Research Papers

Cancer remains a leading global health challenge and a major cause of mortality. This study leverages machine learning (ML) to predict the survivability of cancer patients with metastatic patterns using the comprehensive MSK-MET dataset, which includes genomic and clinical data from 25,775 patients across 27 cancer types. We evaluated five ML models-XGBoost, Naïve Bayes, Decision Tree, Logistic Regression, and Random Fores using hyperparameter tuning and grid search. XGBoost emerged as the best performer with an area under the curve (AUC) of 0.82. To enhance model interpretability, SHapley Additive exPlanations (SHAP) were applied, revealing key predictors such as metastatic site count, tumor mutation burden, fraction of genome altered, and organ-specific metastases. Further survival analysis using Kaplan-Meier curves, Cox Proportional Hazards models, and XGBoost Survival Analysis identified significant predictors of patient outcomes, offering actionable insights for clinicians. These findings could aid in personalized prognosis and treatment planning, ultimately improving patient care.

Deep learning has been successfully applied to medical image segmentation, enabling accurate identification of regions of interest such as organs and lesions. This approach works effectively across diverse datasets, including those with single-image contrast, multi-contrast, and multimodal imaging data. To improve human understanding of these black-box models, there is a growing need for Explainable AI (XAI) techniques for model transparency and accountability. Previous research has primarily focused on post hoc pixel-level explanations, using methods gradient-based and perturbation-based apporaches. These methods rely on gradients or perturbations to explain model predictions. However, these pixel-level explanations often struggle with the complexity inherent in multi-contrast magnetic resonance imaging (MRI) segmentation tasks, and the sparsely distributed explanations have limited clinical relevance. In this study, we propose using contrast-level Shapley values to explain state-of-the-art models trained on standard metrics used in brain tumor segmentation. Our results demonstrate that Shapley analysis provides valuable insights into different models' behavior used for tumor segmentation. We demonstrated a bias for U-Net towards over-weighing T1-contrast and FLAIR, while Swin-UNETR provided a cross-contrast understanding with balanced Shapley distribution.

Improving Counterfactual Truthfulness for Molecular Property Prediction through Uncertainty Quantification

Jonas Teufel, Annika Leinweber, Pascal Friederich

Explainable AI (xAI) interventions aim to improve interpretability for complex black-box models, not only to improve user trust but also as a means to extract scientific insights from high-performing predictive systems. In molecular property prediction, counterfactual explanations offer a way to understand predictive behavior by highlighting which minimal perturbations in the input molecular structure cause the greatest deviation in the predicted property. However, such explanations only allow for meaningful scientific insights if they reflect the distribution of the true underlying property -- a feature we define as counterfactual truthfulness. To increase this truthfulness, we propose the integration of uncertainty estimation techniques to filter counterfactual candidates with high predicted uncertainty. Through computational experiments with synthetic and real-world datasets, we demonstrate that traditional uncertainty estimation methods, such as ensembles and mean-variance estimation, can already substantially reduce the average prediction error and increase counterfactual truthfulness, especially for out-of-distribution settings. Our results highlight the importance and potential impact of incorporating uncertainty estimation into explainability methods, especially considering the relatively high effectiveness of low-effort interventions like model ensembles.

Given the demand for responsible and trustworthy AI for education, this study evaluates symbolic, sub-symbolic, and neural-symbolic AI (NSAI) in terms of generalizability and interpretability. Our extensive experiments on balanced and imbalanced self-regulated learning datasets of Estonian primary school students predicting 7th-grade mathematics national test performance showed that symbolic and sub-symbolic methods performed well on balanced data but struggled to identify low performers in imbalanced datasets. Interestingly, symbolic and sub-symbolic methods emphasized different factors in their decision-making: symbolic approaches primarily relied on cognitive and motivational factors, while sub-symbolic methods focused more on cognitive aspects, learnt knowledge, and the demographic variable of gender -- yet both largely overlooked metacognitive factors. The NSAI method, on the other hand, showed advantages by: (i) being more generalizable across both classes -- even in imbalanced datasets -- as its symbolic knowledge component compensated for the underrepresented class; and (ii) relying on a more integrated set of factors in its decision-making, including motivation, (meta)cognition, and learnt knowledge, thus offering a comprehensive and theoretically grounded interpretability framework. These contrasting findings highlight the need for a holistic comparison of AI methods before drawing conclusions based solely on predictive performance. They also underscore the potential of hybrid, human-centred NSAI methods to address the limitations of other AI families and move us closer to responsible AI for education. Specifically, by enabling stakeholders to contribute to AI design, NSAI aligns learned patterns with theoretical constructs, incorporates factors like motivation and metacognition, and strengthens the trustworthiness and responsibility of educational data mining.

Immersive Explainability: Visualizing Robot Navigation Decisions through XAI Semantic Scene Projections in Virtual Reality

Jorge de Heuvel, Sebastian Müller, Marlene Wessels +3

End-to-end robot policies achieve high performance through neural networks trained via reinforcement learning (RL). Yet, their black box nature and abstract reasoning pose challenges for human-robot interaction (HRI), because humans may experience difficulty in understanding and predicting the robot's navigation decisions, hindering trust development. We present a virtual reality (VR) interface that visualizes explainable AI (XAI) outputs and the robot's lidar perception to support intuitive interpretation of RL-based navigation behavior. By visually highlighting objects based on their attribution scores, the interface grounds abstract policy explanations in the scene context. This XAI visualization bridges the gap between obscure numerical XAI attribution scores and a human-centric semantic level of explanation. A within-subjects study with 24 participants evaluated the effectiveness of our interface for four visualization conditions combining XAI and lidar. Participants ranked scene objects across navigation scenarios based on their importance to the robot, followed by a questionnaire assessing subjective understanding and predictability. Results show that semantic projection of attributions significantly enhances non-expert users' objective understanding and subjective awareness of robot behavior. In addition, lidar visualization further improves perceived predictability, underscoring the value of integrating XAI and sensor for transparent, trustworthy HRI.

Counterfactual explanations have been successfully applied to create human interpretable explanations for various black-box models. They are handy for tasks in the image domain, where the quality of the explanations benefits from recent advances in generative models. Although counterfactual explanations have been widely applied to classification models, their application to regression tasks remains underexplored. We present two methods to create counterfactual explanations for image regression tasks using diffusion-based generative models to address challenges in sparsity and quality: 1) one based on a Denoising Diffusion Probabilistic Model that operates directly in pixel-space and 2) another based on a Diffusion Autoencoder operating in latent space. Both produce realistic, semantic, and smooth counterfactuals on CelebA-HQ and a synthetic data set, providing easily interpretable insights into the decision-making process of the regression model and reveal spurious correlations. We find that for regression counterfactuals, changes in features depend on the region of the predicted value. Large semantic changes are needed for significant changes in predicted values, making it harder to find sparse counterfactuals than with classifiers. Moreover, pixel space counterfactuals are more sparse while latent space counterfactuals are of higher quality and allow bigger semantic changes.

As artificial intelligence systems increasingly operate in Real-world environments, the integration of multi-modal data sources such as vision, language, and audio presents both unprecedented opportunities and critical challenges for achieving trustworthy intelligence. In this paper, we propose a novel framework that unifies federated learning with explainable multi-modal reasoning to ensure trustworthiness in decentralized, dynamic settings. Our approach, called FedMM-X (Federated Multi-Modal Explainable Intelligence), leverages cross-modal consistency checks, client-level interpretability mechanisms, and dynamic trust calibration to address challenges posed by data heterogeneity, modality imbalance, and out-of-distribution generalization. Through rigorous evaluation across federated multi-modal benchmarks involving vision-language tasks, we demonstrate improved performance in both accuracy and interpretability while reducing vulnerabilities to adversarial and spurious correlations. Further, we introduce a novel trust score aggregation method to quantify global model reliability under dynamic client participation. Our findings pave the way toward developing robust, interpretable, and socially responsible AI systems in Real-world environments.

Concept-based eXplainable AI (C-XAI) aims to overcome the limitations of traditional saliency maps by converting pixels into human-understandable concepts that are consistent across an entire dataset. A crucial aspect of C-XAI is completeness, which measures how well a set of concepts explains a model's decisions. Among C-XAI methods, Multi-Dimensional Concept Discovery (MCD) effectively improves completeness by breaking down the CNN latent space into distinct and interpretable concept subspaces. However, MCD's explanations can be difficult for humans to understand, raising concerns about their practical utility. To address this, we propose Human-Understandable Multi-dimensional Concept Discovery (HU-MCD). HU-MCD uses the Segment Anything Model for concept identification and implements a CNN-specific input masking technique to reduce noise introduced by traditional masking methods. These changes to MCD, paired with the completeness relation, enable HU-MCD to enhance concept understandability while maintaining explanation faithfulness. Our experiments, including human subject studies, show that HU-MCD provides more precise and reliable explanations than existing C-XAI methods. The code is available at https://github.com/grobruegge/hu-mcd.

Mechanistic interpretability improves the safety, reliability, and robustness of large AI models. This study examined individual attention heads in vision transformers (ViTs) fine tuned on distorted 2D spectrogram images containing non relevant content (axis labels, titles, color bars). By introducing extraneous features, the study analyzed how transformer components processed unrelated information, using mechanistic interpretability to debug issues and reveal insights into transformer architectures. Attention maps assessed head contributions across layers. Heads in early layers (1 to 3) showed minimal task impact with ablation increased MSE loss slightly (μ=0.11%, σ=0.09%), indicating focus on less critical low level features. In contrast, deeper heads (e.g., layer 6) caused a threefold higher loss increase (μ=0.34%, σ=0.02%), demonstrating greater task importance. Intermediate layers (6 to 11) exhibited monosemantic behavior, attending exclusively to chirp regions. Some early heads (1 to 4) were monosemantic but non task relevant (e.g. text detectors, edge or corner detectors). Attention maps distinguished monosemantic heads (precise chirp localization) from polysemantic heads (multiple irrelevant regions). These findings revealed functional specialization in ViTs, showing how heads processed relevant vs. extraneous information. By decomposing transformers into interpretable components, this work enhanced model understanding, identified vulnerabilities, and advanced safer, more transparent AI.

Raman spectroscopy is becoming more common for medical diagnostics with deep learning models being increasingly used to leverage its full potential. However, the opaque nature of such models and the sensitivity of medical diagnosis together with regulatory requirements necessitate the need for explainable AI tools. We introduce SpecReX, specifically adapted to explaining Raman spectra. SpecReX uses the theory of actual causality to rank causal responsibility in a spectrum, quantified by iteratively refining mutated versions of the spectrum and testing if it retains the original classification. The explanations provided by SpecReX take the form of a responsibility map, highlighting spectral regions most responsible for the model to make a correct classification. To assess the validity of SpecReX, we create increasingly complex simulated spectra, in which a "ground truth" signal is seeded, to train a classifier. We then obtain SpecReX explanations and compare the results with another explainability tool. By using simulated spectra we establish that SpecReX localizes to the known differences between classes, under a number of conditions. This provides a foundation on which we can find the spectral features which differentiate disease classes. This is an important first step in proving the validity of SpecReX.

The synergy between virtual reality (VR) and artificial intelligence (AI), specifically deep learning (DL)-based cybersickness detection models, has ushered in unprecedented advancements in immersive experiences by automatically detecting cybersickness severity and adaptively various mitigation techniques, offering a smooth and comfortable VR experience. While this DL-enabled cybersickness detection method provides promising solutions for enhancing user experiences, it also introduces new risks since these models are vulnerable to adversarial attacks; a small perturbation of the input data that is visually undetectable to human observers can fool the cybersickness detection model and trigger unexpected mitigation, thus disrupting user immersive experiences (UIX) and even posing safety risks. In this paper, we present a new type of VR attack, i.e., a cybersickness attack, which successfully stops the triggering of cybersickness mitigation by fooling DL-based cybersickness detection models and dramatically hinders the UIX. Next, we propose a novel explainable artificial intelligence (XAI)-guided cybersickness attack detection framework to detect such attacks in VR to ensure UIX and a comfortable VR experience. We evaluate the proposed attack and the detection framework using two state-of-the-art open-source VR cybersickness datasets: Simulation 2021 and Gameplay dataset. Finally, to verify the effectiveness of our proposed method, we implement the attack and the XAI-based detection using a testbed with a custom-built VR roller coaster simulation with an HTC Vive Pro Eye headset and perform a user study. Our study shows that such an attack can dramatically hinder the UIX. However, our proposed XAI-guided cybersickness attack detection can successfully detect cybersickness attacks and trigger the proper mitigation, effectively reducing VR cybersickness.

This paper examines the intricate interplay among AI safety, security, and governance by integrating technical systems engineering with principles of moral imagination and ethical philosophy. Drawing on foundational insights from Weapons of Math Destruction and Thinking in Systems alongside contemporary debates in AI ethics, we develop a comprehensive multi-dimensional framework designed to regulate AI technologies deployed in high-stakes domains such as defense, finance, healthcare, and education. Our approach combines rigorous technical analysis, quantitative risk assessment, and normative evaluation to expose systemic vulnerabilities inherent in opaque, black-box models. Detailed case studies, including analyses of Microsoft Tay (2016) and the UK A-Level Grading Algorithm (2020), demonstrate how security lapses, bias amplification, and lack of accountability can precipitate cascading failures that undermine public trust. We conclude by outlining targeted strategies for enhancing AI resilience through adaptive regulatory mechanisms, robust security protocols, and interdisciplinary oversight, thereby advancing the state of the art in ethical and technical AI governance.