With the impressive progress of deep learning, applications relying on machine learning are increasingly being integrated into daily life. However, most deep learning models have an opaque, oracle-like nature making it difficult to interpret and understand their decisions. This problem led to the development of the field known as eXplainable Artificial Intelligence (XAI). One method in this field known as Projective Simulation (PS) models a chain-of-thought as a random walk of a particle on a graph with vertices that have concepts attached to them. While this description has various benefits, including the possibility of quantization, it cannot be naturally used to model thoughts that combine several concepts simultaneously. To overcome this limitation, we introduce Multi-Excitation Projective Simulation (mePS), a generalization that considers a chain-of-thought to be a random walk of several particles on a hypergraph. A definition for a dynamic hypergraph is put forward to describe the agent's training history along with applications to AI and hypergraph visualization. An inductive bias inspired by the remarkably successful few-body interaction models used in quantum many-body physics is formalized for our classical mePS framework and employed to tackle the exponential complexity associated with naive implementations of hypergraphs. We prove that our inductive bias reduces the complexity from exponential to polynomial, with the exponent representing the cutoff on how many particles can interact. We numerically apply our method to two toy environments and a more complex scenario modelling the diagnosis of a broken computer. These environments demonstrate the resource savings provided by an appropriate choice of inductive bias, as well as showcasing aspects of interpretability. A quantum model for mePS is also briefly outlined and some future directions for it are discussed.
This paper proposed a comprehensive mixed-methods framework with varied samples of older adults, including user experience, usability assessments, and in-depth interviews with the integration of Explainable Artificial Intelligence (XAI) methods. The experience of older adults' interaction with the Ehealth interface is collected through interviews and transformed into operatable databases whereas XAI methods are utilized to explain the collected interview results in this research work. The results show that XAI-infused e-health interfaces could play an important role in bridging the age-related digital divide by investigating elders' preferences when interacting with E-health interfaces. Furthermore, the study identifies important design factors, such as intuitive visualization and straightforward explanations, that are critical for creating efficient Human Computer Interaction (HCI) tools among older users. Furthermore, this study emphasizes the revolutionary potential of XAI in e-health interfaces for older users, emphasizing the importance of transparency and understandability in HCI-driven healthcare solutions. This study's findings have far-reaching implications for the design and development of user-centric e-health technologies, intending to increase the overall well-being of older adults.
Gradient Boost Decision Trees (GBDT) is a powerful additive model based on tree ensembles. Its nature makes GBDT a black-box model even though there are multiple explainable artificial intelligence (XAI) models obtaining information by reinterpreting the model globally and locally. Each tree of the ensemble is a transparent model itself but the final outcome is the result of a sum of these trees and it is not easy to clarify. In this paper, a feature contribution method for GBDT is developed. The proposed method takes advantage of the GBDT architecture to calculate the contribution of each feature using the residue of each node. This algorithm allows to calculate the sequence of node decisions given a prediction. Theoretical proofs and multiple experiments have been carried out to demonstrate the performance of our method which is not only a local explicability model for the GBDT algorithm but also a unique option that reflects GBDTs internal behavior. The proposal is aligned to the contribution of characteristics having impact in some artificial intelligence problems such as ethical analysis of Artificial Intelligence (AI) and comply with the new European laws such as the General Data Protection Regulation (GDPR) about the right to explain and nondiscrimination.
Quality assessment, including inspecting the images for artifacts, is a critical step during MRI data acquisition to ensure data quality and downstream analysis or interpretation success. This study demonstrates a deep learning model to detect rigid motion in T1-weighted brain images. We leveraged a 2D CNN for three-class classification and tested it on publicly available retrospective and prospective datasets. Grad-CAM heatmaps enabled the identification of failure modes and provided an interpretation of the model's results. The model achieved average precision and recall metrics of 85% and 80% on six motion-simulated retrospective datasets. Additionally, the model's classifications on the prospective dataset showed a strong inverse correlation (-0.84) compared to average edge strength, an image quality metric indicative of motion. This model is part of the ArtifactID tool, aimed at inline automatic detection of Gibbs ringing, wrap-around, and motion artifacts. This tool automates part of the time-consuming QA process and augments expertise on-site, particularly relevant in low-resource settings where local MR knowledge is scarce.
This work proposes for the first time to utilize the regular smartphone -- a popular assistive gadget -- to design a novel, non-invasive method for self-monitoring of one's hydration level on a scale of 1 to 4. The proposed method involves recording a small video of a fingertip using the smartphone camera. Subsequently, a photoplethysmography (PPG) signal is extracted from the video data, capturing the fluctuations in peripheral blood volume as a reflection of a person's hydration level changes over time. To train and evaluate the artificial intelligence models, a custom multi-session labeled dataset was constructed by collecting video-PPG data from 25 fasting subjects during the month of Ramadan in 2023. With this, we solve two distinct problems: 1) binary classification (whether a person is hydrated or not), 2) four-class classification (whether a person is fully hydrated, mildly dehydrated, moderately dehydrated, or extremely dehydrated). For both classification problems, we feed the pre-processed and augmented PPG data to a number of machine learning, deep learning and transformer models which models provide a very high accuracy, i.e., in the range of 95% to 99%. We also propose an alternate method where we feed high-dimensional PPG time-series data to a DL model for feature extraction, followed by t-SNE method for feature selection and dimensionality reduction, followed by a number of ML classifiers that do dehydration level classification. Finally, we interpret the decisions by the developed deep learning model under the SHAP-based explainable artificial intelligence framework. The proposed method allows rapid, do-it-yourself, at-home testing of one's hydration level, is cost-effective and thus inline with the sustainable development goals 3 & 10 of the United Nations, and a step-forward to patient-centric healthcare systems, smart homes, and smart cities of future.
Online Judge (OJ) systems are typically considered within programming-related courses as they yield fast and objective assessments of the code developed by the students. Such an evaluation generally provides a single decision based on a rubric, most commonly whether the submission successfully accomplished the assignment. Nevertheless, since in an educational context such information may be deemed insufficient, it would be beneficial for both the student and the instructor to receive additional feedback about the overall development of the task. This work aims to tackle this limitation by considering the further exploitation of the information gathered by the OJ and automatically inferring feedback for both the student and the instructor. More precisely, we consider the use of learning-based schemes -- particularly, multi-instance learning (MIL) and classical machine learning formulations -- to model student behavior. Besides, explainable artificial intelligence (XAI) is contemplated to provide human-understandable feedback. The proposal has been evaluated considering a case of study comprising 2500 submissions from roughly 90 different students from a programming-related course in a computer science degree. The results obtained validate the proposal: The model is capable of significantly predicting the user outcome (either passing or failing the assignment) solely based on the behavioral pattern inferred by the submissions provided to the OJ. Moreover, the proposal is able to identify prone-to-fail student groups and profiles as well as other relevant information, which eventually serves as feedback to both the student and the instructor.
This paper presents an approach integrating explainable artificial intelligence (XAI) techniques with adaptive learning to enhance energy consumption prediction models, with a focus on handling data distribution shifts. Leveraging SHAP clustering, our method provides interpretable explanations for model predictions and uses these insights to adaptively refine the model, balancing model complexity with predictive performance. We introduce a three-stage process: (1) obtaining SHAP values to explain model predictions, (2) clustering SHAP values to identify distinct patterns and outliers, and (3) refining the model based on the derived SHAP clustering characteristics. Our approach mitigates overfitting and ensures robustness in handling data distribution shifts. We evaluate our method on a comprehensive dataset comprising energy consumption records of buildings, as well as two additional datasets to assess the transferability of our approach to other domains, regression, and classification problems. Our experiments demonstrate the effectiveness of our approach in both task types, resulting in improved predictive performance and interpretable model explanations.
With the rise of complex cyber devices Cyber Forensics (CF) is facing many new challenges. For example, there are dozens of systems running on smartphones, each with more than millions of downloadable applications. Sifting through this large amount of data and making sense requires new techniques, such as from the field of Artificial Intelligence (AI). To apply these techniques successfully in CF, we need to justify and explain the results to the stakeholders of CF, such as forensic analysts and members of the court, for them to make an informed decision. If we want to apply AI successfully in CF, there is a need to develop trust in AI systems. Some other factors in accepting the use of AI in CF are to make AI authentic, interpretable, understandable, and interactive. This way, AI systems will be more acceptable to the public and ensure alignment with legal standards. An explainable AI (XAI) system can play this role in CF, and we call such a system XAI-CF. XAI-CF is indispensable and is still in its infancy. In this paper, we explore and make a case for the significance and advantages of XAI-CF. We strongly emphasize the need to build a successful and practical XAI-CF system and discuss some of the main requirements and prerequisites of such a system. We present a formal definition of the terms CF and XAI-CF and a comprehensive literature review of previous works that apply and utilize XAI to build and increase trust in CF. We discuss some challenges facing XAI-CF. We also provide some concrete solutions to these challenges. We identify key insights and future research directions for building XAI applications for CF. This paper is an effort to explore and familiarize the readers with the role of XAI applications in CF, and we believe that our work provides a promising basis for future researchers interested in XAI-CF.
Background: Virtual Screening (VS) has become an essential tool in drug discovery, enabling the rapid and cost-effective identification of potential bioactive molecules. Among recent advancements, Graph Neural Networks (GNNs) have gained prominence for their ability to model complex molecular structures using graph-based representations. However, the integration of explainable methods to elucidate the specific contributions of molecular substructures to biological activity remains a significant challenge. This limitation hampers both the interpretability of predictive models and the rational design of novel therapeutics. Results: We trained 20 GNN models on a dataset of small molecules with the goal of predicting their activity on 20 distinct protein targets from the Kinase family. These classifiers achieved state-of-the-art performance in virtual screening tasks, demonstrating high accuracy and robustness on different targets. Building upon these models, we implemented the Hierarchical Grad-CAM graph Explainer (HGE) framework, enabling an in-depth analysis of the molecular moieties driving protein-ligand binding stabilization. HGE exploits Grad-CAM explanations at the atom, ring, and whole-molecule levels, leveraging the message-passing mechanism to highlight the most relevant chemical moieties. Validation against experimental data from the literature confirmed the ability of the explainer to recognize a molecular pattern of drugs and correctly annotate them to the known target. Conclusion: Our approach may represent a valid support to shorten both the screening and the hit discovery process. Detailed knowledge of the molecular substructures that play a role in the binding process can help the computational chemist to gain insights into the structure optimization, as well as in drug repurposing tasks.
Explainable artificial intelligence (XAI) has helped elucidate the internal mechanisms of machine learning algorithms, bolstering their reliability by demonstrating the basis of their predictions. Several XAI models consider causal relationships to explain models by examining the input-output relationships of prediction models and the dependencies between features. The majority of these models have been based their explanations on counterfactual probabilities, assuming that the causal graph is known. However, this assumption complicates the application of such models to real data, given that the causal relationships between features are unknown in most cases. Thus, this study proposed a novel XAI framework that relaxed the constraint that the causal graph is known. This framework leveraged counterfactual probabilities and additional prior information on causal structure, facilitating the integration of a causal graph estimated through causal discovery methods and a black-box classification model. Furthermore, explanatory scores were estimated based on counterfactual probabilities. Numerical experiments conducted employing artificial data confirmed the possibility of estimating the explanatory score more accurately than in the absence of a causal graph. Finally, as an application to real data, we constructed a classification model of credit ratings assigned by Shiga Bank, Shiga prefecture, Japan. We demonstrated the effectiveness of the proposed method in cases where the causal graph is unknown.
Machine learning methods have been remarkably successful in material science, providing novel scientific insights, guiding future laboratory experiments, and accelerating materials discovery. Despite the promising performance of these models, understanding the decisions they make is also essential to ensure the scientific value of their outcomes. However, there is a recent and ongoing debate about the diversity of explanations, which potentially leads to scientific inconsistency. This Perspective explores the sources and implications of these diverse explanations in ML applications for physical sciences. Through three case studies in materials science and molecular property prediction, we examine how different models, explanation methods, levels of feature attribution, and stakeholder needs can result in varying interpretations of ML outputs. Our analysis underscores the importance of considering multiple perspectives when interpreting ML models in scientific contexts and highlights the critical need for scientists to maintain control over the interpretation process, balancing data-driven insights with domain expertise to meet specific scientific needs. By fostering a comprehensive understanding of these inconsistencies, we aim to contribute to the responsible integration of eXplainable Artificial Intelligence (XAI) into physical sciences and improve the trustworthiness of ML applications in scientific discovery.
This paper addresses the unique challenges associated with uncertainty quantification in AI models when applied to patient-facing contexts within healthcare. Unlike traditional eXplainable Artificial Intelligence (XAI) methods tailored for model developers or domain experts, additional considerations of communicating in natural language, its presentation and evaluating understandability are necessary. We identify the challenges in communication model performance, confidence, reasoning and unknown knowns using natural language in the context of risk prediction. We propose a design aimed at addressing these challenges, focusing on the specific application of in-vitro fertilisation outcome prediction.
In the digital era, the prevalence of depressive symptoms expressed on social media has raised serious concerns, necessitating advanced methodologies for timely detection. This paper addresses the challenge of interpretable depression detection by proposing a novel methodology that effectively combines Large Language Models (LLMs) with eXplainable Artificial Intelligence (XAI) and conversational agents like ChatGPT. In our methodology, explanations are achieved by integrating BERTweet, a Twitter-specific variant of BERT, into a novel self-explanatory model, namely BERT-XDD, capable of providing both classification and explanations via masked attention. The interpretability is further enhanced using ChatGPT to transform technical explanations into human-readable commentaries. By introducing an effective and modular approach for interpretable depression detection, our methodology can contribute to the development of socially responsible digital platforms, fostering early intervention and support for mental health challenges under the guidance of qualified healthcare professionals.
This paper presents a comprehensive comparative analysis of explainable artificial intelligence (XAI) ensembling methods. Our research brings three significant contributions. Firstly, we introduce a novel ensembling method, NormEnsembleXAI, that leverages minimum, maximum, and average functions in conjunction with normalization techniques to enhance interpretability. Secondly, we offer insights into the strengths and weaknesses of XAI ensemble methods. Lastly, we provide a library, facilitating the practical implementation of XAI ensembling, thus promoting the adoption of transparent and interpretable deep learning models.
This position paper presents a theoretical framework for enhancing explainable artificial intelligence (xAI) through emergent communication (EmCom), focusing on creating a causal understanding of AI model outputs. We explore the novel integration of EmCom into AI systems, offering a paradigm shift from conventional associative relationships between inputs and outputs to a more nuanced, causal interpretation. The framework aims to revolutionize how AI processes are understood, making them more transparent and interpretable. While the initial application of this model is demonstrated on synthetic data, the implications of this research extend beyond these simple applications. This general approach has the potential to redefine interactions with AI across multiple domains, fostering trust and informed decision-making in healthcare and in various sectors where AI's decision-making processes are critical. The paper discusses the theoretical underpinnings of this approach, its potential broad applications, and its alignment with the growing need for responsible and transparent AI systems in an increasingly digital world.
This thesis comprises the first three chapters dedicated to providing an overview of Gamma Ray-Bursts (GRBs), their properties, the instrumentation used to detect them, and Artificial Intelligence (AI) applications in the context of GRBs, including a literature review and future prospects. Considering both the current and the next generation of high X-ray monitors, such as Fermi-GBM and HERMES Pathfinder (an in-orbit demonstration of six 3U nano-satellites), the research question revolves around the detection of long and faint high-energy transients, potentially GRBs, that might have been missed by previous detection algorithms. To address this, two chapters introduce a new data-driven framework, DeepGRB. In Chapter 4, a Neural Network (NN) is described for background count rate estimation for X/gamma-ray detectors, providing a performance evaluation in different periods, including both solar maxima, solar minima periods, and one containing an ultra-long GRB. The application of eXplainable Artificial Intelligence (XAI) is performed for global and local feature importance analysis to better understand the behavior of the NN. Chapter 5 employs FOCuS-Poisson for anomaly detection in count rate observations and estimation from the NN. DeepGRB demonstrates its capability to process Fermi-GBM data, confirming cataloged events and identifying new ones, providing further analysis with estimates for localization, duration, and classification. The chapter concludes with an automated classification method using Machine Learning techniques that incorporates XAI for eventual bias identification.
The field of Explainable Artificial Intelligence (XAI) often focuses on users with a strong technical background, making it challenging for non-experts to understand XAI methods. This paper presents "x-[plAIn]", a new approach to make XAI more accessible to a wider audience through a custom Large Language Model (LLM), developed using ChatGPT Builder. Our goal was to design a model that can generate clear, concise summaries of various XAI methods, tailored for different audiences, including business professionals and academics. The key feature of our model is its ability to adapt explanations to match each audience group's knowledge level and interests. Our approach still offers timely insights, facilitating the decision-making process by the end users. Results from our use-case studies show that our model is effective in providing easy-to-understand, audience-specific explanations, regardless of the XAI method used. This adaptability improves the accessibility of XAI, bridging the gap between complex AI technologies and their practical applications. Our findings indicate a promising direction for LLMs in making advanced AI concepts more accessible to a diverse range of users.
In the realm of automatic speech recognition (ASR), the quest for models that not only perform with high accuracy but also offer transparency in their decision-making processes is crucial. The potential of quality estimation (QE) metrics is introduced and evaluated as a novel tool to enhance explainable artificial intelligence (XAI) in ASR systems. Through experiments and analyses, the capabilities of the NoRefER (No Reference Error Rate) metric are explored in identifying word-level errors to aid post-editors in refining ASR hypotheses. The investigation also extends to the utility of NoRefER in the corpus-building process, demonstrating its effectiveness in augmenting datasets with insightful annotations. The diagnostic aspects of NoRefER are examined, revealing its ability to provide valuable insights into model behaviors and decision patterns. This has proven beneficial for prioritizing hypotheses in post-editing workflows and fine-tuning ASR models. The findings suggest that NoRefER is not merely a tool for error detection but also a comprehensive framework for enhancing ASR systems' transparency, efficiency, and effectiveness. To ensure the reproducibility of the results, all source codes of this study are made publicly available.
Background: Pain assessment in individuals with neurological conditions, especially those with limited self-report ability and altered facial expressions, presents challenges. Existing measures, relying on direct observation by caregivers, lack sensitivity and specificity. In cerebral palsy, pain is a common comorbidity and a reliable evaluation protocol is crucial. Thus, having an automatic system that recognizes facial expressions could be of enormous help when diagnosing pain in this type of patient. Objectives: 1) to build a dataset of facial pain expressions in individuals with cerebral palsy, and 2) to develop an automated facial recognition system based on deep learning for pain assessment addressed to this population. Methods: Ten neural networks were trained on three pain image databases, including the UNBC-McMaster Shoulder Pain Expression Archive Database, the Multimodal Intensity Pain Dataset, and the Delaware Pain Database. Additionally, a curated dataset (CPPAIN) was created, consisting of 109 preprocessed facial pain expression images from individuals with cerebral palsy, categorized by two physiotherapists using the Facial Action Coding System observational scale. Results: InceptionV3 exhibited promising performance on the CP-PAIN dataset, achieving an accuracy of 62.67% and an F1 score of 61.12%. Explainable artificial intelligence techniques revealed consistent essential features for pain identification across models. Conclusion: This study demonstrates the potential of deep learning models for robust pain detection in populations with neurological conditions and communication disabilities. The creation of a larger dataset specific to cerebral palsy would further enhance model accuracy, offering a valuable tool for discerning subtle and idiosyncratic pain expressions. The insights gained could extend to other complex neurological conditions.
While shallow decision trees may be interpretable, larger ensemble models like gradient-boosted trees, which often set the state of the art in machine learning problems involving tabular data, still remain black box models. As a remedy, the Shapley value (SV) is a well-known concept in explainable artificial intelligence (XAI) research for quantifying additive feature attributions of predictions. The model-specific TreeSHAP methodology solves the exponential complexity for retrieving exact SVs from tree-based models. Expanding beyond individual feature attribution, Shapley interactions reveal the impact of intricate feature interactions of any order. In this work, we present TreeSHAP-IQ, an efficient method to compute any-order additive Shapley interactions for predictions of tree-based models. TreeSHAP-IQ is supported by a mathematical framework that exploits polynomial arithmetic to compute the interaction scores in a single recursive traversal of the tree, akin to Linear TreeSHAP. We apply TreeSHAP-IQ on state-of-the-art tree ensembles and explore interactions on well-established benchmark datasets.