Research Papers

This paper addresses the challenge of selecting explanations for XAI (Explainable AI)-based Intelligent Decision Support Systems (IDSSs). IDSSs have shown promise in improving user decisions through XAI-generated explanations along with AI predictions, and the development of XAI made it possible to generate a variety of such explanations. However, how IDSSs should select explanations to enhance user decision-making remains an open question. This paper proposes X-Selector, a method for selectively presenting XAI explanations. It enables IDSSs to strategically guide users to an AI-suggested decision by predicting the impact of different combinations of explanations on a user's decision and selecting the combination that is expected to minimize the discrepancy between an AI suggestion and a user decision. We compared the efficacy of X-Selector with two naive strategies (all possible explanations and explanations only for the most likely prediction) and two baselines (no explanation and no AI support). The results suggest the potential of X-Selector to guide users to AI-suggested decisions and improve task performance under the condition of a high AI accuracy.

With the widespread application of artificial intelligence(AI), the explainable AI (XAI) field has undergone a notable resurgence. In this background, the importance of user experience in XAI has become increasingly prominent. Simultaneously, the user interface (UI) serves as a crucial link between XAI and users. However, despite the existence of UI design principles for XAI, there is a lack of prioritization based on their significance. This will lead practitioners to have a vague understanding of different design principles, making it difficult to allocate design space reasonably and emphasize design focal points. This paper aims to prioritize four design principles, providing clear guidance for UI design in XAI. Initially, we conducted a lightweight summary to derive five user experience standards for non-expert users in XAI. Subsequently, we developed four corresponding webpage prototypes for the four design principles. Nineteen participants then interacted with these prototypes, providing ratings based on five user experience standards, and We calculated the weights of the design principles. Our findings indicate that, for non-expert users, "sensitivity" is the optimal UI design principle (weight = 0.3296), followed by "flexibility" (weight = 0.3014). Finally, we engage in further discussion and summarization of our research results, and present future works and limitations.

The present work shows that the free energy landscape associated with alanine dipeptide isomerization can be effectively represented by specific interatomic distances without explicit reference to dihedral angles. Conventionally, two stable states of alanine dipeptide in vacuum, i.e., C$7_{\mathrm{eq}}$ ($β$-sheet structure) and C$7_{\mathrm{ax}}$ (left handed $α$-helix structure), have been primarily characterized using the main chain dihedral angles, $\varphi$ (C-N-C$_α$-C) and $ψ$ (N-C$_α$-C-N). However, our recent deep learning combined with "Explainable AI" (XAI) framework has shown that the transition state can be adequately captured by a free energy landscape using $\varphi$ and $θ$ (O-C-N-C$_α$) [T. Kikutsuji, et al. J. Chem. Phys. 156, 154108 (2022)]. In perspective of extending these insights to other collective variables, a more detailed characterization of transition state is required. In this work, we employ the interatomic distances and bond angles as input variables for deep learning, rather than the conventional and more elaborate dihedral angles. Our approach utilizes deep learning to investigate whether changes in the main chain dihedral angle can be expressed in terms of interatomic distances and bond angles. Furthermore, by incorporating XAI into our predictive analysis, we quantified the importance of each input variable and succeeded in clarifying the specific interatomic distance that affects the transition state. The results indicate that constructing a free energy landscape based on using the identified interatomic distance can clearly distinguish between the two stable states and provide a comprehensive explanation for the energy barrier crossing.

Approximating the Core via Iterative Coalition Sampling

Ian Gemp, Marc Lanctot, Luke Marris +11

The core is a central solution concept in cooperative game theory, defined as the set of feasible allocations or payments such that no subset of agents has incentive to break away and form their own subgroup or coalition. However, it has long been known that the core (and approximations, such as the least-core) are hard to compute. This limits our ability to analyze cooperative games in general, and to fully embrace cooperative game theory contributions in domains such as explainable AI (XAI), where the core can complement the Shapley values to identify influential features or instances supporting predictions by black-box models. We propose novel iterative algorithms for computing variants of the core, which avoid the computational bottleneck of many other approaches; namely solving large linear programs. As such, they scale better to very large problems as we demonstrate across different classes of cooperative games, including weighted voting games, induced subgraph games, and marginal contribution networks. We also explore our algorithms in the context of XAI, providing further evidence of the power of the core for such applications.

The truthfulness of existing explanation methods in authentically elucidating the underlying model's decision-making process has been questioned. Existing methods have deviated from faithfully representing the model, thus susceptible to adversarial attacks. To address this, we propose a novel eXplainable AI (XAI) method called SRD (Sharing Ratio Decomposition), which sincerely reflects the model's inference process, resulting in significantly enhanced robustness in our explanations. Different from the conventional emphasis on the neuronal level, we adopt a vector perspective to consider the intricate nonlinear interactions between filters. We also introduce an interesting observation termed Activation-Pattern-Only Prediction (APOP), letting us emphasize the importance of inactive neurons and redefine relevance encapsulating all relevant information including both active and inactive neurons. Our method, SRD, allows for the recursive decomposition of a Pointwise Feature Vector (PFV), providing a high-resolution Effective Receptive Field (ERF) at any layer.

KAXAI: An Integrated Environment for Knowledge Analysis and Explainable AI

Saikat Barua, Sifat Momen

In order to fully harness the potential of machine learning, it is crucial to establish a system that renders the field more accessible and less daunting for individuals who may not possess a comprehensive understanding of its intricacies. The paper describes the design of a system that integrates AutoML, XAI, and synthetic data generation to provide a great UX design for users. The system allows users to navigate and harness the power of machine learning while abstracting its complexities and providing high usability. The paper proposes two novel classifiers, Logistic Regression Forest and Support Vector Tree, for enhanced model performance, achieving 96\% accuracy on a diabetes dataset and 93\% on a survey dataset. The paper also introduces a model-dependent local interpreter called MEDLEY and evaluates its interpretation against LIME, Greedy, and Parzen. Additionally, the paper introduces LLM-based synthetic data generation, library-based data generation, and enhancing the original dataset with GAN. The findings on synthetic data suggest that enhancing the original dataset with GAN is the most reliable way to generate synthetic data, as evidenced by KS tests, standard deviation, and feature importance. The authors also found that GAN works best for quantitative datasets.

Explainable AI (XAI) has unfolded in two distinct research directions with, on the one hand, post-hoc methods that explain the predictions of a pre-trained black-box model and, on the other hand, self-explainable models (SEMs) which are trained directly to provide explanations alongside their predictions. While the latter is preferred in safety-critical scenarios, post-hoc approaches have received the majority of attention until now, owing to their simplicity and ability to explain base models without retraining. Current SEMs, instead, require complex architectures and heavily regularized loss functions, thus necessitating specific and costly training. To address this shortcoming and facilitate wider use of SEMs, we propose a simple yet efficient universal method called KMEx (K-Means Explainer), which can convert any existing pre-trained model into a prototypical SEM. The motivation behind KMEx is to enhance transparency in deep learning-based decision-making via class-prototype-based explanations that are diverse and trustworthy without retraining the base model. We compare models obtained from KMEx to state-of-the-art SEMs using an extensive qualitative evaluation to highlight the strengths and weaknesses of each model, further paving the way toward a more reliable and objective evaluation of SEMs (The code is available at https://github.com/SrishtiGautam/KMEx).

Explainability and uncertainty quantification are key to trustable artificial intelligence. However, the reasoning behind uncertainty estimates is generally left unexplained. Identifying the drivers of uncertainty complements explanations of point predictions in recognizing model limitations and enhancing transparent decision-making. So far, explanations of uncertainties have been rarely studied. The few exceptions rely on Bayesian neural networks or technically intricate approaches, such as auxiliary generative models, thereby hindering their broad adoption. We propose a straightforward approach to explain predictive aleatoric uncertainties. We estimate uncertainty in regression as predictive variance by adapting a neural network with a Gaussian output distribution. Subsequently, we apply out-of-the-box explainers to the model's variance output. This approach can explain uncertainty influences more reliably than complex published approaches, which we demonstrate in a synthetic setting with a known data-generating process. We substantiate our findings with a nuanced, quantitative benchmark including synthetic and real, tabular and image datasets. For this, we adapt metrics from conventional XAI research to uncertainty explanations. Overall, the proposed method explains uncertainty estimates with little modifications to the model architecture and outperforms more intricate methods in most settings.

Although much work has been done on explainability in the computer vision and natural language processing (NLP) fields, there is still much work to be done to explain methods applied to time series as time series by nature can not be understood at first sight. In this paper, we present a Deep Neural Network (DNN) in a teacher-student architecture (distillation model) that offers interpretability in time-series classification tasks. The explainability of our approach is based on transforming the time series to 2D plots and applying image highlight methods (such as LIME and GradCam), making the predictions interpretable. At the same time, the proposed approach offers increased accuracy competing with the baseline model with the trade-off of increasing the training time.

In the realm of industrial manufacturing, product inspection remains a significant bottleneck, with only a small fraction of manufactured items undergoing inspection for surface defects. Advances in imaging systems and AI can allow automated full inspection of manufactured surfaces. However, even the most contemporary imaging and machine learning methods perform poorly for detecting defects in images with highly textured backgrounds, that stem from diverse manufacturing processes. This paper introduces an approach based on graph Fourier analysis to automatically identify defective images, as well as crucial graph Fourier coefficients that inform the defects in images amidst highly textured backgrounds. The approach capitalizes on the ability of graph representations to capture the complex dynamics inherent in high-dimensional data, preserving crucial locality properties in a lower dimensional space. A convolutional neural network model (1D-CNN) was trained with the coefficients of the graph Fourier transform of the images as the input to identify, with classification accuracy of 99.4%, if the image contains a defect. An explainable AI method using SHAP (SHapley Additive exPlanations) was used to further analyze the trained 1D-CNN model to discern important spectral coefficients for each image. This approach sheds light on the crucial contribution of low-frequency graph eigen waveforms to precisely localize surface defects in images, thereby advancing the realization of zero-defect manufacturing.

In this work, CT-xCOV, an explainable framework for COVID-19 diagnosis using Deep Learning (DL) on CT-scans is developed. CT-xCOV adopts an end-to-end approach from lung segmentation to COVID-19 detection and explanations of the detection model's prediction. For lung segmentation, we used the well-known U-Net model. For COVID-19 detection, we compared three different CNN architectures: a standard CNN, ResNet50, and DenseNet121. After the detection, visual and textual explanations are provided. For visual explanations, we applied three different XAI techniques, namely, Grad-Cam, Integrated Gradient (IG), and LIME. Textual explanations are added by computing the percentage of infection by lungs. To assess the performance of the used XAI techniques, we propose a ground-truth-based evaluation method, measuring the similarity between the visualization outputs and the ground-truth infections. The performed experiments show that the applied DL models achieved good results. The U-Net segmentation model achieved a high Dice coefficient (98%). The performance of our proposed classification model (standard CNN) was validated using 5-fold cross-validation (acc of 98.40% and f1-score 98.23%). Lastly, the results of the comparison of XAI techniques show that Grad-Cam gives the best explanations compared to LIME and IG, by achieving a Dice coefficient of 55%, on COVID-19 positive scans, compared to 29% and 24% obtained by IG and LIME respectively. The code and the dataset used in this paper are available in the GitHub repository [1].

Liver diseases pose a significant global health burden, impacting many individuals and having substantial economic and social consequences. Rising liver problems are considered a fatal disease in many countries, such as Egypt and Moldova. This study aims to develop a diagnosis and treatment model for liver disease using Basic Formal Ontology (BFO), Patient Clinical Data (PCD) ontology, and detection rules derived from a decision tree algorithm. For the development of the ontology, the National Viral Hepatitis Control Program (NVHCP) guidelines were used, which made the ontology more accurate and reliable. The Apache Jena framework uses batch processing to detect events based on these rules. Based on the event detected, queries can be directly processed using SPARQL. We convert these Decision Tree (DT) and medical guidelines-based rules into Semantic Web Rule Language (SWRL) to operationalize the ontology. Using this SWRL in the ontology to predict different types of liver disease with the help of the Pellet and Drools inference engines in Protege Tools, a total of 615 records were taken from different liver diseases. After inferring the rules, the result can be generated for the patient according to the rules, and other patient-related details, along with different precautionary suggestions, can be obtained based on these results. These rules can make suggestions more accurate with the help of Explainable Artificial Intelligence (XAI) with open API-based suggestions. When the patient has prescribed a medical test, the model accommodates this result using optical character recognition (OCR), and the same process applies when the patient has prescribed a further medical suggestion according to the test report. These models combine to form a comprehensive Decision Support System (DSS) for the diagnosis of liver disease.