For prediction of interacting agents' trajectories, we propose an end-to-end trainable architecture that hybridizes neural nets with game-theoretic reasoning, has interpretable intermediate representations, and transfers to downstream decision making. It uses a net that reveals preferences from the agents' past joint trajectory, and a differentiable implicit layer that maps these preferences to local Nash equilibria, forming the modes of the predicted future trajectory. Additionally, it learns an equilibrium refinement concept. For tractability, we introduce a new class of continuous potential games and an equilibrium-separating partition of the action space. We provide theoretical results for explicit gradients and soundness. In experiments, we evaluate our approach on two real-world data sets, where we predict highway driver merging trajectories, and on a simple decision-making transfer task.
We developed MLHO (pronounced as melo), an end-to-end Machine Learning framework that leverages iterative feature and algorithm selection to predict Health Outcomes. MLHO implements iterative sequential representation mining, and feature and model selection, for predicting the patient-level risk of hospitalization, ICU admission, need for mechanical ventilation, and death. It bases this prediction on data from patients' past medical records (before their COVID-19 infection). MLHO's architecture enables a parallel and outcome-oriented model calibration, in which different statistical learning algorithms and vectors of features are simultaneously tested to improve the prediction of health outcomes. Using clinical and demographic data from a large cohort of over 13,000 COVID-19-positive patients, we modeled the four adverse outcomes utilizing about 600 features representing patients' pre-COVID health records and demographics. The mean AUC ROC for mortality prediction was 0.91, while the prediction performance ranged between 0.80 and 0.81 for the ICU, hospitalization, and ventilation. We broadly describe the clusters of features that were utilized in modeling and their relative influence for predicting each outcome. Our results demonstrated that while demographic variables (namely age) are important predictors of adverse outcomes after a COVID-19 infection, the incorporation of the past clinical records are vital for a reliable prediction model. As the COVID-19 pandemic unfolds around the world, adaptable and interpretable machine learning frameworks (like MLHO) are crucial to improve our readiness for confronting the potential future waves of COVID-19, as well as other novel infectious diseases that may emerge.
Data quality is a significant issue for any application that requests for analytics to support decision making. It becomes very important when we focus on Internet of Things (IoT) where numerous devices can interact to exchange and process data. IoT devices are connected to Edge Computing (EC) nodes to report the collected data, thus, we have to secure data quality not only at the IoT but also at the edge of the network. In this paper, we focus on the specific problem and propose the use of interpretable machine learning to deliver the features that are important to be based for any data processing activity. Our aim is to secure data quality, at least, for those features that are detected as significant in the collected datasets. We have to notice that the selected features depict the highest correlation with the remaining in every dataset, thus, they can be adopted for dimensionality reduction. We focus on multiple methodologies for having interpretability in our learning models and adopt an ensemble scheme for the final decision. Our scheme is capable of timely retrieving the final result and efficiently select the appropriate features. We evaluate our model through extensive simulations and present numerical results. Our aim is to reveal its performance under various experimental scenarios that we create varying a set of parameters adopted in our mechanism.
Tsetlin Machines (TMs) capture patterns using conjunctive clauses in propositional logic, thus facilitating interpretation. However, recent TM-based approaches mainly rely on inspecting the full range of clauses individually. Such inspection does not necessarily scale to complex prediction problems that require a large number of clauses. In this paper, we propose closed-form expressions for understanding why a TM model makes a specific prediction (local interpretability). Additionally, the expressions capture the most important features of the model overall (global interpretability). We further introduce expressions for measuring the importance of feature value ranges for continuous features. The expressions are formulated directly from the conjunctive clauses of the TM, making it possible to capture the role of features in real-time, also during the learning process as the model evolves. Additionally, from the closed-form expressions, we derive a novel data clustering algorithm for visualizing high-dimensional data in three dimensions. Finally, we compare our proposed approach against SHAP and state-of-the-art interpretable machine learning techniques. For both classification and regression, our evaluation show correspondence with SHAP as well as competitive prediction accuracy in comparison with XGBoost, Explainable Boosting Machines, and Neural Additive Models.
A central mechanism in machine learning is to identify, store, and recognize patterns. How to learn, access, and retrieve such patterns is crucial in Hopfield networks and the more recent transformer architectures. We show that the attention mechanism of transformer architectures is actually the update rule of modern Hopfield networks that can store exponentially many patterns. We exploit this high storage capacity of modern Hopfield networks to solve a challenging multiple instance learning (MIL) problem in computational biology: immune repertoire classification. Accurate and interpretable machine learning methods solving this problem could pave the way towards new vaccines and therapies, which is currently a very relevant research topic intensified by the COVID-19 crisis. Immune repertoire classification based on the vast number of immunosequences of an individual is a MIL problem with an unprecedentedly massive number of instances, two orders of magnitude larger than currently considered problems, and with an extremely low witness rate. In this work, we present our novel method DeepRC that integrates transformer-like attention, or equivalently modern Hopfield networks, into deep learning architectures for massive MIL such as immune repertoire classification. We demonstrate that DeepRC outperforms all other methods with respect to predictive performance on large-scale experiments, including simulated and real-world virus infection data, and enables the extraction of sequence motifs that are connected to a given disease class. Source code and datasets: https://github.com/ml-jku/DeepRC
Modern machine learning systems based on neural networks have shown great success in learning complex data patterns while being able to make good predictions on unseen data points. However, the limited interpretability of these systems hinders further progress and application to several domains in the real world. This predicament is exemplified by time consuming model selection and the difficulties faced in predictive explainability, especially in the presence of adversarial examples. In this paper, we take a step towards better understanding of neural networks by introducing a local polytope interpolation method. The proposed Deep Non Negative Kernel regression (NNK) interpolation framework is non parametric, theoretically simple and geometrically intuitive. We demonstrate instance based explainability for deep learning models and develop a method to identify models with good generalization properties using leave one out estimation. Finally, we draw a rationalization to adversarial and generative examples which are inevitable from an interpolation view of machine learning.
The use of sophisticated machine learning models for critical decision making is faced with a challenge that these models are often applied as a "black-box". This has led to an increased interest in interpretable machine learning, where post hoc interpretation presents a useful mechanism for generating interpretations of complex learning models. In this paper, we propose a novel approach underpinned by an extended framework of Bayesian networks for generating post hoc interpretations of a black-box predictive model. The framework supports extracting a Bayesian network as an approximation of the black-box model for a specific prediction. Compared to the existing post hoc interpretation methods, the contribution of our approach is three-fold. Firstly, the extracted Bayesian network, as a probabilistic graphical model, can provide interpretations about not only what input features but also why these features contributed to a prediction. Secondly, for complex decision problems with many features, a Markov blanket can be generated from the extracted Bayesian network to provide interpretations with a focused view on those input features that directly contributed to a prediction. Thirdly, the extracted Bayesian network enables the identification of four different rules which can inform the decision-maker about the confidence level in a prediction, thus helping the decision-maker assess the reliability of predictions learned by a black-box model. We implemented the proposed approach, applied it in the context of two well-known public datasets and analysed the results, which are made available in an open-source repository.
Interpretable Machine Learning (IML) methods are used to gain insight into the relevance of a feature of interest for the performance of a model. Commonly used IML methods differ in whether they consider features of interest in isolation, e.g., Permutation Feature Importance (PFI), or in relation to all remaining feature variables, e.g., Conditional Feature Importance (CFI). As such, the perturbation mechanisms inherent to PFI and CFI represent extreme reference points. We introduce Relative Feature Importance (RFI), a generalization of PFI and CFI that allows for a more nuanced feature importance computation beyond the PFI versus CFI dichotomy. With RFI, the importance of a feature relative to any other subset of features can be assessed, including variables that were not available at training time. We derive general interpretation rules for RFI based on a detailed theoretical analysis of the implications of relative feature relevance, and demonstrate the method's usefulness on simulated examples.
Despite the growing body of work in interpretable machine learning, it remains unclear how to evaluate different explainability methods without resorting to qualitative assessment and user-studies. While interpretability is an inherently subjective matter, previous works in cognitive science and epistemology have shown that good explanations do possess aspects that can be objectively judged apart from fidelity), such assimplicity and broadness. In this paper we propose a set of metrics to programmatically evaluate interpretability methods along these dimensions. In particular, we argue that the performance of methods along these dimensions can be orthogonally imputed to two conceptual parts, namely the feature extractor and the actual explainability method. We experimentally validate our metrics on different benchmark tasks and show how they can be used to guide a practitioner in the selection of the most appropriate method for the task at hand.
Thompson sampling is a heuristic algorithm for the multi-armed bandit problem which has a long tradition in machine learning. The algorithm has a Bayesian spirit in the sense that it selects arms based on posterior samples of reward probabilities of each arm. By forging a connection between combinatorial binary bandits and spike-and-slab variable selection, we propose a stochastic optimization approach to subset selection called Thompson Variable Selection (TVS). TVS is a framework for interpretable machine learning which does not rely on the underlying model to be linear. TVS brings together Bayesian reinforcement and machine learning in order to extend the reach of Bayesian subset selection to non-parametric models and large datasets with very many predictors and/or very many observations. Depending on the choice of a reward, TVS can be deployed in offline as well as online setups with streaming data batches. Tailoring multiplay bandits to variable selection, we provide regret bounds without necessarily assuming that the arm mean rewards be unrelated. We show a very strong empirical performance on both simulated and real data. Unlike deterministic optimization methods for spike-and-slab variable selection, the stochastic nature makes TVS less prone to local convergence and thereby more robust.
Recent years have witnessed the rapid growth of machine learning in a wide range of fields such as image recognition, text classification, credit scoring prediction, recommendation system, etc. In spite of their great performance in different sectors, researchers still concern about the mechanism under any machine learning (ML) techniques that are inherently black-box and becoming more complex to achieve higher accuracy. Therefore, interpreting machine learning model is currently a mainstream topic in the research community. However, the traditional interpretable machine learning focuses on the association instead of the causality. This paper provides an overview of causal analysis with the fundamental background and key concepts, and then summarizes most recent causal approaches for interpretable machine learning. The evaluation techniques for assessing method quality, and open problems in causal interpretability are also discussed in this paper.
Decision tree optimization is notoriously difficult from a computational perspective but essential for the field of interpretable machine learning. Despite efforts over the past 40 years, only recently have optimization breakthroughs been made that have allowed practical algorithms to find optimal decision trees. These new techniques have the potential to trigger a paradigm shift where it is possible to construct sparse decision trees to efficiently optimize a variety of objective functions without relying on greedy splitting and pruning heuristics that often lead to suboptimal solutions. The contribution in this work is to provide a general framework for decision tree optimization that addresses the two significant open problems in the area: treatment of imbalanced data and fully optimizing over continuous variables. We present techniques that produce optimal decision trees over a variety of objectives including F-score, AUC, and partial area under the ROC convex hull. We also introduce a scalable algorithm that produces provably optimal results in the presence of continuous variables and speeds up decision tree construction by several orders of magnitude relative to the state-of-the art.
Generalized additive models (GAMs) have become a leading modelclass for interpretable machine learning. However, there are many algorithms for training GAMs, and these can learn different or even contradictory models, while being equally accurate. Which GAM should we trust? In this paper, we quantitatively and qualitatively investigate a variety of GAM algorithms on real and simulated datasets. We find that GAMs with high feature sparsity (only using afew variables to make predictions) can miss patterns in the data and be unfair to rare subpopulations. Our results suggest that inductive bias plays a crucial role in what interpretable models learn and that tree-based GAMs represent the best balance of sparsity, fidelity and accuracy and thus appear to be the most trustworthy GAM.
Black box models in machine learning have demonstrated excellent predictive performance in complex problems and high-dimensional settings. However, their lack of transparency and interpretability restrict the applicability of such models in critical decision-making processes. In order to combat this shortcoming, we propose a novel approach to trading off interpretability and performance in prediction models using ideas from semiparametric statistics, allowing us to combine the interpretability of parametric regression models with performance of nonparametric methods. We achieve this by utilizing a two-piece model: the first piece is interpretable and parametric, to which a second, uninterpretable residual piece is added. The performance of the overall model is optimized using methods from the sufficient dimension reduction literature. Influence function based estimators are derived and shown to be doubly robust. This allows for use of approaches such as double Machine Learning in estimating our model parameters. We illustrate the utility of our approach via simulation studies and a data application based on predicting the length of stay in the intensive care unit among surgery patients.
Globally increasing migration pressures call for new modelling approaches in order to design effective policies. It is important to have not only efficient models to predict migration flows but also to understand how specific parameters influence these flows. In this paper, we propose an artificial neural network (ANN) to model international migration. Moreover, we use a technique for interpreting machine learning models, namely Partial Dependence Plots (PDP), to show that one can well study the effects of drivers behind international migration. We train and evaluate the model on a dataset containing annual international bilateral migration from $1960$ to $2010$ from $175$ origin countries to $33$ mainly OECD destinations, along with the main determinants as identified in the migration literature. The experiments carried out confirm that: 1) the ANN model is more efficient w.r.t. a traditional model, and 2) using PDP we are able to gain additional insights on the specific effects of the migration drivers. This approach provides much more information than only using the feature importance information used in previous works.
The outbreak of COVID-19 has shocked the entire world with its fairly rapid spread and has challenged different sectors. One of the most effective ways to limit its spread is the early and accurate diagnosing infected patients. Medical imaging, such as X-ray and Computed Tomography (CT), combined with the potential of Artificial Intelligence (AI), plays an essential role in supporting medical personnel in the diagnosis process. Thus, in this article five different deep learning models (ResNet18, ResNet34, InceptionV3, InceptionResNetV2 and DenseNet161) and their ensemble, using majority voting have been used to classify COVID-19, pneumoni{\ae} and healthy subjects using chest X-ray images. Multilabel classification was performed to predict multiple pathologies for each patient, if present. Firstly, the interpretability of each of the networks was thoroughly studied using local interpretability methods - occlusion, saliency, input X gradient, guided backpropagation, integrated gradients, and DeepLIFT, and using a global technique - neuron activation profiles. The mean Micro-F1 score of the models for COVID-19 classifications ranges from 0.66 to 0.875, and is 0.89 for the ensemble of the network models. The qualitative results showed that the ResNets were the most interpretable models. This research demonstrates the importance of using interpretability methods to compare different models before making a decision regarding the best performing model.
In an ever-increasing interest for Machine Learning (ML) and a favorable data development context, we here propose an original methodology for data-based prediction of two-dimensional physical fields. Polynomial Chaos Expansion (PCE), widely used in the Uncertainty Quantification community (UQ), has long been employed as a robust representation for probabilistic input-to-output mapping. It has been recently tested in a pure ML context, and shown to be as powerful as classical ML techniques for point-wise prediction. Some advantages are inherent to the method, such as its explicitness and adaptability to small training sets, in addition to the associated probabilistic framework. Simultaneously, Dimensionality Reduction (DR) techniques are increasingly used for pattern recognition and data compression and have gained interest due to improved data quality. In this study, the interest of Proper Orthogonal Decomposition (POD) for the construction of a statistical predictive model is demonstrated. Both POD and PCE have amply proved their worth in their respective frameworks. The goal of the present paper was to combine them for a field-measurement-based forecasting. The described steps are also useful to analyze the data. Some challenging issues encountered when using multidimensional field measurements are addressed, for example when dealing with few data. The POD-PCE coupling methodology is presented, with particular focus on input data characteristics and training-set choice. A simple methodology for evaluating the importance of each physical parameter is proposed for the PCE model and extended to the POD-PCE coupling.
Principles of analogical reasoning have recently been applied in the context of machine learning, for example to develop new methods for classification and preference learning. In this paper, we argue that, while analogical reasoning is certainly useful for constructing new learning algorithms with high predictive accuracy, is is arguably not less interesting from an interpretability and explainability point of view. More specifically, we take the view that an analogy-based approach is a viable alternative to existing approaches in the realm of explainable AI and interpretable machine learning, and that analogy-based explanations of the predictions produced by a machine learning algorithm can complement similarity-based explanations in a meaningful way. To corroborate these claims, we outline the basic idea of an analogy-based explanation and illustrate its potential usefulness by means of some examples.
Recently, applying deep neural networks in IR has become an important and timely topic. For instance, Neural Ranking Models(NRMs) have shown promising performance compared to the traditional ranking models. However, explaining the ranking results has become even more difficult with NRM due to the complex structure of neural networks. On the other hand, a great deal of research is under progress on Interpretable Machine Learning(IML), including Grad-CAM. Grad-CAM is an attribution method and it can visualize the input regions that contribute to the network's output. In this paper, we adopt Grad-CAM for interpreting the ranking results of NRM. By adopting Grad-CAM, we analyze how each query-document term pair contributes to the matching score for a given pair of query and document. The visualization results provide insights on why a certain document is relevant to the given query. Also, the results show that neural ranking model captures the subtle notion of relevance. Our interpretation method and visualization results can be used for snippet generation and user-query intent analysis.
Objectives: We study interpretable recidivism prediction using machine learning (ML) models and analyze performance in terms of prediction ability, sparsity, and fairness. Unlike previous works, this study trains interpretable models that output probabilities rather than binary predictions, and uses quantitative fairness definitions to assess the models. This study also examines whether models can generalize across geographic locations. Methods: We generated black-box and interpretable ML models on two different criminal recidivism datasets from Florida and Kentucky. We compared predictive performance and fairness of these models against two methods that are currently used in the justice system to predict pretrial recidivism: the Arnold PSA and COMPAS. We evaluated predictive performance of all models on predicting six different types of crime over two time spans. Results: Several interpretable ML models can predict recidivism as well as black-box ML models and are more accurate than COMPAS or the Arnold PSA. These models are potentially useful in practice. Similar to the Arnold PSA, some of these interpretable models can be written down as a simple table. Others can be displayed using a set of visualizations. Our geographic analysis indicates that ML models should be trained separately for separate locations and updated over time. We also present a fairness analysis for the interpretable models. Conclusions: Interpretable machine learning models can perform just as well as non-interpretable methods and currently-used risk assessment scales, in terms of both prediction accuracy and fairness. Machine learning models might be more accurate when trained separately for distinct locations and kept up-to-date.