Research Papers

Methods of artificial intelligence (AI) and especially machine learning (ML) have been growing ever more complex, and at the same time have more and more impact on people's lives. This leads to explainable AI (XAI) manifesting itself as an important research field that helps humans to better comprehend ML systems. In parallel, quantum machine learning (QML) is emerging with the ongoing improvement of quantum computing hardware combined with its increasing availability via cloud services. QML enables quantum-enhanced ML in which quantum mechanics is exploited to facilitate ML tasks, typically in the form of quantum-classical hybrid algorithms that combine quantum and classical resources. Quantum gates constitute the building blocks of gate-based quantum hardware and form circuits that can be used for quantum computations. For QML applications, quantum circuits are typically parameterized and their parameters are optimized classically such that a suitably defined objective function is minimized. Inspired by XAI, we raise the question of the explainability of such circuits by quantifying the importance of (groups of) gates for specific goals. To this end, we apply the well-established concept of Shapley values. The resulting attributions can be interpreted as explanations for why a specific circuit works well for a given task, improving the understanding of how to construct parameterized (or variational) quantum circuits, and fostering their human interpretability in general. An experimental evaluation on simulators and two superconducting quantum hardware devices demonstrates the benefits of the proposed framework for classification, generative modeling, transpilation, and optimization. Furthermore, our results shed some light on the role of specific gates in popular QML approaches.

We consider two fundamental and related issues currently faced by Artificial Intelligence (AI) development: the lack of ethics and interpretability of AI decisions. Can interpretable AI decisions help to address ethics in AI? Using a randomized study, we experimentally show that the empirical and liberal turn of the production of explanations tends to select AI explanations with a low denunciatory power. Under certain conditions, interpretability tools are therefore not means but, paradoxically, obstacles to the production of ethical AI since they can give the illusion of being sensitive to ethical incidents. We also show that the denunciatory power of AI explanations is highly dependent on the context in which the explanation takes place, such as the gender or education level of the person to whom the explication is intended for. AI ethics tools are therefore sometimes too flexible and self-regulation through the liberal production of explanations do not seem to be enough to address ethical issues. We then propose two scenarios for the future development of ethical AI: more external regulation or more liberalization of AI explanations. These two opposite paths will play a major role on the future development of ethical AI.

Pneumonia is a lung infection that causes 15% of childhood mortality, over 800,000 children under five every year, all over the world. This pathology is mainly caused by viruses or bacteria. X-rays imaging analysis is one of the most used methods for pneumonia diagnosis. These clinical images can be analyzed using machine learning methods such as convolutional neural networks (CNN), which learn to extract critical features for the classification. However, the usability of these systems is limited in medicine due to the lack of interpretability, because of these models cannot be used to generate an understandable explanation (from a human-based perspective), about how they have reached those results. Another problem that difficults the impact of this technology is the limited amount of labeled data in many medicine domains. The main contributions of this work are two fold: the first one is the design of a new explainable artificial intelligence (XAI) technique based on combining the individual heatmaps obtained from each model in the ensemble. This allows to overcome the explainability and interpretability problems of the CNN "black boxes", highlighting those areas of the image which are more relevant to generate the classification. The second one is the development of new ensemble deep learning models to classify chest X-rays that allow highly competitive results using small datasets for training. We tested our ensemble model using a small dataset of pediatric X-rays (950 samples) with low quality and anatomical variability (which represents one of the biggest challenges). We also tested other strategies such as single CNNs trained from scratch and transfer learning using CheXNet. Our results show that our ensemble model outperforms these strategies obtaining highly competitive results. Finally, we confirmed the robustness of our approach using another pneumonia diagnosis dataset [1].

A multi-component framework for the analysis and design of explainable artificial intelligence

S. Atakishiyev, H. Babiker, N. Farruque +6

The rapid growth of research in explainable artificial intelligence (XAI) follows on two substantial developments. First, the enormous application success of modern machine learning methods, especially deep and reinforcement learning, which have created high expectations for industrial, commercial and social value. Second, the emergence of concern for creating trusted AI systems, including the creation of regulatory principles to ensure transparency and trust of AI systems.These two threads have created a kind of "perfect storm" of research activity, all eager to create and deliver it any set of tools and techniques to address the XAI demand. As some surveys of current XAI suggest, there is yet to appear a principled framework that respects the literature of explainability in the history of science, and which provides a basis for the development of a framework for transparent XAI. Here we intend to provide a strategic inventory of XAI requirements, demonstrate their connection to a history of XAI ideas, and synthesize those ideas into a simple framework to calibrate five successive levels of XAI.

Sophisticated phishing attacks have emerged as a major cybersecurity threat, becoming more common and difficult to prevent. Though machine learning techniques have shown promise in detecting phishing attacks, they function mainly as "black boxes" without revealing their decision-making rationale. This lack of transparency erodes the trust of users and diminishes their effective threat response. We present EXPLICATE: a framework that enhances phishing detection through a three-component architecture: an ML-based classifier using domain-specific features, a dual-explanation layer combining LIME and SHAP for complementary feature-level insights, and an LLM enhancement using DeepSeek v3 to translate technical explanations into accessible natural language. Our experiments show that EXPLICATE attains 98.4 % accuracy on all metrics, which is on par with existing deep learning techniques but has better explainability. High-quality explanations are generated by the framework with an accuracy of 94.2 % as well as a consistency of 96.8\% between the LLM output and model prediction. We create EXPLICATE as a fully usable GUI application and a light Chrome extension, showing its applicability in many deployment situations. The research shows that high detection performance can go hand-in-hand with meaningful explainability in security applications. Most important, it addresses the critical divide between automated AI and user trust in phishing detection systems.

Symbolic Knowledge Extraction and Injection with Sub-symbolic Predictors: A Systematic Literature Review

Giovanni Ciatto, Federico Sabbatini, Andrea Agiollo +2

In this paper we focus on the opacity issue of sub-symbolic machine learning predictors by promoting two complementary activities, namely, symbolic knowledge extraction (SKE) and injection (SKI) from and into sub-symbolic predictors. We consider as symbolic any language being intelligible and interpretable for both humans and computers. Accordingly, we propose general meta-models for both SKE and SKI, along with two taxonomies for the classification of SKE and SKI methods. By adopting an explainable artificial intelligence (XAI) perspective, we highlight how such methods can be exploited to mitigate the aforementioned opacity issue. Our taxonomies are attained by surveying and classifying existing methods from the literature, following a systematic approach, and by generalising the results of previous surveys targeting specific sub-topics of either SKE or SKI alone. More precisely, we analyse 132 methods for SKE and 117 methods for SKI, and we categorise them according to their purpose, operation, expected input/output data and predictor types. For each method, we also indicate the presence/lack of runnable software implementations. Our work may be of interest for data scientists aiming at selecting the most adequate SKE/SKI method for their needs, and also work as suggestions for researchers interested in filling the gaps of the current state of the art, as well as for developers willing to implement SKE/SKI-based technologies.

Recent advances in the SISSO method and their implementation in the SISSO++ code

Thomas A. R. Purcell, Matthias Scheffler, Luca M. Ghiringhelli

Accurate and explainable artificial-intelligence (AI) models are promising tools for the acceleration of the discovery of new materials, ore new applications for existing materials. Recently, symbolic regression has become an increasingly popular tool for explainable AI because it yields models that are relatively simple analytical descriptions of target properties. Due to its deterministic nature, the sure-independence screening and sparsifying operator (SISSO) method is a particularly promising approach for this application. Here we describe the new advancements of the SISSO algorithm, as implemented into SISSO++, a C++ code with Python bindings. We introduce a new representation of the mathematical expressions found by SISSO. This is a first step towards introducing ``grammar'' rules into the feature creation step. Importantly, by introducing a controlled non-linear optimization to the feature creation step we expand the range of possible descriptors found by the methodology. Finally, we introduce refinements to the solver algorithms for both regression and classification, that drastically increase the reliability and efficiency of SISSO. For all of these improvements to the basic SISSO algorithm, we not only illustrate their potential impact, but also fully detail how they operate both mathematically and computationally.

Analyzing vibration data using deep neural network algorithms is an effective way to detect damages in rotating machinery at an early stage. However, the black-box approach of these methods often does not provide a satisfactory solution because the cause of classifications is not comprehensible to humans. Therefore, this work investigates the application of explainable AI (XAI) algorithms to convolutional neural networks for vibration-based condition monitoring. For this, various XAI algorithms are applied to classifications based on the Fourier transform as well as the order analysis of the vibration signal. The results are visualized as a function of the revolutions per minute (RPM), in the shape of frequency-RPM maps and order-RPM maps. This allows to assess the saliency given to features which depend on the rotation speed and those with constant frequency. To compare the explanatory power of the XAI methods, investigations are first carried out with a synthetic data set with known class-specific characteristics. Then a real-world data set for vibration-based imbalance classification on an electric motor, which runs at a broad range of rotation speeds, is used. A special focus is put on the consistency for variable periodicity of the data, which translates to a varying rotation speed of a real-world machine. This work aims to show the different strengths and weaknesses of the methods for this use case: GradCAM, LRP and LIME with a new perturbation strategy.

Artificial intelligence (AI) is gaining momentum, and its importance for the future of work in many areas, such as medicine and banking, is continuously rising. However, insights on the effective collaboration of humans and AI are still rare. Typically, AI supports humans in decision-making by addressing human limitations. However, it may also evoke human bias, especially in the form of automation bias as an over-reliance on AI advice. We aim to shed light on the potential to influence automation bias by explainable AI (XAI). In this pre-test, we derive a research model and describe our study design. Subsequentially, we conduct an online experiment with regard to hotel review classifications and discuss first results. We expect our research to contribute to the design and development of safe hybrid intelligence systems.

Many ML models are opaque to humans, producing decisions too complex for humans to easily understand. In response, explainable artificial intelligence (XAI) tools that analyze the inner workings of a model have been created. Despite these tools' strength in translating model behavior, critiques have raised concerns about the impact of XAI tools as a tool for `fairwashing` by misleading users into trusting biased or incorrect models. In this paper, we created a framework for evaluating explainable AI tools with respect to their capabilities for detecting and addressing issues of bias and fairness as well as their capacity to communicate these results to their users clearly. We found that despite their capabilities in simplifying and explaining model behavior, many prominent XAI tools lack features that could be critical in detecting bias. Developers can use our framework to suggest modifications needed in their toolkits to reduce issues likes fairwashing.

Electricity prices in liberalized markets are determined by the supply and demand for electric power, which are in turn driven by various external influences that vary strongly in time. In perfect competition, the merit order principle describes that dispatchable power plants enter the market in the order of their marginal costs to meet the residual load, i.e. the difference of load and renewable generation. Many market models implement this principle to predict electricity prices but typically require certain assumptions and simplifications. In this article, we present an explainable machine learning model for the prices on the German day-ahead market, which substantially outperforms a benchmark model based on the merit order principle. Our model is designed for the ex-post analysis of prices and thus builds on various external features. Using Shapley Additive exPlanation (SHAP) values, we can disentangle the role of the different features and quantify their importance from empiric data. Load, wind and solar generation are most important, as expected, but wind power appears to affect prices stronger than solar power does. Fuel prices also rank highly and show nontrivial dependencies, including strong interactions with other features revealed by a SHAP interaction analysis. Large generation ramps are correlated with high prices, again with strong feature interactions, due to the limited flexibility of nuclear and lignite plants. Our results further contribute to model development by providing quantitative insights directly from data.

ferret: a Framework for Benchmarking Explainers on Transformers

Giuseppe Attanasio, Eliana Pastor, Chiara Di Bonaventura +1

As Transformers are increasingly relied upon to solve complex NLP problems, there is an increased need for their decisions to be humanly interpretable. While several explainable AI (XAI) techniques for interpreting the outputs of transformer-based models have been proposed, there is still a lack of easy access to using and comparing them. We introduce ferret, a Python library to simplify the use and comparisons of XAI methods on transformer-based classifiers. With ferret, users can visualize and compare transformers-based models output explanations using state-of-the-art XAI methods on any free-text or existing XAI corpora. Moreover, users can also evaluate ad-hoc XAI metrics to select the most faithful and plausible explanations. To align with the recently consolidated process of sharing and using transformers-based models from Hugging Face, ferret interfaces directly with its Python library. In this paper, we showcase ferret to benchmark XAI methods used on transformers for sentiment analysis and hate speech detection. We show how specific methods provide consistently better explanations and are preferable in the context of transformer models.