Vision transformers combined with self-supervised learning have enabled the development of models which scale across large datasets for several downstream tasks like classification, segmentation and detection. The low-shot learning capability of these models, across several low-shot downstream tasks, has been largely under explored. We perform a system level study of different self supervised pretext tasks, namely contrastive learning, clustering, and masked image modelling for their low-shot capabilities by comparing the pretrained models. In addition we also study the effects of collapse avoidance methods, namely centring, ME-MAX, sinkhorn, on these downstream tasks. Based on our detailed analysis, we introduce a framework involving both mask image modelling and clustering as pretext tasks, which performs better across all low-shot downstream tasks, including multi-class classification, multi-label classification and semantic segmentation. Furthermore, when testing the model on full scale datasets, we show performance gains in multi-class classification, multi-label classification and semantic segmentation.
Large language models (LLM) have achieved remarkable success in natural language generation but lesser focus has been given to their applicability in decision making tasks such as classification. We show that LLMs like LLaMa can achieve high performance on large multi-class classification tasks but still make classification errors and worse, generate out-of-vocabulary class labels. To address these critical issues, we introduce Paraphrase and AGgregate (PAG)-LLM approach wherein an LLM generates multiple paraphrases of the input query (parallel queries), performs multi-class classification for the original query and each paraphrase, and at the end aggregate all the classification labels based on their confidence scores. We evaluate PAG-LLM on two large multi-class classication datasets: CLINC, and Banking and show 22.7% and 15.1% error reduction. We show that PAG-LLM is especially effective for hard examples where LLM is uncertain, and reduces the critical misclassification and hallucinated label generation errors
Tabular data have been extensively used in different knowledge domains. Convolutional neural networks (CNNs) have been successfully used in many applications where important information about data is embedded in the order of features (images), outperforming predictive results of traditional models. Recently, several researchers have proposed transforming tabular data into images to leverage the potential of CNNs and obtain high results in predictive tasks such as classification and regression. In this paper, we present a novel and effective approach for transforming tabular data into images, addressing the inherent limitations associated with low-dimensional and mixed-type datasets. Our method, named Low Mixed-Image Generator for Tabular Data (LM-IGTD), integrates a stochastic feature generation process and a modified version of the IGTD. We introduce an automatic and interpretable end-to-end pipeline, enabling the creation of images from tabular data. A mapping between original features and the generated images is established, and post hoc interpretability methods are employed to identify crucial areas of these images, enhancing interpretability for predictive tasks. An extensive evaluation of the tabular-to-image generation approach proposed on 12 low-dimensional and mixed-type datasets, including binary and multi-class classification scenarios. In particular, our method outperformed all traditional ML models trained on tabular data in five out of twelve datasets when using images generated with LM-IGTD and CNN. In the remaining datasets, LM-IGTD images and CNN consistently surpassed three out of four traditional ML models, achieving similar results to the fourth model.
Pneumonia is a respiratory infection caused by bacteria, fungi, or viruses. It affects many people, particularly those in developing or underdeveloped nations with high pollution levels, unhygienic living conditions, overcrowding, and insufficient medical infrastructure. Pneumonia can cause pleural effusion, where fluids fill the lungs, leading to respiratory difficulty. Early diagnosis is crucial to ensure effective treatment and increase survival rates. Chest X-ray imaging is the most commonly used method for diagnosing pneumonia. However, visual examination of chest X-rays can be difficult and subjective. In this study, we have developed a computer-aided diagnosis system for automatic pneumonia detection using chest X-ray images. We have used DenseNet-121 and ResNet50 as the backbone for the binary class (pneumonia and normal) and multi-class (bacterial pneumonia, viral pneumonia, and normal) classification tasks, respectively. We have also implemented a channel-specific spatial attention mechanism, called Fuzzy Channel Selective Spatial Attention Module (FCSSAM), to highlight the specific spatial regions of relevant channels while removing the irrelevant channels of the extracted features by the backbone. We evaluated the proposed approach on a publicly available chest X-ray dataset, using binary and multi-class classification setups. Our proposed method achieves accuracy rates of 97.15\% and 79.79\% for the binary and multi-class classification setups, respectively. The results of our proposed method are superior to state-of-the-art (SOTA) methods. The code of the proposed model will be available at: https://github.com/AyushRoy2001/FA-Net.
Graph Neural Networks (GNNs) have achieved state-of-the-art results in node classification tasks. However, most improvements are in multi-class classification, with less focus on the cases where each node could have multiple labels. The first challenge in studying multi-label node classification is the scarcity of publicly available datasets. To address this, we collected and released three real-world biological datasets and developed a multi-label graph generator with tunable properties. We also argue that traditional notions of homophily and heterophily do not apply well to multi-label scenarios. Therefore, we define homophily and Cross-Class Neighborhood Similarity for multi-label classification and investigate $9$ collected multi-label datasets. Lastly, we conducted a large-scale comparative study with $8$ methods across nine datasets to evaluate current progress in multi-label node classification. We release our code at \url{https://github.com/Tianqi-py/MLGNC}.
Random Forest (RF) is a popular tree-ensemble method for supervised learning, prized for its ease of use and flexibility. Online RF models require to account for new training data to maintain model accuracy. This is particularly important in applications where data is periodically and sequentially generated over time in data streams, such as auto-driving systems, and credit card payments. In this setting, performing periodic model retraining with the old and new data accumulated is beneficial as it fully captures possible drifts in the data distribution over time. However, this is unpractical with state-of-the-art classical algorithms for RF as they scale linearly with the accumulated number of samples. We propose QC-Forest, a classical-quantum algorithm designed to time-efficiently retrain RF models in the streaming setting for multi-class classification and regression, achieving a runtime poly-logarithmic in the total number of accumulated samples. QC-Forest leverages Des-q, a quantum algorithm for single tree construction and retraining proposed by Kumar et al. by expanding to multi-class classification, as the original proposal was limited to binary classes, and introducing an exact classical method to replace an underlying quantum subroutine incurring a finite error, while maintaining the same poly-logarithmic dependence. Finally, we showcase that QC-Forest achieves competitive accuracy in comparison to state-of-the-art RF methods on widely used benchmark datasets with up to 80,000 samples, while significantly speeding up the model retrain.
Explainable Artificial Intelligence (XAI) has become a widely discussed topic, the related technologies facilitate better understanding of conventional black-box models like Random Forest, Neural Networks and etc. However, domain-specific applications of XAI are still insufficient. To fill this gap, this research analyzes various machine learning models to the tasks of binary and multi-class classification for intrusion detection from network traffic on the same dataset using occlusion sensitivity. The models evaluated include Linear Regression, Logistic Regression, Linear Support Vector Machine (SVM), K-Nearest Neighbors (KNN), Random Forest, Decision Trees, and Multi-Layer Perceptrons (MLP). We trained all models to the accuracy of 90\% on the UNSW-NB15 Dataset. We found that most classifiers leverage only less than three critical features to achieve such accuracies, indicating that effective feature engineering could actually be far more important for intrusion detection than applying complicated models. We also discover that Random Forest provides the best performance in terms of accuracy, time efficiency and robustness. Data and code available at https://github.com/pcwhy/XML-IntrusionDetection.git
Certain cancer types, namely pancreatic cancer is difficult to detect at an early stage; sparking the importance of discovering the causal relationship between biomarkers and cancer to identify cancer efficiently. By allowing for the detection and monitoring of specific biomarkers through a non-invasive method, liquid biopsies enhance the precision and efficacy of medical interventions, advocating the move towards personalized healthcare. Several machine learning algorithms such as Random Forest, SVM are utilized for classification, yet causing inefficiency due to the need for conducting hyperparameter tuning. We leverage a meta-trained Hyperfast model for classifying cancer, accomplishing the highest AUC of 0.9929 and simultaneously achieving robustness especially on highly imbalanced datasets compared to other ML algorithms in several binary classification tasks (e.g. breast invasive carcinoma; BRCA vs. non-BRCA). We also propose a novel ensemble model combining pre-trained Hyperfast model, XGBoost, and LightGBM for multi-class classification tasks, achieving an incremental increase in accuracy (0.9464) while merely using 500 PCA features; distinguishable from previous studies where they used more than 2,000 features for similar results.
Recent theoretical results on adversarial multi-class classification showed a similarity to the multi-marginal formulation of Wasserstein-barycenter in optimal transport. Unfortunately, both problems suffer from the curse of dimension, making it hard to exploit the nice linear program structure of the problems for numerical calculations. We investigate how ideas from Genetic Column Generation for multi-marginal optimal transport can be used to overcome the curse of dimension in computing the minimal adversarial risk in multi-class classification.
Network Intrusion Detection Systems (IDS) have become increasingly important as networks become more vulnerable to new and sophisticated attacks. Machine Learning (ML)-based IDS are increasingly seen as the most effective approach to handle this issue. However, IDS datasets suffer from high class imbalance, which impacts the performance of standard ML models. Different from existing data-driven techniques to handling class imbalance, this paper explores a structural approach to handling class imbalance in multi-class classification (MCC) problems. The proposed approach - Sequential Binary Classification (SBC), is a hierarchical cascade of (regular) binary classifiers. Experiments on benchmark IDS datasets demonstrate that the structural approach to handling class-imbalance, as exemplified by SBC, is a viable approach to handling the issue.
This paper introduces an innovative intrusion detection system that harnesses Generative Adversarial Networks (GANs), Multi-Scale Convolutional Neural Networks (MSCNNs), and Bidirectional Long Short-Term Memory (BiLSTM) networks, supplemented by Local Interpretable Model-Agnostic Explanations (LIME) for interpretability. Employing a GAN, the system generates realistic network traffic data, encompassing both normal and attack patterns. This synthesized data is then fed into an MSCNN-BiLSTM architecture for intrusion detection. The MSCNN layer extracts features from the network traffic data at different scales, while the BiLSTM layer captures temporal dependencies within the traffic sequences. Integration of LIME allows for explaining the model's decisions. Evaluation on the Hogzilla dataset, a standard benchmark, showcases an impressive accuracy of 99.16\% for multi-class classification and 99.10\% for binary classification, while ensuring interpretability through LIME. This fusion of deep learning and interpretability presents a promising avenue for enhancing intrusion detection systems by improving transparency and decision support in network security.
Explainability in classification results are dependent upon the features used for classification. Data dependency graph features representing data movement are directly correlated with operational semantics, and subject to fine grained analysis. This study obtains accurate classification from the use of features tied to structure and semantics. By training an accurate model using labeled data, this feature representation of semantics is shown to be correlated with ground truth labels. This was performed using non-parametric learning with a novel feature representation on a large scale dataset, the Kaggle 2015 Malware dataset. The features used enable fine grained analysis, increase in resolution, and explainable inferences. This allows for the body of the term frequency distribution to be further analyzed and to provide an increase in feature resolution over term frequency features. This method obtains high accuracy from analysis of a single instruction, a method that can be repeated for additional instructions to obtain further increases in accuracy. This study evaluates the hypothesis that the semantic representation and analysis of structure are able to make accurate predications and are also correlated to ground truth labels. Additionally, similarity in the metric space can be calculated directly without prior training. Our results provide evidence that data dependency graphs accurately capture both semantic and structural information for increased explainability in classification results.
Recent research efforts have explored the potential of leveraging natural language inference (NLI) techniques to enhance relation extraction (RE). In this vein, we introduce MetaEntail-RE, a novel adaptation method that harnesses NLI principles to enhance RE performance. Our approach follows past works by verbalizing relation classes into class-indicative hypotheses, aligning a traditionally multi-class classification task to one of textual entailment. We introduce three key enhancements: (1) Instead of labeling non-entailed premise-hypothesis pairs with the uninformative "neutral" entailment label, we introduce meta-class analysis, which provides additional context by analyzing overarching meta relationships between classes when assigning entailment labels; (2) Feasible hypothesis filtering, which removes unlikely hypotheses from consideration based on pairs of entity types; and (3) Group-based prediction selection, which further improves performance by selecting highly confident predictions. MetaEntail-RE is conceptually simple and empirically powerful, yielding significant improvements over conventional relation extraction techniques and other NLI formulations. Our experimental results underscore the versatility of MetaEntail-RE, demonstrating performance gains across both biomedical and general domains.
Various machine learning approaches have gained significant popularity for the automated classification of educational text to identify indicators of learning engagement -- i.e. learning engagement classification (LEC). LEC can offer comprehensive insights into human learning processes, attracting significant interest from diverse research communities, including Natural Language Processing (NLP), Learning Analytics, and Educational Data Mining. Recently, Large Language Models (LLMs), such as ChatGPT, have demonstrated remarkable performance in various NLP tasks. However, their comprehensive evaluation and improvement approaches in LEC tasks have not been thoroughly investigated. In this study, we propose the Annotation Guidelines-based Knowledge Augmentation (AGKA) approach to improve LLMs. AGKA employs GPT 4.0 to retrieve label definition knowledge from annotation guidelines, and then applies the random under-sampler to select a few typical examples. Subsequently, we conduct a systematic evaluation benchmark of LEC, which includes six LEC datasets covering behavior classification (question and urgency level), emotion classification (binary and epistemic emotion), and cognition classification (opinion and cognitive presence). The study results demonstrate that AGKA can enhance non-fine-tuned LLMs, particularly GPT 4.0 and Llama 3 70B. GPT 4.0 with AGKA few-shot outperforms full-shot fine-tuned models such as BERT and RoBERTa on simple binary classification datasets. However, GPT 4.0 lags in multi-class tasks that require a deep understanding of complex semantic information. Notably, Llama 3 70B with AGKA is a promising combination based on open-source LLM, because its performance is on par with closed-source GPT 4.0 with AGKA. In addition, LLMs struggle to distinguish between labels with similar names in multi-class classification.
In this paper, our goal is to generate synthetic data for heterogeneous (mixed-type) tabular datasets with high machine learning utility (MLu). Since the MLu performance depends on accurately approximating the conditional distributions, we focus on devising a synthetic data generation method based on conditional distribution estimation. We introduce MaCoDE by redefining the consecutive multi-class classification task of Masked Language Modeling (MLM) as histogram-based non-parametric conditional density estimation. Our approach enables the estimation of conditional densities across arbitrary combinations of target and conditional variables. We bridge the theoretical gap between distributional learning and MLM by demonstrating that minimizing the orderless multi-class classification loss leads to minimizing the total variation distance between conditional distributions. To validate our proposed model, we evaluate its performance in synthetic data generation across 10 real-world datasets, demonstrating its ability to adjust data privacy levels easily without re-training. Additionally, since masked input tokens in MLM are analogous to missing data, we further assess its effectiveness in handling training datasets with missing values, including multiple imputations of the missing entries.
Graph hypernetworks (GHNs), constructed by combining graph neural networks (GNNs) with hypernetworks (HNs), leverage relational data across various domains such as neural architecture search, molecular property prediction and federated learning. Despite GNNs and HNs being individually successful, we show that GHNs present problems compromising their performance, such as over-smoothing and heterophily. Moreover, we cannot apply GHNs directly to personalized federated learning (PFL) scenarios, where a priori client relation graph may be absent, private, or inaccessible. To mitigate these limitations in the context of PFL, we propose a novel class of HNs, sheaf hypernetworks (SHNs), which combine cellular sheaf theory with HNs to improve parameter sharing for PFL. We thoroughly evaluate SHNs across diverse PFL tasks, including multi-class classification, traffic and weather forecasting. Additionally, we provide a methodology for constructing client relation graphs in scenarios where such graphs are unavailable. We show that SHNs consistently outperform existing PFL solutions in complex non-IID scenarios. While the baselines' performance fluctuates depending on the task, SHNs show improvements of up to 2.7% in accuracy and 5.3% in lower mean squared error over the best-performing baseline.
Domain adaptation aims to use training data from one or multiple source domains to learn a hypothesis that can be generalized to a different, but related, target domain. As such, having a reliable measure for evaluating the discrepancy of both marginal and conditional distributions is crucial. We introduce Cauchy-Schwarz (CS) divergence to the problem of unsupervised domain adaptation (UDA). The CS divergence offers a theoretically tighter generalization error bound than the popular Kullback-Leibler divergence. This holds for the general case of supervised learning, including multi-class classification and regression. Furthermore, we illustrate that the CS divergence enables a simple estimator on the discrepancy of both marginal and conditional distributions between source and target domains in the representation space, without requiring any distributional assumptions. We provide multiple examples to illustrate how the CS divergence can be conveniently used in both distance metric- or adversarial training-based UDA frameworks, resulting in compelling performance.
In the complex landscape of hematologic samples such as peripheral blood or bone marrow derived from flow cytometry (FC) data, cell-level prediction presents profound challenges. This work explores injecting hierarchical prior knowledge into graph neural networks (GNNs) for single-cell multi-class classification of tabular cellular data. By representing the data as graphs and encoding hierarchical relationships between classes, we propose our hierarchical plug-in method to be applied to several GNN models, namely, FCHC-GNN, and effectively designed to capture neighborhood information crucial for single-cell FC domain. Extensive experiments on our cohort of 19 distinct patients, demonstrate that incorporating hierarchical biological constraints boosts performance significantly across multiple metrics compared to baseline GNNs without such priors. The proposed approach highlights the importance of structured inductive biases for gaining improved generalization in complex biological prediction tasks.
Deep neural networks (DNNs) exhibit a surprising structure in their final layer known as neural collapse (NC), and a growing body of works has currently investigated the propagation of neural collapse to earlier layers of DNNs -- a phenomenon called deep neural collapse (DNC). However, existing theoretical results are restricted to special cases: linear models, only two layers or binary classification. In contrast, we focus on non-linear models of arbitrary depth in multi-class classification and reveal a surprising qualitative shift. As soon as we go beyond two layers or two classes, DNC stops being optimal for the deep unconstrained features model (DUFM) -- the standard theoretical framework for the analysis of collapse. The main culprit is a low-rank bias of multi-layer regularization schemes: this bias leads to optimal solutions of even lower rank than the neural collapse. We support our theoretical findings with experiments on both DUFM and real data, which show the emergence of the low-rank structure in the solution found by gradient descent.
In this study, we explore the potential of using quantum natural language processing (QNLP) to inverse design metal-organic frameworks (MOFs) with targeted properties. Specifically, by analyzing 450 hypothetical MOF structures consisting of 3 topologies, 10 metal nodes and 15 organic ligands, we categorize these structures into four distinct classes for pore volume and $CO_{2}$ Henry's constant values. We then compare various QNLP models (i.e. the bag-of-words, DisCoCat (Distributional Compositional Categorical), and sequence-based models) to identify the most effective approach to process the MOF dataset. Using a classical simulator provided by the IBM Qiskit, the bag-of-words model is identified to be the optimum model, achieving validation accuracies of 88.6% and 78.0% for binary classification tasks on pore volume and $CO_{2}$ Henry's constant, respectively. Further, we developed multi-class classification models tailored to the probabilistic nature of quantum circuits, with average test accuracies of 92% and 80% across different classes for pore volume and $CO_{2}$ Henry's constant datasets. Finally, the performance of generating MOF with target properties showed accuracies of 93.5% for pore volume and 87% for $CO_{2}$ Henry's constant, respectively. Although our investigation covers only a fraction of the vast MOF search space, it marks a promising first step towards using quantum computing for materials design, offering a new perspective through which to explore the complex landscape of MOFs.