First, we define distributionally equivalent and Max-Information model extraction attacks, and reduce them into a variational optimisation problem.

Distribution shifts in multi-dimensional data, caused by one or more "corrupted" dimensions, are

Recent advances in self-supervised deep learning have improved our ability to quantify cellular morphological changes in high-throughput microscopy screens, a process known as morphological profiling. However, most current methods only learn from images, despite many screens being inherently multimodal, as they involve both a chemical or genetic perturbation as well as an image-based readout. We hypothesized that incorporating chemical compound structure during self-supervised pre-training could improve learned representations of images in high-throughput microscopy screens. We introduce a representation learning framework, MICON (Molecular-Image Contrastive Learning), that models chemical compounds as treatments that induce counterfactual transformations of cell phenotypes. MICON significantly outperforms classical hand-crafted features such as CellProfiler and existing deep-learning-based representation learning methods in challenging evaluation settings where models must identify reproducible effects of drugs across independent replicates and data-generating centers. We demonstrate that incorporating chemical compound information into the learning process provides consistent improvements in our evaluation setting and that modeling compounds specifically as treatments in a causal framework outperforms approaches that directly align images and compounds in a single representation space. Our findings point to a new direction for representation learning in morphological profiling, suggesting that methods should explicitly account for the multimodal nature of microscopy screening data.

The rise of single-cell sequencing technologies has revolutionized the exploration of drug resistance, revealing the crucial role of cellular heterogeneity in advancing precision medicine. By building computational models from existing single-cell drug response data, we can rapidly annotate cellular responses to drugs in subsequent trials. To this end, we developed scGSDR, a model that integrates two computational pipelines grounded in the knowledge of cellular states and gene signaling pathways, both essential for understanding biological gene semantics. scGSDR enhances predictive performance by incorporating gene semantics and employs an interpretability module to identify key pathways contributing to drug resistance phenotypes. Our extensive validation, which included 16 experiments covering 11 drugs, demonstrates scGSDR's superior predictive accuracy, when trained with either bulk-seq or scRNA-seq data, achieving high AUROC, AUPR, and F1 Scores. The model's application has extended from single-drug predictions to scenarios involving drug combinations. Leveraging pathways of known drug target genes, we found that scGSDR's cell-pathway attention scores are biologically interpretable, which helped us identify other potential drug-related genes. Literature review of top-ranking genes in our predictions such as BCL2, CCND1, the AKT family, and PIK3CA for PLX4720; and ICAM1, VCAM1, NFKB1, NFKBIA, and RAC1 for Paclitaxel confirmed their relevance. In conclusion, scGSDR, by incorporating gene semantics, enhances predictive modeling of cellular responses to diverse drugs, proving invaluable for scenarios involving both single drug and combination therapies and effectively identifying key resistance-related pathways, thus advancing precision medicine and targeted therapy development.

We introduce HiCat (Hybrid Cell Annotation using Transformative embeddings), a novel semi-supervised pipeline for annotating cell types from single-cell RNA sequencing data. HiCat fuses the strengths of supervised learning for known cell types with unsupervised learning to identify novel types. This hybrid approach incorporates both reference and query genomic data for feature engineering, enhancing the embedding learning process, increasing the effective sample size for unsupervised techniques, and improving the transferability of the supervised model trained on reference data when applied to query datasets. The pipeline follows six key steps: (1) removing batch effects using Harmony to generate a 50-dimensional principal component embedding; (2) applying UMAP for dimensionality reduction to two dimensions to capture crucial data patterns; (3) conducting unsupervised clustering of cells with DBSCAN, yielding a one-dimensional cluster membership vector; (4) merging the multi-resolution results of the previous steps into a 53-dimensional feature space that encompasses both reference and query data; (5) training a CatBoost model on the reference dataset to predict cell types in the query dataset; and (6) resolving inconsistencies between the supervised predictions and unsupervised cluster labels. When benchmarked on 10 publicly available genomic datasets, HiCat surpasses other methods, particularly in differentiating and identifying multiple new cell types. Its capacity to accurately classify novel cell types showcases its robustness and adaptability within intricate biological datasets.

Prior work in sequence labeling for e-commerce has largely addressed aspect-value extraction which focuses on extracting portions of a product title or query for narrowly defined aspects. Our work instead focuses on the goal of dividing a query into meaningful chunks with broadly applicable types. We report baseline tagging results and conduct experiments comparing token and entity dropping for null and low recall query recovery. Challenging test sets are created using automatic transformations and show how simple data augmentation techniques can make the models more robust to noise. We make the QueryNER dataset publicly available.

The widespread use of deep learning technology across various industries has made deep neural network models highly valuable and, as a result, attractive targets for potential attackers. Model extraction attacks, particularly query-based model extraction attacks, allow attackers to replicate a substitute model with comparable functionality to the victim model and present a significant threat to the confidentiality and security of MLaaS platforms. While many studies have explored threats of model extraction attacks against classification models in recent years, object detection models, which are more frequently used in real-world scenarios, have received less attention. In this paper, we investigate the challenges and feasibility of query-based model extraction attacks against object detection models and propose an effective attack method called MEAOD. It selects samples from the attacker-possessed dataset to construct an efficient query dataset using active learning and enhances the categories with insufficient objects. We additionally improve the extraction effectiveness by updating the annotations of the query dataset. According to our gray-box and black-box scenarios experiments, we achieve an extraction performance of over 70% under the given condition of a 10k query budget.

Data shift is a phenomenon present in many real-world applications, and while there are multiple methods attempting to detect shifts, the task of localizing and correcting the features originating such shifts has not been studied in depth. Feature shifts can occur in many datasets, including in multi-sensor data, where some sensors are malfunctioning, or in tabular and structured data, including biomedical, financial, and survey data, where faulty standardization and data processing pipelines can lead to erroneous features. In this work, we explore using the principles of adversarial learning, where the information from several discriminators trained to distinguish between two distributions is used to both detect the corrupted features and fix them in order to remove the distribution shift between datasets. We show that mainstream supervised classifiers, such as random forest or gradient boosting trees, combined with simple iterative heuristics, can localize and correct feature shifts, outperforming current statistical and neural network-based techniques.