Uncertainty quantification (UQ) to detect samples with large expected errors (outliers) is applied to reactive molecular potential energy surfaces (PESs). Three methods - Ensembles, Deep Evidential Regression (DER), and Gaussian Mixture Models (GMM) - were applied to the H-transfer reaction between ${\it syn-}$Criegee and vinyl hydroxyperoxide. The results indicate that ensemble models provide the best results for detecting outliers, followed by GMM. For example, from a pool of 1000 structures with the largest uncertainty, the detection quality for outliers is $\sim 90$ \% and $\sim 50$ \%, respectively, if 25 or 1000 structures with large errors are sought. On the contrary, the limitations of the statistical assumptions of DER greatly impacted its prediction capabilities. Finally, a structure-based indicator was found to be correlated with large average error, which may help to rapidly classify new structures into those that provide an advantage for refining the neural network.

Post-hoc out-of-distribution (OOD) detection has garnered intensive attention in reliable machine learning. Many efforts have been dedicated to deriving score functions based on logits, distances, or rigorous data distribution assumptions to identify low-scoring OOD samples. Nevertheless, these estimate scores may fail to accurately reflect the true data density or impose impractical constraints. To provide a unified perspective on density-based score design, we propose a novel theoretical framework grounded in Bregman divergence, which extends distribution considerations to encompass an exponential family of distributions. Leveraging the conjugation constraint revealed in our theorem, we introduce a \textsc{ConjNorm} method, reframing density function design as a search for the optimal norm coefficient $p$ against the given dataset. In light of the computational challenges of normalization, we devise an unbiased and analytically tractable estimator of the partition function using the Monte Carlo-based importance sampling technique. Extensive experiments across OOD detection benchmarks empirically demonstrate that our proposed \textsc{ConjNorm} has established a new state-of-the-art in a variety of OOD detection setups, outperforming the current best method by up to 13.25$\%$ and 28.19$\%$ (FPR95) on CIFAR-100 and ImageNet-1K, respectively.

Although effective deepfake detection models have been developed in recent years, recent studies have revealed that these models can result in unfair performance disparities among demographic groups, such as race and gender. This can lead to particular groups facing unfair targeting or exclusion from detection, potentially allowing misclassified deepfakes to manipulate public opinion and undermine trust in the model. The existing method for addressing this problem is providing a fair loss function. It shows good fairness performance for intra-domain evaluation but does not maintain fairness for cross-domain testing. This highlights the significance of fairness generalization in the fight against deepfakes. In this work, we propose the first method to address the fairness generalization problem in deepfake detection by simultaneously considering features, loss, and optimization aspects. Our method employs disentanglement learning to extract demographic and domain-agnostic forgery features, fusing them to encourage fair learning across a flattened loss landscape. Extensive experiments on prominent deepfake datasets demonstrate our method's effectiveness, surpassing state-of-the-art approaches in preserving fairness during cross-domain deepfake detection. The code is available at https://github.com/Purdue-M2/Fairness-Generalization

In this study, we introduce AmbigNLG, a new task designed to tackle the challenge of task ambiguity in instructions for Natural Language Generation (NLG) tasks. Despite the impressive capabilities of Large Language Models (LLMs) in understanding and executing a wide range of tasks through natural language interaction, their performance is significantly hindered by the ambiguity present in real-world instructions. To address this, AmbigNLG seeks to identify and mitigate such ambiguities, aiming to refine instructions to match user expectations better. We introduce a dataset, AmbigSNI-NLG, consisting of 2,500 instances, and develop an ambiguity taxonomy for categorizing and annotating instruction ambiguities. Our approach demonstrates substantial improvements in text generation quality, highlighting the critical role of clear and specific instructions in enhancing LLM performance in NLG tasks.

Knowing when a trained segmentation model is encountering data that is different to its training data is important. Understanding and mitigating the effects of this play an important part in their application from a performance and assurance perspective - this being a safety concern in applications such as autonomous vehicles (AVs). This work presents a segmentation network that can detect errors caused by challenging test domains without any additional annotation in a single forward pass. As annotation costs limit the diversity of labelled datasets, we use easy-to-obtain, uncurated and unlabelled data to learn to perform uncertainty estimation by selectively enforcing consistency over data augmentation. To this end, a novel segmentation benchmark based on the SAX Dataset is used, which includes labelled test data spanning three autonomous-driving domains, ranging in appearance from dense urban to off-road. The proposed method, named Gamma-SSL, consistently outperforms uncertainty estimation and Out-of-Distribution (OoD) techniques on this difficult benchmark - by up to 10.7% in area under the receiver operating characteristic (ROC) curve and 19.2% in area under the precision-recall (PR) curve in the most challenging of the three scenarios.

Retinal images and vasculature reflect the body's micro-and macrovascular health. They can be used to diagnose DM complications, including diabetic retinopathy (DR), neuropathy, nephropathy, and atherosclerotic cardiovascular disease, as well as forecast the risk of cardiovascular events. Artificial intelligence (AI)-enabled systems developed for high-throughput detection of DR using digitized retinal images have become clinically adopted. Beyond DR screening, AI integration also holds immense potential to address challenges associated with the holistic care of the patient with DM. In this work, we aim to comprehensively review the literature for studies on AI applications based on retinal images related to DM diagnosis, prognostication, and management. We will describe the findings of holistic AI-assisted diabetes care, including but not limited to DR screening, and discuss barriers to implementing such systems, including issues concerning ethics, data privacy, equitable access, and explainability. With the ability to evaluate the patient's health status vis a vis DM complication as well as risk prognostication of future cardiovascular complications, AIassisted retinal image analysis has the potential to become a central tool for modern personalized medicine in patients with DM.

Swear words are a common proxy to collect datasets with cyberbullying incidents. Our focus is on measuring and mitigating biases derived from spurious associations between swear words and incidents occurring as a result of such data collection strategies. After demonstrating and quantifying these biases, we introduce ID-XCB, the first data-independent debiasing technique that combines adversarial training, bias constraints and debias fine-tuning approach aimed at alleviating model attention to bias-inducing words without impacting overall model performance. We explore ID-XCB on two popular session-based cyberbullying datasets along with comprehensive ablation and generalisation studies. We show that ID-XCB learns robust cyberbullying detection capabilities while mitigating biases, outperforming state-of-the-art debiasing methods in both performance and bias mitigation. Our quantitative and qualitative analyses demonstrate its generalisability to unseen data.

This paper proposes an innovative Attention-GAN framework for enhancing cybersecurity, focusing on anomaly detection. In response to the challenges posed by the constantly evolving nature of cyber threats, the proposed approach aims to generate diverse and realistic synthetic attack scenarios, thereby enriching the dataset and improving threat identification. Integrating attention mechanisms with Generative Adversarial Networks (GANs) is a key feature of the proposed method. The attention mechanism enhances the model's ability to focus on relevant features, essential for detecting subtle and complex attack patterns. In addition, GANs address the issue of data scarcity by generating additional varied attack data, encompassing known and emerging threats. This dual approach ensures that the system remains relevant and effective against the continuously evolving cyberattacks. The KDD Cup and CICIDS2017 datasets were used to validate this model, which exhibited significant improvements in anomaly detection. It achieved an accuracy of 99.69% on the KDD dataset and 97.93% on the CICIDS2017 dataset, with precision, recall, and F1-scores above 97%, demonstrating its effectiveness in recognizing complex attack patterns. This study contributes significantly to cybersecurity by providing a scalable and adaptable solution for anomaly detection in the face of sophisticated and dynamic cyber threats. The exploration of GANs for data augmentation highlights a promising direction for future research, particularly in situations where data limitations restrict the development of cybersecurity systems. The attention-GAN framework has emerged as a pioneering approach, setting a new benchmark for advanced cyber-defense strategies.

Trapped human detection in search and rescue (SAR) scenarios poses a significant challenge in pervasive computing. This study addresses this issue by leveraging machine learning techniques, given their high accuracy. However, accurate identification of trapped individuals is hindered by the curse of dimensionality and noisy data. Particularly in non-line-of-sight (NLOS) situations during catastrophic events, the curse of dimensionality may lead to blind spots due to noise and uncorrelated values in detections. This research focuses on harmonizing information through wireless communication and identifying individuals in NLOS scenarios using ultra-wideband (UWB) radar signals. Employing independent component analysis (ICA) for feature extraction, the study evaluates classification performance using ensemble algorithms on both static and dynamic datasets. The experimental results demonstrate categorization accuracies of 88.37% for static data and 87.20% for dynamic data, highlighting the effectiveness of the proposed approach. Finally, this work can help scientists and engineers make instant decisions during SAR operations.

Abstract-- Surface treatment tasks such as grinding, sanding or polishing are a vital step of the value chain in many industries, but are notoriously challenging to automate. We present RoboGrind, an integrated system for the intuitive, interactive automation of surface treatment tasks with industrial robots. It combines a sophisticated 3D perception pipeline for surface scanning and automatic defect identification, an interactive voice-controlled wizard system for the AI-assisted bootstrapping and parameterization of robot programs, and an automatic planning and execution pipeline for force-controlled robotic surface treatment. RoboGrind is evaluated both under laboratory and real-world conditions in the context of refabricating fiberglass wind turbine blades. Figure 1: RoboGrind is an intuitive, interactive system for In a wide range of industries such as aerospace, consumer robotic surface treatment comprising perception, program goods manufacturing, or the energy sector, surface treatment generation, planning and control.