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ApisTox: a new benchmark dataset for the classification of small molecules toxicity on honey bees

arXiv.org Artificial Intelligence

The global decline in bee populations poses significant risks to agriculture, biodiversity, and environmental stability. To bridge the gap in existing data, we introduce ApisTox, a comprehensive dataset focusing on the toxicity of pesticides to honey bees (Apis mellifera). This dataset combines and leverages data from existing sources such as ECOTOX and PPDB, providing an extensive, consistent, and curated collection that surpasses the previous datasets. ApisTox incorporates a wide array of data, including toxicity levels for chemicals, details such as time of their publication in literature, and identifiers linking them to external chemical databases. This dataset may serve as an important tool for environmental and agricultural research, but also can support the development of policies and practices aimed at minimizing harm to bee populations. Finally, ApisTox offers a unique resource for benchmarking molecular property prediction methods on agrochemical compounds, facilitating advancements in both environmental science and cheminformatics. This makes it a valuable tool for both academic research and practical applications in bee conservation.


Revisiting Out-of-Distribution Detection in LiDAR-based 3D Object Detection

arXiv.org Artificial Intelligence

LiDAR-based 3D object detection has become an essential part of automated driving due to its ability to localize and classify objects precisely in 3D. However, object detectors face a critical challenge when dealing with unknown foreground objects, particularly those that were not present in their original training data. These out-of-distribution (OOD) objects can lead to misclassifications, posing a significant risk to the safety and reliability of automated vehicles. Currently, LiDAR-based OOD object detection has not been well studied. We address this problem by generating synthetic training data for OOD objects by perturbing known object categories. Our idea is that these synthetic OOD objects produce different responses in the feature map of an object detector compared to in-distribution (ID) objects. We then extract features using a pre-trained and fixed object detector and train a simple multilayer perceptron (MLP) to classify each detection as either ID or OOD. In addition, we propose a new evaluation protocol that allows the use of existing datasets without modifying the point cloud, ensuring a more authentic evaluation of real-world scenarios. The effectiveness of our method is validated through experiments on the newly proposed nuScenes OOD benchmark. The source code is available at https://github.com/uulm-mrm/mmood3d.


Accelerating Cavity Fault Prediction Using Deep Learning at Jefferson Laboratory

arXiv.org Artificial Intelligence

Accelerating cavities are an integral part of the Continuous Electron Beam Accelerator Facility (CEBAF) at Jefferson Laboratory. When any of the over 400 cavities in CEBAF experiences a fault, it disrupts beam delivery to experimental user halls. In this study, we propose the use of a deep learning model to predict slowly developing cavity faults. By utilizing pre-fault signals, we train a LSTM-CNN binary classifier to distinguish between radio-frequency (RF) signals during normal operation and RF signals indicative of impending faults. We optimize the model by adjusting the fault confidence threshold and implementing a multiple consecutive window criterion to identify fault events, ensuring a low false positive rate. Results obtained from analysis of a real dataset collected from the accelerating cavities simulating a deployed scenario demonstrate the model's ability to identify normal signals with 99.99% accuracy and correctly predict 80% of slowly developing faults. Notably, these achievements were achieved in the context of a highly imbalanced dataset, and fault predictions were made several hundred milliseconds before the onset of the fault. Anticipating faults enables preemptive measures to improve operational efficiency by preventing or mitigating their occurrence.


SynthEval: A Framework for Detailed Utility and Privacy Evaluation of Tabular Synthetic Data

arXiv.org Artificial Intelligence

With the growing demand for synthetic data to address contemporary issues in machine learning, such as data scarcity, data fairness, and data privacy, having robust tools for assessing the utility and potential privacy risks of such data becomes crucial. SynthEval, a novel open-source evaluation framework distinguishes itself from existing tools by treating categorical and numerical attributes with equal care, without assuming any special kind of preprocessing steps. This~makes it applicable to virtually any synthetic dataset of tabular records. Our tool leverages statistical and machine learning techniques to comprehensively evaluate synthetic data fidelity and privacy-preserving integrity. SynthEval integrates a wide selection of metrics that can be used independently or in highly customisable benchmark configurations, and can easily be extended with additional metrics. In this paper, we describe SynthEval and illustrate its versatility with examples. The framework facilitates better benchmarking and more consistent comparisons of model capabilities.


Mammo-CLIP: Leveraging Contrastive Language-Image Pre-training (CLIP) for Enhanced Breast Cancer Diagnosis with Multi-view Mammography

arXiv.org Artificial Intelligence

Although fusion of information from multiple views of mammograms plays an important role to increase accuracy of breast cancer detection, developing multi-view mammograms-based computer-aided diagnosis (CAD) schemes still faces challenges and no such CAD schemes have been used in clinical practice. To overcome the challenges, we investigate a new approach based on Contrastive Language-Image Pre-training (CLIP), which has sparked interest across various medical imaging tasks. By solving the challenges in (1) effectively adapting the single-view CLIP for multi-view feature fusion and (2) efficiently fine-tuning this parameter-dense model with limited samples and computational resources, we introduce Mammo-CLIP, the first multi-modal framework to process multi-view mammograms and corresponding simple texts. Mammo-CLIP uses an early feature fusion strategy to learn multi-view relationships in four mammograms acquired from the CC and MLO views of the left and right breasts. To enhance learning efficiency, plug-and-play adapters are added into CLIP image and text encoders for fine-tuning parameters and limiting updates to about 1% of the parameters. For framework evaluation, we assembled two datasets retrospectively. The first dataset, comprising 470 malignant and 479 benign cases, was used for few-shot fine-tuning and internal evaluation of the proposed Mammo-CLIP via 5-fold cross-validation. The second dataset, including 60 malignant and 294 benign cases, was used to test generalizability of Mammo-CLIP. Study results show that Mammo-CLIP outperforms the state-of-art cross-view transformer in AUC (0.841 vs. 0.817, 0.837 vs. 0.807) on both datasets. It also surpasses previous two CLIP-based methods by 20.3% and 14.3%. This study highlights the potential of applying the finetuned vision-language models for developing next-generation, image-text-based CAD schemes of breast cancer.


Explainable AI models for predicting liquefaction-induced lateral spreading

arXiv.org Artificial Intelligence

Earthquake-induced liquefaction can cause substantial lateral spreading, posing threats to infrastructure. Machine learning (ML) can improve lateral spreading prediction models by capturing complex soil characteristics and site conditions. However, the "black box" nature of ML models can hinder their adoption in critical decision-making. This study addresses this limitation by using SHapley Additive exPlanations (SHAP) to interpret an eXtreme Gradient Boosting (XGB) model for lateral spreading prediction, trained on data from the 2011 Christchurch Earthquake. SHAP analysis reveals the factors driving the model's predictions, enhancing transparency and allowing for comparison with established engineering knowledge. The results demonstrate that the XGB model successfully identifies the importance of soil characteristics derived from Cone Penetration Test (CPT) data in predicting lateral spreading, validating its alignment with domain understanding. This work highlights the value of explainable machine learning for reliable and informed decision-making in geotechnical engineering and hazard assessment.


Debiasing Machine Unlearning with Counterfactual Examples

arXiv.org Machine Learning

The right to be forgotten (RTBF) seeks to safeguard individuals from the enduring effects of their historical actions by implementing machine-learning techniques. These techniques facilitate the deletion of previously acquired knowledge without requiring extensive model retraining. However, they often overlook a critical issue: unlearning processes bias. This bias emerges from two main sources: (1) data-level bias, characterized by uneven data removal, and (2) algorithm-level bias, which leads to the contamination of the remaining dataset, thereby degrading model accuracy. In this work, we analyze the causal factors behind the unlearning process and mitigate biases at both data and algorithmic levels. Typically, we introduce an intervention-based approach, where knowledge to forget is erased with a debiased dataset. Besides, we guide the forgetting procedure by leveraging counterfactual examples, as they maintain semantic data consistency without hurting performance on the remaining dataset. Experimental results demonstrate that our method outperforms existing machine unlearning baselines on evaluation metrics.


Anomaly Detection for Incident Response at Scale

arXiv.org Artificial Intelligence

We present a machine learning-based anomaly detection product, AI Detect and Respond (AIDR), that monitors Walmart's business and system health in real-time. During the validation over 3 months, the product served predictions from over 3000 models to more than 25 application, platform, and operation teams, covering 63\% of major incidents and reducing the mean-time-to-detect (MTTD) by more than 7 minutes. Unlike previous anomaly detection methods, our solution leverages statistical, ML and deep learning models while continuing to incorporate rule-based static thresholds to incorporate domain-specific knowledge. Both univariate and multivariate ML models are deployed and maintained through distributed services for scalability and high availability. AIDR has a feedback loop that assesses model quality with a combination of drift detection algorithms and customer feedback. It also offers self-onboarding capabilities and customizability. AIDR has achieved success with various internal teams with lower time to detection and fewer false positives than previous methods. As we move forward, we aim to expand incident coverage and prevention, reduce noise, and integrate further with root cause recommendation (RCR) to enable an end-to-end AIDR experience.


Sum of Group Error Differences: A Critical Examination of Bias Evaluation in Biometric Verification and a Dual-Metric Measure

arXiv.org Artificial Intelligence

Biometric Verification (BV) systems often exhibit accuracy disparities across different demographic groups, leading to biases in BV applications. Assessing and quantifying these biases is essential for ensuring the fairness of BV systems. However, existing bias evaluation metrics in BV have limitations, such as focusing exclusively on match or non-match error rates, overlooking bias on demographic groups with performance levels falling between the best and worst performance levels, and neglecting the magnitude of the bias present. This paper presents an in-depth analysis of the limitations of current bias evaluation metrics in BV and, through experimental analysis, demonstrates their contextual suitability, merits, and limitations. Additionally, it introduces a novel general-purpose bias evaluation measure for BV, the ``Sum of Group Error Differences (SEDG)''. Our experimental results on controlled synthetic datasets demonstrate the effectiveness of demographic bias quantification when using existing metrics and our own proposed measure. We discuss the applicability of the bias evaluation metrics in a set of simulated demographic bias scenarios and provide scenario-based metric recommendations. Our code is publicly available under \url{https://github.com/alaaobeid/SEDG}.


Empowering Interdisciplinary Research with BERT-Based Models: An Approach Through SciBERT-CNN with Topic Modeling

arXiv.org Artificial Intelligence

Researchers must stay current in their fields by regularly reviewing academic literature, a task complicated by the daily publication of thousands of papers. Traditional multi-label text classification methods often ignore semantic relationships and fail to address the inherent class imbalances. This paper introduces a novel approach using the SciBERT model and CNNs to systematically categorize academic abstracts from the Elsevier OA CC-BY corpus. We use a multi-segment input strategy that processes abstracts, body text, titles, and keywords obtained via BERT topic modeling through SciBERT. Here, the [CLS] token embeddings capture the contextual representation of each segment, concatenated and processed through a CNN. The CNN uses convolution and pooling to enhance feature extraction and reduce dimensionality, optimizing the data for classification. Additionally, we incorporate class weights based on label frequency to address the class imbalance, significantly improving the classification F1 score and enhancing text classification systems and literature review efficiency.