Quantum Machine Learning (QML) continues to evolve, unlocking new opportunities for diverse applications. In this study, we investigate and evaluate the applicability of QML models for binary classification of genome sequence data by employing various feature mapping techniques. We present an open-source, independent Qiskit-based implementation to conduct experiments on a benchmark genomic dataset. Our simulations reveal that the interplay between feature mapping techniques and QML algorithms significantly influences performance. Notably, the Pegasos Quantum Support Vector Classifier (Pegasos-QSVC) exhibits high sensitivity, particularly excelling in recall metrics, while Quantum Neural Networks (QNN) achieve the highest training accuracy across all feature maps. However, the pronounced variability in classifier performance, dependent on feature mapping, highlights the risk of overfitting to localized output distributions in certain scenarios. This work underscores the transformative potential of QML for genomic data classification while emphasizing the need for continued advancements to enhance the robustness and accuracy of these methodologies.

Source code authorship attribution is important in software forensics, plagiarism detection, and protecting software patch integrity. Existing techniques often rely on supervised machine learning, which struggles with generalization across different programming languages and coding styles due to the need for large labeled datasets. Inspired by recent advances in natural language authorship analysis using large language models (LLMs), which have shown exceptional performance without task-specific tuning, this paper explores the use of LLMs for source code authorship attribution. We present a comprehensive study demonstrating that state-of-the-art LLMs can successfully attribute source code authorship across different languages. LLMs can determine whether two code snippets are written by the same author with zero-shot prompting, achieving a Matthews Correlation Coefficient (MCC) of 0.78, and can attribute code authorship from a small set of reference code snippets via few-shot learning, achieving MCC of 0.77. Additionally, LLMs show some adversarial robustness against misattribution attacks. Despite these capabilities, we found that naive prompting of LLMs does not scale well with a large number of authors due to input token limitations. To address this, we propose a tournament-style approach for large-scale attribution. Evaluating this approach on datasets of C++ (500 authors, 26,355 samples) and Java (686 authors, 55,267 samples) code from GitHub, we achieve classification accuracy of up to 65% for C++ and 68.7% for Java using only one reference per author. These results open new possibilities for applying LLMs to code authorship attribution in cybersecurity and software engineering.

Algorithmic decision-making has become deeply ingrained in many domains, yet biases in machine learning models can still produce discriminatory outcomes, often harming unprivileged groups. Achieving fair classification is inherently challenging, requiring a careful balance between predictive performance and ethical considerations. We present FairTTTS, a novel post-processing bias mitigation method inspired by the Tree Test Time Simulation (TTTS) method. Originally developed to enhance accuracy and robustness against adversarial inputs through probabilistic decision-path adjustments, TTTS serves as the foundation for FairTTTS. By building on this accuracy-enhancing technique, FairTTTS mitigates bias and improves predictive performance. FairTTTS uses a distance-based heuristic to adjust decisions at protected attribute nodes, ensuring fairness for unprivileged samples. This fairness-oriented adjustment occurs as a post-processing step, allowing FairTTTS to be applied to pre-trained models, diverse datasets, and various fairness metrics without retraining. Extensive evaluation on seven benchmark datasets shows that FairTTTS outperforms traditional methods in fairness improvement, achieving a 20.96% average increase over the baseline compared to 18.78% for related work, and further enhances accuracy by 0.55%. In contrast, competing methods typically reduce accuracy by 0.42%. These results confirm that FairTTTS effectively promotes more equitable decision-making while simultaneously improving predictive performance.

Out-of-distribution (OOD) detection holds significant importance across many applications. While semantic and domain-shift OOD problems are well-studied, this work focuses on covariate shifts - subtle variations in the data distribution that can degrade machine learning performance. We hypothesize that detecting these subtle shifts can improve our understanding of in-distribution boundaries, ultimately improving OOD detection. In adversarial discriminators trained with Batch Normalization (BN), real and adversarial samples form distinct domains with unique batch statistics - a property we exploit for OOD detection. We introduce DisCoPatch, an unsupervised Adversarial Variational Autoencoder (VAE) framework that harnesses this mechanism. During inference, batches consist of patches from the same image, ensuring a consistent data distribution that allows the model to rely on batch statistics. DisCoPatch uses the VAE's suboptimal outputs (generated and reconstructed) as negative samples to train the discriminator, thereby improving its ability to delineate the boundary between in-distribution samples and covariate shifts. By tightening this boundary, DisCoPatch achieves state-of-the-art results in public OOD detection benchmarks. The proposed model not only excels in detecting covariate shifts, achieving 95.5% AUROC on ImageNet-1K(-C) but also outperforms all prior methods on public Near-OOD (95.0%) benchmarks. With a compact model size of 25MB, it achieves high OOD detection performance at notably lower latency than existing methods, making it an efficient and practical solution for real-world OOD detection applications. The code will be made publicly available

We investigate combining imaging and shape features extracted from MRI for the clinically relevant tasks of brain age prediction and Alzheimer's disease classification. Our proposed model fuses ResNet-extracted image embeddings with shape embeddings from a bespoke graph neural network. The shape embeddings are derived from surface meshes of 15 brain structures, capturing detailed geometric information. Combined with the appearance features from T1-weighted images, we observe improvements in the prediction performance on both tasks, with substantial gains for classification. We evaluate the model using public datasets, including CamCAN, IXI, and OASIS3, demonstrating the effectiveness of fusing imaging and shape features for brain analysis.

Current evaluations of defenses against prompt attacks in large language model (LLM) applications often overlook two critical factors: the dynamic nature of adversarial behavior and the usability penalties imposed on legitimate users by restrictive defenses. We propose D-SEC (Dynamic Security Utility Threat Model), which explicitly separates attackers from legitimate users, models multi-step interactions, and rigorously expresses the security-utility in an optimizable form. We further address the shortcomings in existing evaluations by introducing Gandalf, a crowd-sourced, gamified red-teaming platform designed to generate realistic, adaptive attack datasets. Using Gandalf, we collect and release a dataset of 279k prompt attacks. Complemented by benign user data, our analysis reveals the interplay between security and utility, showing that defenses integrated in the LLM (e.g., system prompts) can degrade usability even without blocking requests. We demonstrate that restricted application domains, defense-in-depth, and adaptive defenses are effective strategies for building secure and useful LLM applications. Code is available at \href{https://github.com/lakeraai/dsec-gandalf}{\texttt{https://github.com/lakeraai/dsec-gandalf}}.

Automated chest radiographs interpretation requires both accurate disease classification and detailed radiology report generation, presenting a significant challenge in the clinical workflow. Current approaches either focus on classification accuracy at the expense of interpretability or generate detailed but potentially unreliable reports through image captioning techniques. In this study, we present RadAlign, a novel framework that combines the predictive accuracy of vision-language models (VLMs) with the reasoning capabilities of large language models (LLMs). Inspired by the radiologist's workflow, RadAlign first employs a specialized VLM to align visual features with key medical concepts, achieving superior disease classification with an average AUC of 0.885 across multiple diseases. These recognized medical conditions, represented as text-based concepts in the aligned visual-language space, are then used to prompt LLM-based report generation. Enhanced by a retrieval-augmented generation mechanism that grounds outputs in similar historical cases, RadAlign delivers superior report quality with a GREEN score of 0.678, outperforming state-of-the-art methods' 0.634. Our framework maintains strong clinical interpretability while reducing hallucinations, advancing automated medical imaging and report analysis through integrated predictive and generative AI. Code is available at https://github.com/difeigu/RadAlign.

This work invokes the notion of $f$-divergence to introduce a novel upper bound on the Bayes error rate of a general classification task. We show that the proposed bound can be computed by sampling from the output of a parameterized model. Using this practical interpretation, we introduce the Bayes optimal learning threshold (BOLT) loss whose minimization enforces a classification model to achieve the Bayes error rate. We validate the proposed loss for image and text classification tasks, considering MNIST, Fashion-MNIST, CIFAR-10, and IMDb datasets. Numerical experiments demonstrate that models trained with BOLT achieve performance on par with or exceeding that of cross-entropy, particularly on challenging datasets. This highlights the potential of BOLT in improving generalization.

Understanding how molecular changes caused by genetic variation drive disease risk is crucial for deciphering disease mechanisms. However, interpreting genome sequences is challenging because of the vast size of the human genome, and because its consequences manifest across a wide range of cells, tissues and scales -- spanning from molecular to whole organism level. Here, we present Phenformer, a multi-scale genetic language model that learns to generate mechanistic hypotheses as to how differences in genome sequence lead to disease-relevant changes in expression across cell types and tissues directly from DNA sequences of up to 88 million base pairs. Using whole genome sequencing data from more than 150 000 individuals, we show that Phenformer generates mechanistic hypotheses about disease-relevant cell and tissue types that match literature better than existing state-of-the-art methods, while using only sequence data. Furthermore, disease risk predictors enriched by Phenformer show improved prediction performance and generalisation to diverse populations. Accurate multi-megabase scale interpretation of whole genomes without additional experimental data enables both a deeper understanding of molecular mechanisms involved in disease and improved disease risk prediction at the level of individuals.

Electrochemistry workflows utilize various instruments and computing systems to execute workflows consisting of electrocatalyst synthesis, testing and evaluation tasks. The heterogeneity of the software and hardware of these ecosystems makes it challenging to orchestrate a complete workflow from production to characterization by automating its tasks. We propose an autonomous electrochemistry computing platform for a multi-site ecosystem that provides the services for remote experiment steering, real-time measurement transfer, and AI/ML-driven analytics. We describe the integration of a mobile robot and synthesis workstation into the ecosystem by developing custom hub-networks and software modules to support remote operations over the ecosystem's wireless and wired networks. We describe a workflow task for generating I-V voltammetry measurements using a potentiostat, and a machine learning framework to ensure their normality by detecting abnormal conditions such as disconnected electrodes. We study a number of machine learning methods for the underlying detection problem, including smooth, non-smooth, structural and statistical methods, and their fusers. We present experimental results to illustrate the effectiveness of this platform, and also validate the proposed ML method by deriving its rigorous generalization equations.