Multitask learning is a widely used paradigm for training models on diverse tasks, with applications ranging from graph neural networks to language model fine-tuning. Since tasks may interfere with each other, a key notion for modeling their relationships is task affinity. This includes pairwise task affinity, computed among pairs of tasks, and higher-order affinity, computed among subsets of tasks. Naively computing either of them requires repeatedly training on data from various task combinations, which is computationally intensive. We present a new algorithm Grad-TAG that can estimate task affinities without this repeated training. The key idea of Grad-TAG is to train a "base" model for all tasks and then use a linearization technique to estimate the loss of the model for a specific task combination. The linearization works by computing a gradient-based approximation of the loss, using low-dimensional projections of gradients as features in a logistic regression to predict labels for the task combination. We show that the linearized model can provably approximate the loss when the gradient-based approximation is accurate, and also empirically verify that on several large models. Then, given the estimated task affinity, we design a semi-definite program for clustering similar tasks by maximizing the average density of clusters. We evaluate Grad-TAG's performance across seven datasets, including multi-label classification on graphs, and instruction fine-tuning of language models. Our task affinity estimates are within 2.7% distance to the true affinities while needing only 3% of FLOPs in full training. On our largest graph with 21M edges and 500 labeling tasks, our algorithm delivers estimates within 5% distance to the true affinities, using only 112 GPU hours. Our results show that Grad-TAG achieves excellent performance and runtime tradeoffs compared to existing approaches.

The clustering of categorical data is a common and important task in computer science, offering profound implications across a spectrum of applications. Unlike purely numerical data, categorical data often lack inherent ordering as in nominal data, or have varying levels of order as in ordinal data, thus requiring specialized methodologies for efficient organization and analysis. This review provides a comprehensive synthesis of categorical data clustering in the past twenty-five years, starting from the introduction of K-modes. It elucidates the pivotal role of categorical data clustering in diverse fields such as health sciences, natural sciences, social sciences, education, engineering and economics. Practical comparisons are conducted for algorithms having public implementations, highlighting distinguishing clustering methodologies and revealing the performance of recent algorithms on several benchmark categorical datasets. Finally, challenges and opportunities in the field are discussed.

Recent years have witnessed great success in handling graph-related tasks with Graph Neural Networks (GNNs). However, most existing GNNs are based on message passing to perform feature aggregation and transformation, where the structural information is explicitly involved in the forward propagation by coupling with node features through graph convolution at each layer. As a result, subtle feature noise or structure perturbation may cause severe error propagation, resulting in extremely poor robustness. In this paper, we rethink the roles played by graph structural information in graph data training and identify that message passing is not the only path to modeling structural information. Inspired by this, we propose a simple but effective Graph Structure Self-Contrasting (GSSC) framework that learns graph structural information without message passing. The proposed framework is based purely on Multi-Layer Perceptrons (MLPs), where the structural information is only implicitly incorporated as prior knowledge to guide the computation of supervision signals, substituting the explicit message propagation as in GNNs. Specifically, it first applies structural sparsification to remove potentially uninformative or noisy edges in the neighborhood, and then performs structural self-contrasting in the sparsified neighborhood to learn robust node representations. Finally, structural sparsification and self-contrasting are formulated as a bi-level optimization problem and solved in a unified framework. Extensive experiments have qualitatively and quantitatively demonstrated that the GSSC framework can produce truly encouraging performance with better generalization and robustness than other leading competitors.

In the Naive Bayes classification model the class conditional densities are estimated as the products of their marginal densities along the cardinal basis directions. We study the problem of obtaining an alternative basis for this factorisation with the objective of enhancing the discriminatory power of the associated classification model. We formulate the problem as a projection pursuit to find the optimal linear projection on which to perform classification. Optimality is determined based on the multinomial likelihood within which probabilities are estimated using the Naive Bayes factorisation of the projected data. Projection pursuit offers the added benefits of dimension reduction and visualisation. We discuss an intuitive connection with class conditional independent components analysis, and show how this is realised visually in practical applications. The performance of the resulting classification models is investigated using a large collection of (162) publicly available benchmark data sets and in comparison with relevant alternatives. We find that the proposed approach substantially outperforms other popular probabilistic discriminant analysis models and is highly competitive with Support Vector Machines.

Lighthouses play a crucial role in ensuring maritime safety by signaling hazardous areas such as dangerous coastlines, shoals, reefs, and rocks, along with aiding harbor entries and aerial navigation. This is achieved through the use of photoresistor sensors that activate or deactivate based on the time of day. However, a significant issue is the potential malfunction of these sensors, leading to the gradual misalignment of the light's operational timing. This paper introduces an innovative machine learning-based approach for automatically detecting such malfunctions. We evaluate four distinct algorithms: decision trees, random forest, extreme gradient boosting, and multi-layer perceptron. Our findings indicate that the multi-layer perceptron is the most effective, capable of detecting timing discrepancies as small as 10-15 minutes. This accuracy makes it a highly efficient tool for automating the detection of faults in lighthouse light sensors.

Machine learning (ML) has seen exponential growth in recent years, finding applications in various domains such as finance, medicine, and cybersecurity. Malware remains a significant threat to modern computing, frequently used by attackers to compromise systems. While numerous machine learning-based approaches for malware detection achieve high performance, they often lack transparency and fail to explain their predictions. This is a critical drawback in malware analysis, where understanding the rationale behind detections is essential for security analysts to verify and disseminate information. Explainable AI (XAI) addresses this issue by maintaining high accuracy while producing models that provide clear, understandable explanations for their decisions. In this survey, we comprehensively review the current state-of-the-art ML-based malware detection techniques and popular XAI approaches. Additionally, we discuss research implementations and the challenges of explainable malware analysis. This theoretical survey serves as an entry point for researchers interested in XAI applications in malware detection. By analyzing recent advancements in explainable malware analysis, we offer a broad overview of the progress in this field, positioning our work as the first to extensively cover XAI methods for malware classification and detection.

This study presents an explainable artificial intelligent (XAI) model for predicting pile driving vibrations in Bangkok's soft clay subsoil. A deep neural network was developed using a dataset of 1,018 real-world pile driving measurements, encompassing variations in pile dimensions, hammer characteristics, sensor locations, and vibration measurement axes. The model achieved a mean absolute error (MAE) of 0.276, outperforming traditional empirical methods and other machine learning approaches such as XGBoost and CatBoost. SHapley Additive exPlanations (SHAP) analysis was employed to interpret the model's predictions, revealing complex relationships between input features and peak particle velocity (PPV). Distance from the pile driving location emerged as the most influential factor, followed by hammer weight and pile size. Non-linear relationships and threshold effects were observed, providing new insights into vibration propagation in soft clay. A web-based application was developed to facilitate adoption by practicing engineers, bridging the gap between advanced machine learning techniques and practical engineering applications. This research contributes to the field of geotechnical engineering by offering a more accurate and nuanced approach to predicting pile driving vibrations, with implications for optimizing construction practices and mitigating environmental impacts in urban areas. The model and its source code are publicly available, promoting transparency and reproducibility in geotechnical research.

The exponential growth in data sizes and storage costs has brought considerable challenges to the data science community, requiring solutions to run learning methods on such data. While machine learning has scaled to achieve predictive accuracy in big data settings, statistical inference and uncertainty quantification tools are still lagging. Priority scientific fields collect vast data to understand phenomena typically studied with statistical methods like regression. In this setting, regression parameter estimation can benefit from efficient computational procedures, but the main challenge lies in computing error process parameters with complex covariance structures. Identifying and estimating these structures is essential for inference and often used for uncertainty quantification in machine learning with Gaussian Processes. However, estimating these structures becomes burdensome as data scales, requiring approximations that compromise the reliability of outputs. These approximations are even more unreliable when complexities like long-range dependencies or missing data are present. This work defines and proves the statistical properties of the Generalized Method of Wavelet Moments with Exogenous variables (GMWMX), a highly scalable, stable, and statistically valid method for estimating and delivering inference for linear models using stochastic processes in the presence of data complexities like latent dependence structures and missing data. Applied examples from Earth Sciences and extensive simulations highlight the advantages of the GMWMX.

The $k$-nearest neighbor ($k$-NN) algorithm is one of the most popular methods for nonparametric classification. However, a relevant limitation concerns the definition of the number of neighbors $k$. This parameter exerts a direct impact on several properties of the classifier, such as the bias-variance tradeoff, smoothness of decision boundaries, robustness to noise, and class imbalance handling. In the present paper, we introduce a new adaptive $k$-nearest neighbours ($kK$-NN) algorithm that explores the local curvature at a sample to adaptively defining the neighborhood size. The rationale is that points with low curvature could have larger neighborhoods (locally, the tangent space approximates well the underlying data shape), whereas points with high curvature could have smaller neighborhoods (locally, the tangent space is a loose approximation). We estimate the local Gaussian curvature by computing an approximation to the local shape operator in terms of the local covariance matrix as well as the local Hessian matrix. Results on many real-world datasets indicate that the new $kK$-NN algorithm yields superior balanced accuracy compared to the established $k$-NN method and also another adaptive $k$-NN algorithm. This is particularly evident when the number of samples in the training data is limited, suggesting that the $kK$-NN is capable of learning more discriminant functions with less data considering many relevant cases.

We develop a general framework for clustering and distribution matching problems with bandit feedback. We consider a $K$-armed bandit model where some subset of $K$ arms is partitioned into $M$ groups. Within each group, the random variable associated to each arm follows the same distribution on a finite alphabet. At each time step, the decision maker pulls an arm and observes its outcome from the random variable associated to that arm. Subsequent arm pulls depend on the history of arm pulls and their outcomes. The decision maker has no knowledge of the distributions of the arms or the underlying partitions. The task is to devise an online algorithm to learn the underlying partition of arms with the least number of arm pulls on average and with an error probability not exceeding a pre-determined value $\delta$. Several existing problems fall under our general framework, including finding $M$ pairs of arms, odd arm identification, and $M$-ary clustering of $K$ arms belong to our general framework. We derive a non-asymptotic lower bound on the average number of arm pulls for any online algorithm with an error probability not exceeding $\delta$. Furthermore, we develop a computationally-efficient online algorithm based on the Track-and-Stop method and Frank--Wolfe algorithm, and show that the average number of arm pulls of our algorithm asymptotically matches that of the lower bound. Our refined analysis also uncovers a novel bound on the speed at which the average number of arm pulls of our algorithm converges to the fundamental limit as $\delta$ vanishes.