The analysis of high-dimensional timeline data and the identification of outliers and anomalies is critical across diverse domains, including sensor readings, biological and medical data, historical records, and global statistics. However, conventional analysis techniques often struggle with challenges such as high dimensionality, complex distributions, and sparsity. These limitations hinder the ability to extract meaningful insights from complex temporal datasets, making it difficult to identify trending features, outliers, and anomalies effectively. Inspired by surprisability -- a cognitive science concept describing how humans instinctively focus on unexpected deviations - we propose Learning via Surprisability (LvS), a novel approach for transforming high-dimensional timeline data. LvS quantifies and prioritizes anomalies in time-series data by formalizing deviations from expected behavior. LvS bridges cognitive theories of attention with computational methods, enabling the detection of anomalies and shifts in a way that preserves critical context, offering a new lens for interpreting complex datasets. We demonstrate the usefulness of LvS on three high-dimensional timeline use cases: a time series of sensor data, a global dataset of mortality causes over multiple years, and a textual corpus containing over two centuries of State of the Union Addresses by U.S. presidents. Our results show that the LvS transformation enables efficient and interpretable identification of outliers, anomalies, and the most variable features along the timeline.

Data driven and autoregressive indoor scene synthesis systems generate indoor scenes automatically by suggesting and then placing objects one at a time. Empirical observations show that current systems tend to produce incomplete next object location distributions. We introduce a system which addresses this problem. We design a Domain Specific Language (DSL) that specifies functional constraints. Programs from our language take as input a partial scene and object to place. Upon execution they predict possible object placements. We design a generative model which writes these programs automatically. Available 3D scene datasets do not contain programs to train on, so we build upon previous work in unsupervised program induction to introduce a new program bootstrapping algorithm. In order to quantify our empirical observations we introduce a new evaluation procedure which captures how well a system models per-object location distributions. We ask human annotators to label all the possible places an object can go in a scene and show that our system produces per-object location distributions more consistent with human annotators. Our system also generates indoor scenes of comparable quality to previous systems and while previous systems degrade in performance when training data is sparse, our system does not degrade to the same degree.

Large Language Model (LLM) based judges form the underpinnings of key safety evaluation processes such as offline benchmarking, automated red-teaming, and online guardrailing. This widespread requirement raises the crucial question: can we trust the evaluations of these evaluators? In this paper, we highlight two critical challenges that are typically overlooked: (i) evaluations in the wild where factors like prompt sensitivity and distribution shifts can affect performance and (ii) adversarial attacks that target the judge. We highlight the importance of these through a study of commonly used safety judges, showing that small changes such as the style of the model output can lead to jumps of up to 0.24 in the false negative rate on the same dataset, whereas adversarial attacks on the model generation can fool some judges into misclassifying 100% of harmful generations as safe ones. These findings reveal gaps in commonly used meta-evaluation benchmarks and weaknesses in the robustness of current LLM judges, indicating that low attack success under certain judges could create a false sense of security. Well-known jailbreak attacks on widely used Large Language Models (LLMs) such as ChatGPT have raised concerns about the robustness of these systems to safety violations. As a result, organizations deploying them typically rely on a two-pronged approach to safety: 1) offline benchmarking and red-teaming (Mazeika et al., 2024; Perez et al., 2022; Ganguli et al., 2022), and 2) online guardrails designed to minimize the risk from attacks (Mu et al., 2024; Manczak et al., 2024; Neill et al., 2024).

This research addresses the challenges of handling unbalanced datasets for binary classification tasks. In such scenarios, standard evaluation metrics are often biased by the disproportionate representation of the minority class. Conducting experiments across seven datasets, we uncovered inconsistencies in evaluation metrics when determining the model that outperforms others for each binary classification problem. This justifies the need for a metric that provides a more consistent and unbiased evaluation across unbalanced datasets, thereby supporting robust model selection. To mitigate this problem, we propose a novel metric, the Unbiased Integration Coefficients (UIC), which exhibits significantly reduced bias ($p < 10^{-4}$) towards the minority class compared to conventional metrics. The UIC is constructed by aggregating existing metrics while penalising those more prone to imbalance. In addition, we introduce the Identical Partitions for Imbalance Problems (IPIP) algorithm for imbalanced ML problems, an ensemble-based approach. Our experimental results show that IPIP outperforms other baseline imbalance-aware approaches using Random Forest and Logistic Regression models in three out of seven datasets as assessed by the UIC metric, demonstrating its effectiveness in addressing imbalanced data challenges in binary classification tasks. This new framework for dealing with imbalanced datasets is materialized in the FILM (Framework for Imbalanced Learning Machines) R Package, accessible at https://github.com/antoniogt/FILM.

Structure-based drug discovery (SBDD) is a systematic scientific process that develops new drugs by leveraging the detailed physical structure of the target protein. Recent advancements in pre-trained models for biomolecules have demonstrated remarkable success across various biochemical applications, including drug discovery and protein engineering. However, in most approaches, the pre-trained models primarily focus on the characteristics of either small molecules or proteins, without delving into their binding interactions which are essential cross-domain relationships pivotal to SBDD. To fill this gap, we propose a general-purpose foundation model named BIT (an abbreviation for Biomolecular Interaction Transformer), which is capable of encoding a range of biochemical entities, including small molecules, proteins, and protein-ligand complexes, as well as various data formats, encompassing both 2D and 3D structures. Specifically, we introduce Mixture-of-Domain-Experts (MoDE) to handle the biomolecules from diverse biochemical domains and Mixture-of-Structure-Experts (MoSE) to capture positional dependencies in the molecular structures. The proposed mixture-of-experts approach enables BIT to achieve both deep fusion and domain-specific encoding, effectively capturing fine-grained molecular interactions within protein-ligand complexes. Then, we perform cross-domain pre-training on the shared Transformer backbone via several unified self-supervised denoising tasks. Experimental results on various benchmarks demonstrate that BIT achieves exceptional performance in downstream tasks, including binding affinity prediction, structure-based virtual screening, and molecular property prediction.

We introduce a new model for conditional and continuous data morphing called TRansport Adversarial Network for Smooth InTerpolation (TRANSIT). We apply it to create a background data template for weakly-supervised searches at the LHC. The method smoothly transforms sideband events to match signal region mass distributions. We demonstrate the performance of TRANSIT using the LHC Olympics R\&D dataset. The model captures non-linear mass correlations of features and produces a template that offers a competitive anomaly sensitivity compared to state-of-the-art transport-based template generators. Moreover, the computational training time required for TRANSIT is an order of magnitude lower than that of competing deep learning methods. This makes it ideal for analyses that iterate over many signal regions and signal models. Unlike generative models, which must learn a full probability density distribution, i.e., the correlations between all the variables, the proposed transport model only has to learn a smooth conditional shift of the distribution. This allows for a simpler, more efficient residual architecture, enabling mass uncorrelated features to pass the network unchanged while the mass correlated features are adjusted accordingly. Furthermore, we show that the latent space of the model provides a set of mass decorrelated features useful for anomaly detection without background sculpting.

Datasets for object detection often do not account for enough variety of glasses, due to their transparent and reflective properties. Specifically, open-vocabulary object detectors, widely used in embodied robotic agents, fail to distinguish subclasses of glasses. This scientific gap poses an issue to robotic applications that suffer from accumulating errors between detection, planning, and action execution. The paper introduces a novel method for the acquisition of real-world data from RGB-D sensors that minimizes human effort. We propose an auto-labeling pipeline that generates labels for all the acquired frames based on the depth measurements. We provide a novel real-world glass object dataset that was collected on the Neuro-Inspired COLlaborator (NICOL), a humanoid robot platform. The data set consists of 7850 images recorded from five different cameras. We show that our trained baseline model outperforms state-of-the-art open-vocabulary approaches. In addition, we deploy our baseline model in an embodied agent approach to the NICOL platform, on which it achieves a success rate of 81% in a human-robot bartending scenario.

In modern world the importance of cybersecurity of various systems is increasing from year to year. The number of information security events generated by information security tools grows up with the development of the IT infrastructure. At the same time, the cyber threat landscape does not remain constant, and monitoring should take into account both already known attack indicators and those for which there are no signature rules in information security products of various classes yet. Detecting anomalies in large cybersecurity data streams is a complex task that, if properly addressed, can allow for timely response to atypical and previously unknown cyber threats. The possibilities of using of offline algorithms may be limited for a number of reasons related to the time of training and the frequency of retraining. Using stream learning algorithms for solving this task is capable of providing near-real-time data processing. This article examines the results of ten algorithms from three Python stream machine-learning libraries on BETH dataset with cybersecurity events, which contains information about the creation, cloning, and destruction of operating system processes collected using extended eBPF. ROC-AUC metric and total processing time of processing with these algorithms are presented. Several combinations of features and the order of events are considered. In conclusion, some mentions are given about the most promising algorithms and possible directions for further research are outlined.

As modern networks grow increasingly complex--driven by diverse devices, encrypted protocols, and evolving threats--network traffic analysis has become critically important. Existing machine learning models often rely only on a single representation of packets or flows, limiting their ability to capture the contextual relationships essential for robust analysis. Furthermore, task-specific architectures for supervised, semi-supervised, and unsupervised learning lead to inefficiencies in adapting to varying data formats and security tasks. To address these gaps, we propose UniNet, a unified framework that introduces a novel multi-granular traffic representation (T-Matrix), integrating session, flow, and packet-level features to provide comprehensive contextual information. Combined with T-Attent, a lightweight attention-based model, UniNet efficiently learns latent embeddings for diverse security tasks. Extensive evaluations across four key network security and privacy problems--anomaly detection, attack classification, IoT device identification, and encrypted website fingerprinting--demonstrate UniNet's significant performance gain over state-of-the-art methods, achieving higher accuracy, lower false positive rates, and improved scalability. By addressing the limitations of single-level models and unifying traffic analysis paradigms, UniNet sets a new benchmark for modern network security.

Diabetes is a prevalent chronic disease with significant health and economic burdens worldwide. Early prediction and diagnosis can aid in effective management and prevention of complications. This study explores the use of machine learning models to predict diabetes based on lifestyle factors using data from the Behavioral Risk Factor Surveillance System (BRFSS) 2015 survey. The dataset consists of 21 lifestyle and health-related features, capturing aspects such as physical activity, diet, mental health, and socioeconomic status. Three classification models, Decision Tree, K-Nearest Neighbors (KNN), and Logistic Regression, are implemented and evaluated to determine their predictive performance. The models are trained and tested using a balanced dataset, and their performances are assessed based on accuracy, precision, recall, and F1-score. The results indicate that the Decision Tree, KNN, and Logistic Regression achieve an accuracy of 0.74, 0.72, and 0.75, respectively, with varying strengths in precision and recall. The findings highlight the potential of machine learning in diabetes prediction and suggest future improvements through feature selection and ensemble learning techniques.