In the rapidly evolving field of cybersecurity, the integration of flow-level and packet-level information for real-time intrusion detection remains a largely untapped area of research. This paper introduces "XG-NID," a novel framework that, to the best of our knowledge, is the first to fuse flow-level and packet-level data within a heterogeneous graph structure, offering a comprehensive analysis of network traffic. Leveraging a heterogeneous graph neural network (GNN) with graph-level classification, XG-NID uniquely enables real-time inference while effectively capturing the intricate relationships between flow and packet payload data. Unlike traditional GNN-based methodologies that predominantly analyze historical data, XG-NID is designed to accommodate the heterogeneous nature of network traffic, providing a robust and real-time defense mechanism. Our framework extends beyond mere classification; it integrates Large Language Models (LLMs) to generate detailed, human-readable explanations and suggest potential remedial actions, ensuring that the insights produced are both actionable and comprehensible. Additionally, we introduce a new set of flow features based on temporal information, further enhancing the contextual and explainable inferences provided by our model. To facilitate practical application and accessibility, we developed "GNN4ID," an open-source tool that enables the extraction and transformation of raw network traffic into the proposed heterogeneous graph structure, seamlessly integrating flow and packet-level data. Our comprehensive quantitative comparative analysis demonstrates that XG-NID achieves an F1 score of 97\% in multi-class classification, outperforming existing baseline and state-of-the-art methods. This sets a new standard in Network Intrusion Detection Systems by combining innovative data fusion with enhanced interpretability and real-time capabilities.
The Web today has millions of datasets, and the number of datasets continues to grow at a rapid pace. These datasets are not standalone entities; rather, they are intricately connected through complex relationships. Semantic relationships between datasets provide critical insights for research and decision-making processes. In this paper, we study dataset relationships from the perspective of users who discover, use, and share datasets on the Web: what relationships are important for different tasks? What contextual information might users want to know? We first present a comprehensive taxonomy of relationships between datasets on the Web and map these relationships to user tasks performed during dataset discovery. We develop a series of methods to identify these relationships and compare their performance on a large corpus of datasets generated from Web pages with schema.org markup. We demonstrate that machine-learning based methods that use dataset metadata achieve multi-class classification accuracy of 90%. Finally, we highlight gaps in available semantic markup for datasets and discuss how incorporating comprehensive semantics can facilitate the identification of dataset relationships. By providing a comprehensive overview of dataset relationships at scale, this paper sets a benchmark for future research.
Providing security for information is highly critical in the current era with devices enabled with smart technology, where assuming a day without the internet is highly impossible. Fast internet at a cheaper price, not only made communication easy for legitimate users but also for cybercriminals to induce attacks in various dimensions to breach privacy and security. Cybercriminals gain illegal access and breach the privacy of users to harm them in multiple ways. Malware is one such tool used by hackers to execute their malicious intent. Development in AI technology is utilized by malware developers to cause social harm. In this work, we intend to show how Artificial Intelligence and Machine learning can be used to detect and mitigate these cyber-attacks induced by malware in specific obfuscated malware. We conducted experiments with memory feature engineering on memory analysis of malware samples. Binary classification can identify whether a given sample is malware or not, but identifying the type of malware will only guide what next step to be taken for that malware, to stop it from proceeding with its further action. Hence, we propose a multi-class classification model to detect the three types of obfuscated malware with an accuracy of 89.07% using the Classic Random Forest algorithm. To the best of our knowledge, there is very little amount of work done in classifying multiple obfuscated malware by a single model. We also compared our model with a few state-of-the-art models and found it comparatively better.
Quantitative magnetic resonance imaging (qMRI) is increasingly investigated for use in a variety of clinical tasks from diagnosis, through staging, to treatment monitoring. However, experiment design in qMRI, the identification of the optimal acquisition protocols, has been focused on obtaining the most precise parameter estimations, with no regard for the specific requirements of downstream tasks. Here we propose SCREENER: A general framework for task-specific experiment design in quantitative MRI. SCREENER incorporates a task-specific objective and seeks the optimal protocol with a deep-reinforcement-learning (DRL) based optimization strategy. To illustrate this framework, we employ a task of classifying the inflammation status of bone marrow using diffusion MRI data with intravoxel incoherent motion (IVIM) modelling. Results demonstrate SCREENER outperforms previous ad hoc and optimized protocols under clinical signal-to-noise ratio (SNR) conditions, achieving significant improvement, both in binary classification tasks, e.g. from 67% to 89%, and in a multi-class classification task, from 46% to 59%. Additionally, we show this improvement is robust to the SNR. Lastly, we demonstrate the advantage of DRL-based optimization strategy, enabling zero-shot discovery of near-optimal protocols for a range of SNRs not used in training. In conclusion, SCREENER has the potential to enable wider uptake of qMRI in the clinic.
Although advancements in deep learning have significantly enhanced the recommendation accuracy of deep recommendation models, these methods still suffer from low recommendation efficiency. Recently proposed tree-based deep recommendation models alleviate the problem by directly learning tree structure and representations under the guidance of recommendation objectives. To guarantee the effectiveness of beam search for recommendation accuracy, these models strive to ensure that the tree adheres to the max-heap assumption, where a parent node's preference should be the maximum among its children's preferences. However, they employ a one-versus-all strategy, framing the training task as a series of independent binary classification objectives for each node, which limits their ability to fully satisfy the max-heap assumption. To this end, we propose a Deep Tree-based Retriever (DTR for short) for efficient recommendation. DTR frames the training task as a softmax-based multi-class classification over tree nodes at the same level, enabling explicit horizontal competition and more discriminative top-k selection among them, which mimics the beam search behavior during training. To mitigate the suboptimality induced by the labeling of non-leaf nodes, we propose a rectification method for the loss function, which further aligns with the max-heap assumption in expectation. As the number of tree nodes grows exponentially with the levels, we employ sampled softmax to approximate optimization and thereby enhance efficiency. Furthermore, we propose a tree-based sampling method to reduce the bias inherent in sampled softmax. Theoretical results reveal DTR's generalization capability, and both the rectification method and tree-based sampling contribute to improved generalization. The experiments are conducted on four real-world datasets, validating the effectiveness of the proposed method.
Support Vector Machines (SVMs) based on hinge loss have been extensively discussed and applied to various binary classification tasks. These SVMs achieve a balance between margin maximization and the minimization of slack due to outliers. Although many efforts have been dedicated to enhancing the performance of SVMs with hinge loss, studies on $p$SVMs, soft-margin SVMs with $p$-norm hinge loss, remain relatively scarce. In this paper, we explore the properties, performance, and training algorithms of $p$SVMs. We first derive the generalization bound of $p$SVMs, then formulate the dual optimization problem, comparing it with the traditional approach. Furthermore, we discuss a generalized version of the Sequential Minimal Optimization (SMO) algorithm, $p$SMO, to train our $p$SVM model. Comparative experiments on various datasets, including binary and multi-class classification tasks, demonstrate the effectiveness and advantages of our $p$SVM model and the $p$SMO method. Code is available at https://github.com/CoderBak/pSVM.
Machine learning-driven methods for property prediction have been of deep interest. However, much work remains to be done to improve the generalization ability, accuracy, and inference time for critical applications. The traditional machine learning models predict properties based on the features extracted from the molecules, which are often not easily available. In this work, a novel Deep Learning method, the Edge Conditioned Residual Graph Neural Network (ECRGNN), has been applied, allowing us to predict properties directly only the Graph-based structures of the molecules. SMILES (Simplified Molecular Input Line Entry System) representation of the molecules has been used in the present study as input data format, which has been further converted into a graph database, which constitutes the training data. This manuscript highlights a detailed description of the novel GRU-based methodology, ECRGNN, to map the inputs that have been used. Emphasis is placed on highlighting both the regressive property and the classification efficacy of the same. A detailed description of the Variational Autoencoder (VAE) and the end-to-end learning method used for multi-class multi-label property prediction has been provided as well. The results have been compared with standard benchmark datasets as well as some newly developed datasets. All performance metrics that have been used have been clearly defined, and their reason for choice.
This study introduces novel superior scoring rules called Penalized Brier Score (PBS) and Penalized Logarithmic Loss (PLL) to improve model evaluation for probabilistic classification. Traditional scoring rules like Brier Score and Logarithmic Loss sometimes assign better scores to misclassifications in comparison with correct classifications. This discrepancy from the actual preference for rewarding correct classifications can lead to suboptimal model selection. By integrating penalties for misclassifications, PBS and PLL modify traditional proper scoring rules to consistently assign better scores to correct predictions. Formal proofs demonstrate that PBS and PLL satisfy strictly proper scoring rule properties while also preferentially rewarding accurate classifications. Experiments showcase the benefits of using PBS and PLL for model selection, model checkpointing, and early stopping. PBS exhibits a higher negative correlation with the F1 score compared to the Brier Score during training. Thus, PBS more effectively identifies optimal checkpoints and early stopping points, leading to improved F1 scores. Comparative analysis verifies models selected by PBS and PLL achieve superior F1 scores. Therefore, PBS and PLL address the gap between uncertainty quantification and accuracy maximization by encapsulating both proper scoring principles and explicit preference for true classifications. The proposed metrics can enhance model evaluation and selection for reliable probabilistic classification.
Marmoset monkeys encode vital information in their calls and serve as a surrogate model for neuro-biologists to understand the evolutionary origins of human vocal communication. Traditionally analyzed with signal processing-based features, recent approaches have utilized self-supervised models pre-trained on human speech for feature extraction, capitalizing on their ability to learn a signal's intrinsic structure independently of its acoustic domain. However, the utility of such foundation models remains unclear for marmoset call analysis in terms of multi-class classification, bandwidth, and pre-training domain. This study assesses feature representations derived from speech and general audio domains, across pre-training bandwidths of 4, 8, and 16 kHz for marmoset call-type and caller classification tasks. Results show that models with higher bandwidth improve performance, and pre-training on speech or general audio yields comparable results, improving over a spectral baseline.
This paper proposes a novel approach for modeling the problem of fault diagnosis using the Case Western Reserve University (CWRU) bearing fault dataset. Although the dataset is considered a standard reference for testing new algorithms, the typical dataset division suffers from data leakage, as shown by Hendriks et al. (2022) and Abburi et al. (2023), leading to papers reporting over-optimistic results. While their proposed division significantly mitigates this issue, it does not eliminate it entirely. Moreover, their proposed multi-class classification task can still lead to an unrealistic scenario by excluding the possibility of more than one fault type occurring at the same or different locations. As advocated in this paper, a multi-label formulation (detecting the presence of each type of fault for each location) can solve both issues, leading to a scenario closer to reality. Additionally, this approach mitigates the heavy class imbalance of the CWRU dataset, where faulty cases appear much more frequently than healthy cases, even though the opposite is more likely to occur in practice. A multi-label formulation also enables a more precise evaluation using prevalence-independent evaluation metrics for binary classification, such as the ROC curve. Finally, this paper proposes a more realistic dataset division that allows for more diversity in the training dataset while keeping the division free from data leakage. The results show that this new division can significantly improve performance while enabling a fine-grained error analysis. As an application of our approach, a comparative benchmark is performed using several state-of-the-art deep learning models applied to 1D and 2D signal representations in time and/or frequency domains.
We address the problem of performing regression while ensuring demographic parity, even without access to sensitive attributes during inference. We present a general-purpose post-processing algorithm that, using accurate estimates of the regression function and a sensitive attribute predictor, generates predictions that meet the demographic parity constraint. Our method involves discretization and stochastic minimization of a smooth convex function. It is suitable for online post-processing and multi-class classification tasks only involving unlabeled data for the post-processing. Unlike prior methods, our approach is fully theory-driven. We require precise control over the gradient norm of the convex function, and thus, we rely on more advanced techniques than standard stochastic gradient descent. Our algorithm is backed by finite-sample analysis and post-processing bounds, with experimental results validating our theoretical findings.
Recent research has introduced a key notion of $H$-consistency bounds for surrogate losses. These bounds offer finite-sample guarantees, quantifying the relationship between the zero-one estimation error (or other target loss) and the surrogate loss estimation error for a specific hypothesis set. However, previous bounds were derived under the condition that a lower bound of the surrogate loss conditional regret is given as a convex function of the target conditional regret, without non-constant factors depending on the predictor or input instance. Can we derive finer and more favorable $H$-consistency bounds? In this work, we relax this condition and present a general framework for establishing enhanced $H$-consistency bounds based on more general inequalities relating conditional regrets. Our theorems not only subsume existing results as special cases but also enable the derivation of more favorable bounds in various scenarios. These include standard multi-class classification, binary and multi-class classification under Tsybakov noise conditions, and bipartite ranking.
As a fundamental task in natural language processing, word embedding converts each word into a representation in a vector space. A challenge with word embedding is that as the vocabulary grows, the vector space's dimension increases, which can lead to a vast model size. Storing and processing word vectors are resource-demanding, especially for mobile edge-devices applications. This paper explores word embedding dimension reduction. To balance computational costs and performance, we propose an efficient and effective weakly-supervised feature selection method named WordFS. It has two variants, each utilizing novel criteria for feature selection. Experiments on various tasks (e.g., word and sentence similarity and binary and multi-class classification) indicate that the proposed WordFS model outperforms other dimension reduction methods at lower computational costs. We have released the code for reproducibility along with the paper.
With the rapid advancement in the performance of deep neural networks (DNNs), there has been significant interest in deploying and incorporating artificial intelligence (AI) systems into real-world scenarios. However, many DNNs lack the ability to represent uncertainty, often exhibiting excessive confidence even when making incorrect predictions. To ensure the reliability of AI systems, particularly in safety-critical cases, DNNs should transparently reflect the uncertainty in their predictions. In this paper, we investigate robust post-hoc uncertainty calibration methods for DNNs within the context of multi-class classification tasks. While previous studies have made notable progress, they still face challenges in achieving robust calibration, particularly in scenarios involving out-of-distribution (OOD). We identify that previous methods lack adaptability to individual input data and struggle to accurately estimate uncertainty when processing inputs drawn from the wild dataset. To address this issue, we introduce a novel instance-wise calibration method based on an energy model. Our method incorporates energy scores instead of softmax confidence scores, allowing for adaptive consideration of DNN uncertainty for each prediction within a logit space. In experiments, we show that the proposed method consistently maintains robust performance across the spectrum, spanning from in-distribution to OOD scenarios, when compared to other state-of-the-art methods.
Conformal prediction is a powerful framework for constructing prediction sets with valid coverage guarantees in multi-class classification. However, existing methods often rely on a single score function, which can limit their efficiency and informativeness. We propose a novel approach that combines multiple score functions to improve the performance of conformal predictors by identifying optimal weights that minimize prediction set size. Our theoretical analysis establishes a connection between the weighted score functions and subgraph classes of functions studied in Vapnik-Chervonenkis theory, providing a rigorous mathematical basis for understanding the effectiveness of the proposed method. Experiments demonstrate that our approach consistently outperforms single-score conformal predictors while maintaining valid coverage, offering a principled and data-driven way to enhance the efficiency and practicality of conformal prediction in classification tasks.
The robustness of machine learning models has been questioned by the existence of adversarial examples. We examine the threat of adversarial examples in practical applications that require lightweight models for one-class classification. Building on Ilyas et al. (2019), we investigate the vulnerability of lightweight one-class classifiers to adversarial attacks and possible reasons for it. Our results show that lightweight one-class classifiers learn features that are not robust (e.g. texture) under stronger attacks. However, unlike in multi-class classification (Ilyas et al., 2019), these non-robust features are not always useful for the one-class task, suggesting that learning these unpredictive and non-robust features is an unwanted consequence of training.
Although attention mechanisms have achieved considerable progress in Transformer-based architectures across various Artificial Intelligence (AI) domains, their inner workings remain to be explored. Existing explainable methods have different emphases but are rather one-sided. They primarily analyse the attention mechanisms or gradient-based attribution while neglecting the magnitudes of input feature values or the skip-connection module. Moreover, they inevitably bring spurious noisy pixel attributions unrelated to the model's decision, hindering humans' trust in the spotted visualization result. Hence, we propose an easy-to-implement but effective way to remedy this flaw: Smooth Noise Norm Attention (SNNA). We weigh the attention by the norm of the transformed value vector and guide the label-specific signal with the attention gradient, then randomly sample the input perturbations and average the corresponding gradients to produce noise-free attribution. Instead of evaluating the explanation method on the binary or multi-class classification tasks like in previous works, we explore the more complex multi-label classification scenario in this work, i.e., the driving action prediction task, and trained a model for it specifically. Both qualitative and quantitative evaluation results show the superiority of SNNA compared to other SOTA attention-based explainable methods in generating a clearer visual explanation map and ranking the input pixel importance.
Detecting visual content on language expression has become an emerging topic in the community. However, in the video domain, the existing setting, i.e., spatial-temporal video grounding (STVG), is formulated to only detect one pre-existing object in each frame, ignoring the fact that language descriptions can involve none or multiple entities within a video. In this work, we advance the STVG to a more practical setting called described spatial-temporal video detection (DSTVD) by overcoming the above limitation. To facilitate the exploration of DSTVD, we first introduce a new benchmark, namely DVD-ST. Notably, DVD-ST supports grounding from none to many objects onto the video in response to queries and encompasses a diverse range of over 150 entities, including appearance, actions, locations, and interactions. The extensive breadth and diversity of the DVD-ST dataset make it an exemplary testbed for the investigation of DSTVD. In addition to the new benchmark, we further present two baseline methods for our proposed DSTVD task by extending two representative STVG models, i.e., TubeDETR, and STCAT. These extended models capitalize on tubelet queries to localize and track referred objects across the video sequence. Besides, we adjust the training objectives of these models to optimize spatial and temporal localization accuracy and multi-class classification capabilities. Furthermore, we benchmark the baselines on the introduced DVD-ST dataset and conduct extensive experimental analysis to guide future investigation. Our code and benchmark will be publicly available.
Data augmentation is widely applied and has shown its benefits in different machine learning tasks. However, as recently observed, it may have an unfair effect in multi-class classification. While data augmentation generally improves the overall performance (and therefore is beneficial for many classes), it can actually be detrimental for other classes, which can be problematic in some application domains. In this paper, to counteract this phenomenon, we propose CLAM, a CLAss-dependent Multiplicative-weights method. To derive it, we first formulate the training of a classifier as a non-linear optimization problem that aims at simultaneously maximizing the individual class performances and balancing them. By rewriting this optimization problem as an adversarial two-player game, we propose a novel multiplicative weight algorithm, for which we prove the convergence. Interestingly, our formulation also reveals that the class-dependent effects of data augmentation is not due to data augmentation only, but is in fact a general phenomenon. Our empirical results over six datasets demonstrate that the performance of learned classifiers is indeed more fairly distributed over classes, with only limited impact on the average accuracy.
Neural networks often assume independence among input data samples, disregarding correlations arising from inherent clustering patterns in real-world datasets (e.g., due to different sites or repeated measurements). Recently, mixed effects neural networks (MENNs) which separate cluster-specific 'random effects' from cluster-invariant 'fixed effects' have been proposed to improve generalization and interpretability for clustered data. However, existing methods only allow for approximate quantification of cluster effects and are limited to regression and binary targets with only one clustering feature. We present MC-GMENN, a novel approach employing Monte Carlo methods to train Generalized Mixed Effects Neural Networks. We empirically demonstrate that MC-GMENN outperforms existing mixed effects deep learning models in terms of generalization performance, time complexity, and quantification of inter-cluster variance. Additionally, MC-GMENN is applicable to a wide range of datasets, including multi-class classification tasks with multiple high-cardinality categorical features. For these datasets, we show that MC-GMENN outperforms conventional encoding and embedding methods, simultaneously offering a principled methodology for interpreting the effects of clustering patterns.