of the trained models. Here we present an interpretable machine learning framework for analyzing the nonlinear evolution dynamics of optical wavepackets in complex wave media. We use sparse regression to reduce microscopic discrete lattice models to simpler effective continuum models which can accurately describe the dynamics of the wavepacket envelope. We apply our approach to valley-Hall domain walls in honeycomb photonic lattices of laser-written waveguides with Kerr-type nonlinearity and different boundary shapes. The reconstructed equations accurately reproduce the linear dispersion and nonlinear effects including self-steepening and self-focusing. This scheme is proven free of the a priori limitations imposed by the underlying hierarchy of scales traditionally employed in asymptotic analytical methods. It represents a powerful interpretable machine learning technique of interest for advancing design capabilities in photonics and framing the complex interaction-driven dynamics in various topological materials.
Causal concept effect estimation is gaining increasing interest in the field of interpretable machine learning. This general approach explains the behaviors of machine learning models by estimating the causal effect of human-understandable concepts, which represent high-level knowledge more comprehensibly than raw inputs like tokens. However, existing causal concept effect explanation methods assume complete observation of all concepts involved within the dataset, which can fail in practice due to incomplete annotations or missing concept data. We theoretically demonstrate that unobserved concepts can bias the estimation of the causal effects of observed concepts. To address this limitation, we introduce the Missingness-aware Causal Concept Explainer (MCCE), a novel framework specifically designed to estimate causal concept effects when not all concepts are observable. Our framework learns to account for residual bias resulting from missing concepts and utilizes a linear predictor to model the relationships between these concepts and the outputs of black-box machine learning models. It can offer explanations on both local and global levels. We conduct validations using a real-world dataset, demonstrating that MCCE achieves promising performance compared to state-of-the-art explanation methods in causal concept effect estimation.
Inherently interpretable machine learning (IML) models provide valuable insights for clinical decision-making but face challenges when features have missing values. Classical solutions like imputation or excluding incomplete records are often unsuitable in applications where values are missing at test time. In this work, we conducted a survey with 71 clinicians from 29 trauma centers across France, including 20 complete responses to study the interaction between medical professionals and IML applied to data with missing values. This provided valuable insights into how missing data is interpreted in clinical machine learning. We used the prediction of hemorrhagic shock as a concrete example to gauge the willingness and readiness of the participants to adopt IML models from three classes of methods. Our findings show that, while clinicians value interpretability and are familiar with common IML methods, classical imputation techniques often misalign with their intuition, and that models that natively handle missing values are preferred. These results emphasize the need to integrate clinical intuition into future IML models for better human-computer interaction.
Interpretable Machine Learning faces a recurring challenge of explaining the predictions made by opaque classifiers such as ensemble models, kernel methods, or neural networks in terms that are understandable to humans. When the model is viewed as a black box, the objective is to identify a small set of features that jointly determine the black box response with minimal error. However, finding such model-agnostic explanations is computationally demanding, as the problem is intractable even for binary classifiers. In this paper, the task is framed as a Constraint Optimization Problem, where the constraint solver seeks an explanation of minimum error and bounded size for an input data instance and a set of samples generated by the black box. From a theoretical perspective, this constraint programming approach offers PAC-style guarantees for the output explanation. We evaluate the approach empirically on various datasets and show that it statistically outperforms the state-of-the-art heuristic Anchors method.
Recent advances in prototypical learning have shown remarkable potential to provide useful decision interpretations associating activation maps and predictions with class-specific training prototypes. Such prototypical learning has been well-studied for various single-label diseases, but for quite relevant and more challenging multi-label diagnosis, where multiple diseases are often concurrent within an image, existing prototypical learning models struggle to obtain meaningful activation maps and effective class prototypes due to the entanglement of the multiple diseases. In this paper, we present a novel Cross- and Intra-image Prototypical Learning (CIPL) framework, for accurate multi-label disease diagnosis and interpretation from medical images. CIPL takes advantage of common cross-image semantics to disentangle the multiple diseases when learning the prototypes, allowing a comprehensive understanding of complicated pathological lesions. Furthermore, we propose a new two-level alignment-based regularisation strategy that effectively leverages consistent intra-image information to enhance interpretation robustness and predictive performance. Extensive experiments show that our CIPL attains the state-of-the-art (SOTA) classification accuracy in two public multi-label benchmarks of disease diagnosis: thoracic radiography and fundus images. Quantitative interpretability results show that CIPL also has superiority in weakly-supervised thoracic disease localisation over other leading saliency- and prototype-based explanation methods.
Our proposed framework attempts to break the trade-off between performance and explainability by introducing an explainable-by-design convolutional neural network (CNN) based on the lateral inhibition mechanism. The ExplaiNet model consists of the predictor, that is a high-accuracy CNN with residual or dense skip connections, and the explainer probabilistic graph that expresses the spatial interactions of the network neurons. The value on each graph node is a local discrete feature (LDF) vector, a patch descriptor that represents the indices of antagonistic neurons ordered by the strength of their activations, which are learned with gradient descent. Using LDFs as sequences we can increase the conciseness of explanations by repurposing EXTREME, an EM-based sequence motif discovery method that is typically used in molecular biology. Having a discrete feature motif matrix for each one of intermediate image representations, instead of a continuous activation tensor, allows us to leverage the inherent explainability of Bayesian networks. By collecting observations and directly calculating probabilities, we can explain causal relationships between motifs of adjacent levels and attribute the model's output to global motifs. Moreover, experiments on various tiny image benchmark datasets confirm that our predictor ensures the same level of performance as the baseline architecture for a given count of parameters and/or layers. Our novel method shows promise to exceed this performance while providing an additional stream of explanations. In the solved MNIST classification task, it reaches a comparable to the state-of-the-art performance for single models, using standard training setup and 0.75 million parameters.
Graph learning is naturally well suited for use in symbolic, object-centric planning due to its ability to exploit relational structures exhibited in planning domains and to take as input planning instances with arbitrary numbers of objects. Numeric planning is an extension of symbolic planning in which states may now also exhibit numeric variables. In this work, we propose data-efficient and interpretable machine learning models for learning to solve numeric planning tasks. This involves constructing a new graph kernel for graphs with both continuous and categorical attributes, as well as new optimisation methods for learning heuristic functions for numeric planning. Experiments show that our graph kernels are vastly more efficient and generalise better than graph neural networks for numeric planning, and also yield competitive coverage performance compared to domain-independent numeric planners. Code is available at https://github.com/DillonZChen/goose
As the demand for interpretable machine learning approaches continues to grow, there is an increasing necessity for human involvement in providing informative explanations for model decisions. This is necessary for building trust and transparency in AI-based systems, leading to the emergence of the Explainable Artificial Intelligence (XAI) field. Recently, a novel counterfactual explanation model, CELS, has been introduced. CELS learns a saliency map for the interest of an instance and generates a counterfactual explanation guided by the learned saliency map. While CELS represents the first attempt to exploit learned saliency maps not only to provide intuitive explanations for the reason behind the decision made by the time series classifier but also to explore post hoc counterfactual explanations, it exhibits limitations in terms of high validity for the sake of ensuring high proximity and sparsity. In this paper, we present an enhanced approach that builds upon CELS. While the original model achieved promising results in terms of sparsity and proximity, it faced limitations in validity. Our proposed method addresses this limitation by removing mask normalization to provide more informative and valid counterfactual explanations. Through extensive experimentation on datasets from various domains, we demonstrate that our approach outperforms the CELS model, achieving higher validity and producing more informative explanations.