Many practical combustion systems such as those in rockets, gas turbines, and internal combustion engines operate under high pressures that surpass the thermodynamic critical limit of fuel-oxidizer mixtures. These conditions require the consideration of complex fluid behaviors that pose challenges for numerical simulations, casting doubts on the validity of existing subgrid-scale (SGS) models in large-eddy simulations of these systems. While data-driven methods have shown high accuracy as closure models in simulations of turbulent flames, these models are often criticized for lack of physical interpretability, wherein they provide answers but no insight into their underlying rationale. The objective of this study is to assess SGS stress models from conventional physics-driven approaches and an interpretable machine learning algorithm, i.e., the random forest regressor, in a turbulent transcritical non-premixed flame. To this end, direct numerical simulations (DNS) of transcritical liquid-oxygen/gaseous-methane (LOX/GCH4) inert and reacting flows are performed. Using this data, a priori analysis is performed on the Favre-filtered DNS data to examine the accuracy of physics-based and random forest SGS-models under these conditions. SGS stresses calculated with the gradient model show good agreement with the exact terms extracted from filtered DNS. The accuracy of the random-forest regressor decreased when physics-based constraints are applied to the feature set. Results demonstrate that random forests can perform as effectively as algebraic models when modeling subgrid stresses, only when trained on a sufficiently representative database. The employment of random forest feature importance score is shown to provide insight into discovering subgrid-scale stresses through sparse regression.
Despite increasing interest in the field of Interpretable Machine Learning (IML), a significant gap persists between the technical objectives targeted by researchers' methods and the high-level goals of consumers' use cases. In this work, we synthesize foundational work on IML methods and evaluation into an actionable taxonomy. This taxonomy serves as a tool to conceptualize the gap between researchers and consumers, illustrated by the lack of connections between its methods and use cases components. It also provides the foundation from which we describe a three-step workflow to better enable researchers and consumers to work together to discover what types of methods are useful for what use cases. Eventually, by building on the results generated from this workflow, a more complete version of the taxonomy will increasingly allow consumers to find relevant methods for their target use cases and researchers to identify applicable use cases for their proposed methods.
Disentanglement, a critical concern in interpretable machine learning, has also garnered significant attention from the computer vision community. Many existing GAN-based class disentanglement (unsupervised) approaches, such as InfoGAN and its variants, primarily aim to maximize the mutual information (MI) between the generated image and its latent codes. However, this focus may lead to a tendency for the network to generate highly similar images when presented with the same latent class factor, potentially resulting in mode collapse or mode dropping. To alleviate this problem, we propose \texttt{CoDeGAN} (Contrastive Disentanglement for Generative Adversarial Networks), where we relax similarity constraints for disentanglement from the image domain to the feature domain. This modification not only enhances the stability of GAN training but also improves their disentangling capabilities. Moreover, we integrate self-supervised pre-training into CoDeGAN to learn semantic representations, significantly facilitating unsupervised disentanglement. Extensive experimental results demonstrate the superiority of our method over state-of-the-art approaches across multiple benchmarks. The code is available at https://github.com/learninginvision/CoDeGAN.
While the need for interpretable machine learning has been established, many common approaches are slow, lack fidelity, or hard to evaluate. Amortized explanation methods reduce the cost of providing interpretations by learning a global selector model that returns feature importances for a single instance of data. The selector model is trained to optimize the fidelity of the interpretations, as evaluated by a predictor model for the target. Popular methods learn the selector and predictor model in concert, which we show allows predictions to be encoded within interpretations. We introduce EVAL-X as a method to quantitatively evaluate interpretations and REAL-X as an amortized explanation method, which learn a predictor model that approximates the true data generating distribution given any subset of the input. We show EVAL-X can detect when predictions are encoded in interpretations and show the advantages of REAL-X through quantitative and radiologist evaluation.
Deep learning has been the engine powering many successes of data science. However, the deep neural network (DNN), as the basic model of deep learning, is often excessively over-parameterized, causing many difficulties in training, prediction and interpretation. We propose a frequentist-like method for learning sparse DNNs and justify its consistency under the Bayesian framework: the proposed method could learn a sparse DNN with at most $O(n/\log(n))$ connections and nice theoretical guarantees such as posterior consistency, variable selection consistency and asymptotically optimal generalization bounds. In particular, we establish posterior consistency for the sparse DNN with a mixture Gaussian prior, show that the structure of the sparse DNN can be consistently determined using a Laplace approximation-based marginal posterior inclusion probability approach, and use Bayesian evidence to elicit sparse DNNs learned by an optimization method such as stochastic gradient descent in multiple runs with different initializations. The proposed method is computationally more efficient than standard Bayesian methods for large-scale sparse DNNs. The numerical results indicate that the proposed method can perform very well for large-scale network compression and high-dimensional nonlinear variable selection, both advancing interpretable machine learning.
Machine Learning (ML) provides important techniques for classification and predictions. Most of these are black-box models for users and do not provide decision-makers with an explanation. For the sake of transparency or more validity of decisions, the need to develop explainable/interpretable ML-methods is gaining more and more importance. Certain questions need to be addressed: How does an ML procedure derive the class for a particular entity? Why does a particular clustering emerge from a particular unsupervised ML procedure? What can we do if the number of attributes is very large? What are the possible reasons for the mistakes for concrete cases and models? For binary attributes, Formal Concept Analysis (FCA) offers techniques in terms of intents of formal concepts, and thus provides plausible reasons for model prediction. However, from the interpretable machine learning viewpoint, we still need to provide decision-makers with the importance of individual attributes to the classification of a particular object, which may facilitate explanations by experts in various domains with high-cost errors like medicine or finance. We discuss how notions from cooperative game theory can be used to assess the contribution of individual attributes in classification and clustering processes in concept-based machine learning. To address the 3rd question, we present some ideas on how to reduce the number of attributes using similarities in large contexts.
High-resolution mapping of cells and tissue structures provides a foundation for developing interpretable machine-learning models for computational pathology. Deep learning algorithms can provide accurate mappings given large numbers of labeled instances for training and validation. Generating adequate volume of quality labels has emerged as a critical barrier in computational pathology given the time and effort required from pathologists. In this paper we describe an approach for engaging crowds of medical students and pathologists that was used to produce a dataset of over 220,000 annotations of cell nuclei in breast cancers. We show how suggested annotations generated by a weak algorithm can improve the accuracy of annotations generated by non-experts and can yield useful data for training segmentation algorithms without laborious manual tracing. We systematically examine interrater agreement and describe modifications to the MaskRCNN model to improve cell mapping. We also describe a technique we call Decision Tree Approximation of Learned Embeddings (DTALE) that leverages nucleus segmentations and morphologic features to improve the transparency of nucleus classification models. The annotation data produced in this study are freely available for algorithm development and benchmarking at: https://sites.google.com/view/nucls.
Existing machine learning approaches for data-driven predictive maintenance are usually black boxes that claim high predictive power yet cannot be understood by humans. This limits the ability of humans to use these models to derive insights and understanding of the underlying failure mechanisms, and also limits the degree of confidence that can be placed in such a system to perform well on future data. We consider the task of predicting hard drive failure in a data center using recent algorithms for interpretable machine learning. We demonstrate that these methods provide meaningful insights about short- and long-term drive health, while also maintaining high predictive performance. We also show that these analyses still deliver useful insights even when limited historical data is available, enabling their use in situations where data collection has only recently begun.
Representation learning for graphs enables the application of standard machine learning algorithms and data analysis tools to graph data. Replacing discrete unordered objects such as graph nodes by real-valued vectors is at the heart of many approaches to learning from graph data. Such vector representations, or embeddings, capture the discrete relationships in the original data by representing nodes as vectors in a high-dimensional space. In most applications graphs model the relationship between real-life objects and often nodes contain valuable meta-information about the original objects. While being a powerful machine learning tool, embeddings are not able to preserve such node attributes. We address this shortcoming and consider the problem of learning discrete node embeddings such that the coordinates of the node vector representations are graph nodes. This opens the door to designing interpretable machine learning algorithms for graphs as all attributes originally present in the nodes are preserved. We present a framework for coordinated local graph neighborhood sampling (COLOGNE) such that each node is represented by a fixed number of graph nodes, together with their attributes. Individual samples are coordinated and they preserve the similarity between node neighborhoods. We consider different notions of similarity for which we design scalable algorithms. We show theoretical results for all proposed algorithms. Experiments on benchmark graphs evaluate the quality of the designed embeddings and demonstrate how the proposed embeddings can be used in training interpretable machine learning algorithms for graph data.
In this paper we introduce a tool called Principal Image Sections Mapping - PRISM, dedicated for PyTorch, but can be easily ported to other deep learning frameworks. Presented software relies on Principal Component Analysis to visualize the most significant features recognized by a given Convolutional Neural Network. Moreover, it allows to display comparative set features between images processed in the same batch, therefore PRISM can be a method well synerging with technique Explanation by Example.
Feature attribution is widely used in interpretable machine learning to explain how influential each measured input feature value is for an output inference. However, measurements can be uncertain, and it is unclear how the awareness of input uncertainty can affect the trust in explanations. We propose and study two approaches to help users to manage their perception of uncertainty in a model explanation: 1) transparently show uncertainty in feature attributions to allow users to reflect on, and 2) suppress attribution to features with uncertain measurements and shift attribution to other features by regularizing with an uncertainty penalty. Through simulation experiments, qualitative interviews, and quantitative user evaluations, we identified the benefits of moderately suppressing attribution uncertainty, and concerns regarding showing attribution uncertainty. This work adds to the understanding of handling and communicating uncertainty for model interpretability.
To ensure accountability and mitigate harm, it is critical that diverse stakeholders can interrogate black-box automated systems and find information that is understandable, relevant, and useful to them. In this paper, we eschew prior expertise- and role-based categorizations of interpretability stakeholders in favor of a more granular framework that decouples stakeholders' knowledge from their interpretability needs. We characterize stakeholders by their formal, instrumental, and personal knowledge and how it manifests in the contexts of machine learning, the data domain, and the general milieu. We additionally distill a hierarchical typology of stakeholder needs that distinguishes higher-level domain goals from lower-level interpretability tasks. In assessing the descriptive, evaluative, and generative powers of our framework, we find our more nuanced treatment of stakeholders reveals gaps and opportunities in the interpretability literature, adds precision to the design and comparison of user studies, and facilitates a more reflexive approach to conducting this research.
General regression and classification models are constructed as linear combinations of simple rules derived from the data. Each rule consists of a conjunction of a small number of simple statements concerning the values of individual input variables. These rule ensembles are shown to produce predictive accuracy comparable to the best methods. However, their principal advantage lies in interpretation. Because of its simple form, each rule is easy to understand, as is its influence on individual predictions, selected subsets of predictions, or globally over the entire space of joint input variable values. Similarly, the degree of relevance of the respective input variables can be assessed globally, locally in different regions of the input space, or at individual prediction points. Techniques are presented for automatically identifying those variables that are involved in interactions with other variables, the strength and degree of those interactions, as well as the identities of the other variables with which they interact. Graphical representations are used to visualize both main and interaction effects.
The most important goal of customer services is to keep the customer satisfied. However, service resources are always limited and must be prioritized. Therefore, it is important to identify customers who potentially become unsatisfied and might lead to escalations. Today this prioritization of customers is often done manually. Data science on IoT data (esp. log data) for machine health monitoring, as well as analytics on enterprise data for customer relationship management (CRM) have mainly been researched and applied independently. In this paper, we present a framework for a data-driven decision support system which combines IoT and enterprise data to model customer sentiment. Such decision support systems can help to prioritize customers and service resources to effectively troubleshoot problems or even avoid them. The framework is applied in a real-world case study with a major medical device manufacturer. This includes a fully automated and interpretable machine learning pipeline designed to meet the requirements defined with domain experts and end users. The overall framework is currently deployed, learns and evaluates predictive models from terabytes of IoT and enterprise data to actively monitor the customer sentiment for a fleet of thousands of high-end medical devices. Furthermore, we provide an anonymized industrial benchmark dataset for the research community.
Controlling the style of natural language by disentangling the latent space is an important step towards interpretable machine learning. After the latent space is disentangled, the style of a sentence can be transformed by tuning the style representation without affecting other features of the sentence. Previous works usually use adversarial training to guarantee that disentangled vectors do not affect each other. However, adversarial methods are difficult to train. Especially when there are multiple features (e.g., sentiment, or tense, which we call style types in this paper), each feature requires a separate discriminator for extracting a disentangled style vector corresponding to that feature. In this paper, we propose a unified distribution-controlling method, which provides each specific style value (the value of style types, e.g., positive sentiment, or past tense) with a unique representation. This method contributes a solid theoretical basis to avoid adversarial training in multi-type disentanglement. We also propose multiple loss functions to achieve a style-content disentanglement as well as a disentanglement among multiple style types. In addition, we observe that if two different style types always have some specific style values that occur together in the dataset, they will affect each other when transferring the style values. We call this phenomenon training bias, and we propose a loss function to alleviate such training bias while disentangling multiple types. We conduct experiments on two datasets (Yelp service reviews and Amazon product reviews) to evaluate the style-disentangling effect and the unsupervised style transfer performance on two style types: sentiment and tense. The experimental results show the effectiveness of our model.
Genetic pathways usually encode molecular mechanisms that can inform targeted interventions. It is often challenging for existing machine learning approaches to jointly model genetic pathways (higher-order features) and variants (atomic features), and present to clinicians interpretable models. In order to build more accurate and better interpretable machine learning models for genetic medicine, we introduce Pathway Augmented Nonnegative Tensor factorization for HighER-order feature learning (PANTHER). PANTHER selects informative genetic pathways that directly encode molecular mechanisms. We apply genetically motivated constrained tensor factorization to group pathways in a way that reflects molecular mechanism interactions. We then train a softmax classifier for disease types using the identified pathway groups. We evaluated PANTHER against multiple state-of-the-art constrained tensor/matrix factorization models, as well as group guided and Bayesian hierarchical models. PANTHER outperforms all state-of-the-art comparison models significantly (p<0.05). Our experiments on large scale Next Generation Sequencing (NGS) and whole-genome genotyping datasets also demonstrated wide applicability of PANTHER. We performed feature analysis in predicting disease types, which suggested insights and benefits of the identified pathway groups.
Precision medicine has the potential to revolutionize healthcare, but much of the data for patients is locked away in unstructured free-text, limiting research and delivery of effective personalized treatments. Generating large annotated datasets for information extraction from clinical notes is often challenging and expensive due to the high level of expertise needed for high quality annotations. To enable natural language processing for small dataset sizes, we develop a novel enriched hierarchical annotation scheme and algorithm, Supervised Line Attention (SLA), and apply this algorithm to predicting categorical tumor attributes from kidney and colon cancer pathology reports from the University of California San Francisco (UCSF). Whereas previous work only annotated document level labels, we in addition ask the annotators to enrich the traditional label by asking them to also highlight the relevant line or potentially lines for the final label, which leads to a 20% increase of annotation time required per document. With the enriched annotations, we develop a simple and interpretable machine learning algorithm that first predicts the relevant lines in the document and then predicts the tumor attribute. Our results show across the small dataset sizes of 32, 64, 128, and 186 labeled documents per cancer, SLA only requires half the number of labeled documents as state-of-the-art methods to achieve similar or better micro-f1 and macro-f1 scores for the vast majority of comparisons that we made. Accounting for the increased annotation time, this leads to a 40% reduction in total annotation time over the state of the art.
In the time-series analysis, the time series motifs and the order patterns in time series can reveal general temporal patterns and dynamic features. Triadic Motif Field (TMF) is a simple and effective time-series image encoding method based on triadic time series motifs. Electrocardiography (ECG) signals are time-series data widely used to diagnose various cardiac anomalies. The TMF images contain the features characterizing the normal and Atrial Fibrillation (AF) ECG signals. Considering the quasi-periodic characteristics of ECG signals, the dynamic features can be extracted from the TMF images with the transfer learning pre-trained convolutional neural network (CNN) models. With the extracted features, the simple classifiers, such as the Multi-Layer Perceptron (MLP), the logistic regression, and the random forest, can be applied for accurate anomaly detection. With the test dataset of the PhysioNet Challenge 2017 database, the TMF classification model with the VGG16 transfer learning model and MLP classifier demonstrates the best performance with the 95.50% ROC-AUC and 88.43% F1 score in the AF classification. Besides, the TMF classification model can identify AF patients in the test dataset with high precision. The feature vectors extracted from the TMF images show clear patient-wise clustering with the t-distributed Stochastic Neighbor Embedding technique. Above all, the TMF classification model has very good clinical interpretability. The patterns revealed by symmetrized Gradient-weighted Class Activation Mapping have a clear clinical interpretation at the beat and rhythm levels.
As machine learning and algorithmic decision making systems are increasingly being leveraged in high-stakes human-in-the-loop settings, there is a pressing need to understand the rationale of their predictions. Researchers have responded to this need with explainable AI (XAI), but often proclaim interpretability axiomatically without evaluation. When these systems are evaluated, they are often tested through offline simulations with proxy metrics of interpretability (such as model complexity). We empirically evaluate the veracity of three common interpretability assumptions through a large scale human-subjects experiment with a simple "placebo explanation" control. We find that feature attribution explanations provide marginal utility in our task for a human decision maker and in certain cases result in worse decisions due to cognitive and contextual confounders. This result challenges the assumed universal benefit of applying these methods and we hope this work will underscore the importance of human evaluation in XAI research. Supplemental materials -- including anonymized data from the experiment, code to replicate the study, an interactive demo of the experiment, and the models used in the analysis -- can be found at: https://doi.pizza/challenging-xai.
Current research in eSports lacks the tools for proper game practising and performance analytics. The majority of prior work relied only on in-game data for advising the players on how to perform better. However, in-game mechanics and trends are frequently changed by new patches limiting the lifespan of the models trained exclusively on the in-game logs. In this article, we propose the methods based on the sensor data analysis for predicting whether a player will win the future encounter. The sensor data were collected from 10 participants in 22 matches in League of Legends video game. We have trained machine learning models including Transformer and Gated Recurrent Unit to predict whether the player wins the encounter taking place after some fixed time in the future. For 10 seconds forecasting horizon Transformer neural network architecture achieves ROC AUC score 0.706. This model is further developed into the detector capable of predicting that a player will lose the encounter occurring in 10 seconds in 88.3% of cases with 73.5% accuracy. This might be used as a players' burnout or fatigue detector, advising players to retreat. We have also investigated which physiological features affect the chance to win or lose the next in-game encounter.