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Exploring the missing values is an essential but challenging issue due to the complex latent spatio-temporal correlation and dynamic nature of time series. Owing to the outstanding performance in dealing with structure learning potentials, Graph Neural Networks (GNNs) and Recurrent Neural Networks (RNNs) are often used to capture such complex spatio-temporal features in multivariate time series. However, these data-driven models often fail to capture the essential spatio-temporal relationships when significant signal corruption occurs. Additionally, calculating the high-order neighbor nodes in these models is of high computational complexity. To address these problems, we propose a novel higher-order spatio-temporal physics-incorporated GNN (HSPGNN). Firstly, the dynamic Laplacian matrix can be obtained by the spatial attention mechanism. Then, the generic inhomogeneous partial differential equation (PDE) of physical dynamic systems is used to construct the dynamic higher-order spatio-temporal GNN to obtain the missing time series values. Moreover, we estimate the missing impact by Normalizing Flows (NF) to evaluate the importance of each node in the graph for better explainability. Experimental results on four benchmark datasets demonstrate the effectiveness of HSPGNN and the superior performance when combining various order neighbor nodes. Also, graph-like optical flow, dynamic graphs, and missing impact can be obtained naturally by HSPGNN, which provides better dynamic analysis and explanation than traditional data-driven models. Our code is available at https://github.com/gorgen2020/HSPGNN., Comment: 18 pages, 7 figures, CIKM 2024

Evolutionary Algorithms (EAs) are often challenging to apply in real-world settings since evolutionary computations involve a large number of evaluations of a typically expensive fitness function. For example, an evaluation could involve training a new machine learning model. An approximation (also known as meta-model or a surrogate) of the true function can be used in such applications to alleviate the computation cost. In this paper, we propose a two-stage surrogate-assisted evolutionary approach to address the computational issues arising from using Genetic Algorithm (GA) for feature selection in a wrapper setting for large datasets. We define 'Approximation Usefulness' to capture the necessary conditions to ensure correctness of the EA computations when an approximation is used. Based on this definition, we propose a procedure to construct a lightweight qualitative meta-model by the active selection of data instances. We then use a meta-model to carry out the feature selection task. We apply this procedure to the GA-based algorithm CHC (Cross generational elitist selection, Heterogeneous recombination and Cataclysmic mutation) to create a Qualitative approXimations variant, CHCQX. We show that CHCQX converges faster to feature subset solutions of significantly higher accuracy (as compared to CHC), particularly for large datasets with over 100K instances. We also demonstrate the applicability of the thinking behind our approach more broadly to Swarm Intelligence (SI), another branch of the Evolutionary Computation (EC) paradigm with results of PSOQX, a qualitative approximation adaptation of the Particle Swarm Optimization (PSO) method. A GitHub repository with the complete implementation is available.

This paper investigates how various randomization techniques impact Deep Neural Networks (DNNs). Randomization, like weight noise and dropout, aids in reducing overfitting and enhancing generalization, but their interactions are poorly understood. The study categorizes randomness techniques into four types and proposes new methods: adding noise to the loss function and random masking of gradient updates. Using Particle Swarm Optimizer (PSO) for hyperparameter optimization, it explores optimal configurations across MNIST, FASHION-MNIST, CIFAR10, and CIFAR100 datasets. Over 30,000 configurations are evaluated, revealing data augmentation and weight initialization randomness as main performance contributors. Correlation analysis shows different optimizers prefer distinct randomization types. The complete implementation and dataset are available on GitHub.

To meet the urgent requirements for the climate change mitigation, several proactive measures of energy efficiency have been implemented in maritime industry. Many of these practices depend highly on the onboard data of vessel's operation and environmental conditions. In this paper, a high resolution onboard data from passenger vessels in short-sea shipping (SSS) have been collected and preprocessed. We first investigated the available data to deploy it effectively to model the physics of the vessel, and hence the vessel performance. Since in SSS, the weather measurements and forecasts might have not been in temporal and spatial resolutions that accurately representing the actual environmental conditions. Then, We proposed a data-driven modeling approach for vessel energy efficiency. This approach addresses the challenges of data representation and energy modeling by combining and aggregating data from multiple sources and seamlessly integrates explainable artificial intelligence (XAI) to attain clear insights about the energy efficiency for a vessel in SSS. After that, the developed model of energy efficiency has been utilized in developing a framework for optimizing the vessel voyage to minimize the fuel consumption and meeting the constraint of arrival time. Moreover, we developed a spatial clustering approach for labeling the vessel paths to detect the paths for vessels with operating routes of repeatable and semi-repeatable paths., Comment: 20 pages, 28 figures, 9 tables, Keywords: Short-sea shipping, energy efficiency, spatiotemporal aggregation, voyage speed optimization, Time-series analysis, spatial clustering, vessel path identification, maritime transportation. arXiv admin note: substantial text overlap with arXiv:2402.00698, arXiv:2403.05778

This paper addresses the challenge of identifying the paths for vessels with operating routes of repetitive paths, partially repetitive paths, and new paths. We propose a spatial clustering approach for labeling the vessel paths by using only position information. We develop a path clustering framework employing two methods: a distance-based path modeling and a likelihood estimation method. The former enhances the accuracy of path clustering through the integration of unsupervised machine learning techniques, while the latter focuses on likelihood-based path modeling and introduces segmentation for a more detailed analysis. The result findings highlight the superior performance and efficiency of the developed approach, as both methods for clustering vessel paths into five classes achieve a perfect F1-score. The approach aims to offer valuable insights for route planning, ultimately contributing to improving safety and efficiency in maritime transportation., Comment: Keywords: Spatial clustering, vessel path identification, maritime transportation, average nearest neighbor distance, hierarchical clustering, likelihood estimation. This preprint has 12 pages, 14 figures, 2 tables

Several approaches have been developed for improving the ship energy efficiency, thereby reducing operating costs and ensuring compliance with climate change mitigation regulations. Many of these approaches will heavily depend on measured data from onboard IoT devices, including operational and environmental information, as well as external data sources for additional navigational data. In this paper, we develop a framework that implements time-series analysis techniques to optimize the vessel's speed profile for improving the vessel's energy efficiency. We present a case study involving a real-world data from a passenger vessel that was collected over a span of 15 months in the south of Sweden. The results indicate that the implemented models exhibit a range of outcomes and adaptability across different scenarios. The findings highlight the effectiveness of time-series analysis approach for optimizing vessel voyages within the context of constrained landscapes, as often seen in short-sea shipping., Comment: 8 pages, 7 figures and four tables

This paper investigates the issue of privacy in a learning scenario where users share knowledge for a recommendation task. Our study contributes to the growing body of research on privacy-preserving machine learning and underscores the need for tailored privacy techniques that address specific attack patterns rather than relying on one-size-fits-all solutions. We use the latent bandit setting to evaluate the trade-off between privacy and recommender performance by employing various aggregation strategies, such as averaging, nearest neighbor, and clustering combined with noise injection. More specifically, we simulate a linkage attack scenario leveraging publicly available auxiliary information acquired by the adversary. Our results on three open real-world datasets reveal that adding noise using the Laplace mechanism to an individual user's data record is a poor choice. It provides the highest regret for any noise level, relative to de-anonymization probability and the ADS metric. Instead, one should combine noise with appropriate aggregation strategies. For example, using averages from clusters of different sizes provides flexibility not achievable by varying the amount of noise alone. Generally, no single aggregation strategy can consistently achieve the optimum regret for a given desired level of privacy.

Federated Learning (FL) allows several clients to construct a common global machine-learning model without having to share their data. FL, however, faces the challenge of statistical heterogeneity between the client's data, which degrades performance and slows down the convergence toward the global model. In this paper, we provide theoretical proof that minimizing heterogeneity between clients facilitates the convergence of a global model for every single client. This becomes particularly important under empirical concept shifts among clients, rather than merely considering imbalanced classes, which have been studied until now. Therefore, we propose a method for knowledge transfer between clients where the server trains client-specific generators. Each generator generates samples for the corresponding client to remove the conflict with other clients' models. Experiments conducted on synthetic and real data, along with a theoretical study, support the effectiveness of our method in constructing a well-generalizable global model by reducing the conflict between local models.

Explainable Artificial Intelligence (XAI) fills the role of a critical interface fostering interactions between sophisticated intelligent systems and diverse individuals, including data scientists, domain experts, end-users, and more. It aids in deciphering the intricate internal mechanisms of ``black box'' Machine Learning (ML), rendering the reasons behind their decisions more understandable. However, current research in XAI primarily focuses on two aspects; ways to facilitate user trust, or to debug and refine the ML model. The majority of it falls short of recognising the diverse types of explanations needed in broader contexts, as different users and varied application areas necessitate solutions tailored to their specific needs. One such domain is Predictive Maintenance (PdM), an exploding area of research under the Industry 4.0 \& 5.0 umbrella. This position paper highlights the gap between existing XAI methodologies and the specific requirements for explanations within industrial applications, particularly the Predictive Maintenance field. Despite explainability's crucial role, this subject remains a relatively under-explored area, making this paper a pioneering attempt to bring relevant challenges to the research community's attention. We provide an overview of predictive maintenance tasks and accentuate the need and varying purposes for corresponding explanations. We then list and describe XAI techniques commonly employed in the literature, discussing their suitability for PdM tasks. Finally, to make the ideas and claims more concrete, we demonstrate XAI applied in four specific industrial use cases: commercial vehicles, metro trains, steel plants, and wind farms, spotlighting areas requiring further research., Comment: 51 pages, 9 figures

A fundamental feature of human intelligence is the ability to infer high-level abstractions from low-level sensory data. An essential component of such inference is the ability to discover modularized generative mechanisms. Despite many efforts to use statistical learning and pattern recognition for finding disentangled factors, arguably human intelligence remains unmatched in this area. In this paper, we investigate a problem of learning, in a fully unsupervised manner, the inverse of a set of independent mechanisms from distorted data points. We postulate, and justify this claim with experimental results, that an important weakness of existing machine learning solutions lies in the insufficiency of cross-module diversification. Addressing this crucial discrepancy between human and machine intelligence is an important challenge for pattern recognition systems. To this end, our work proposes an unsupervised method that discovers and disentangles a set of independent mechanisms from unlabeled data, and learns how to invert them. A number of experts compete against each other for individual data points in an adversarial setting: one that best inverses the (unknown) generative mechanism is the winner. We demonstrate that introducing an orthogonalization layer into the expert architectures enforces additional diversity in the outputs, leading to significantly better separability. Moreover, we propose a procedure for relocating data points between experts to further prevent any one from claiming multiple mechanisms. We experimentally illustrate that these techniques allow discovery and modularization of much less pronounced transformations, in addition to considerably faster convergence.

Graph neural networks (GNNs), especially dynamic GNNs, have become a research hotspot in spatio-temporal forecasting problems. While many dynamic graph construction methods have been developed, relatively few of them explore the causal relationship between neighbour nodes. Thus, the resulting models lack strong explainability for the causal relationship between the neighbour nodes of the dynamically generated graphs, which can easily lead to a risk in subsequent decisions. Moreover, few of them consider the uncertainty and noise of dynamic graphs based on the time series datasets, which are ubiquitous in real-world graph structure networks. In this paper, we propose a novel Dynamic Diffusion-Variational Graph Neural Network (DVGNN) for spatio-temporal forecasting. For dynamic graph construction, an unsupervised generative model is devised. Two layers of graph convolutional network (GCN) are applied to calculate the posterior distribution of the latent node embeddings in the encoder stage. Then, a diffusion model is used to infer the dynamic link probability and reconstruct causal graphs in the decoder stage adaptively. The new loss function is derived theoretically, and the reparameterization trick is adopted in estimating the probability distribution of the dynamic graphs by Evidence Lower Bound during the backpropagation period. After obtaining the generated graphs, dynamic GCN and temporal attention are applied to predict future states. Experiments are conducted on four real-world datasets of different graph structures in different domains. The results demonstrate that the proposed DVGNN model outperforms state-of-the-art approaches and achieves outstanding Root Mean Squared Error result while exhibiting higher robustness. Also, by F1-score and probability distribution analysis, we demonstrate that DVGNN better reflects the causal relationship and uncertainty of dynamic graphs.

In the latent bandit problem, the learner has access to reward distributions and -- for the non-stationary variant -- transition models of the environment. The reward distributions are conditioned on the arm and unknown latent states. The goal is to use the reward history to identify the latent state, allowing for the optimal choice of arms in the future. The latent bandit setting lends itself to many practical applications, such as recommender and decision support systems, where rich data allows the offline estimation of environment models with online learning remaining a critical component. Previous solutions in this setting always choose the highest reward arm according to the agent's beliefs about the state, not explicitly considering the value of information-gathering arms. Such information-gathering arms do not necessarily provide the highest reward, thus may never be chosen by an agent that chooses the highest reward arms at all times. In this paper, we present a method for information-gathering in latent bandits. Given particular reward structures and transition matrices, we show that choosing the best arm given the agent's beliefs about the states incurs higher regret. Furthermore, we show that by choosing arms carefully, we obtain an improved estimation of the state distribution, and thus lower the cumulative regret through better arm choices in the future. We evaluate our method on both synthetic and real-world data sets, showing significant improvement in regret over state-of-the-art methods.

Feature selection is an intractable problem, therefore practical algorithms often trade off the solution accuracy against the computation time. In this paper, we propose a novel multi-stage feature selection framework utilizing multiple levels of approximations, or surrogates. Such a framework allows for using wrapper approaches in a much more computationally efficient way, significantly increasing the quality of feature selection solutions achievable, especially on large datasets. We design and evaluate a Surrogate-Assisted Genetic Algorithm (SAGA) which utilizes this concept to guide the evolutionary search during the early phase of exploration. SAGA only switches to evaluating the original function at the final exploitation phase. We prove that the run-time upper bound of SAGA surrogate-assisted stage is at worse equal to the wrapper GA, and it scales better for induction algorithms of high order of complexity in number of instances. We demonstrate, using 14 datasets from the UCI ML repository, that in practice SAGA significantly reduces the computation time compared to a baseline wrapper Genetic Algorithm (GA), while converging to solutions of significantly higher accuracy. Our experiments show that SAGA can arrive at near-optimal solutions three times faster than a wrapper GA, on average. We also showcase the importance of evolution control approach designed to prevent surrogates from misleading the evolutionary search towards false optima.

In contextual anomaly detection, an object is only considered anomalous within a specific context. Most existing methods for CAD use a single context based on a set of user-specified contextual features. However, identifying the right context can be very challenging in practice, especially in datasets, with a large number of attributes. Furthermore, in real-world systems, there might be multiple anomalies that occur in different contexts and, therefore, require a combination of several "useful" contexts to unveil them. In this work, we leverage active learning and ensembles to effectively detect complex contextual anomalies in situations where the true contextual and behavioral attributes are unknown. We propose a novel approach, called WisCon (Wisdom of the Contexts), that automatically creates contexts from the feature set. Our method constructs an ensemble of multiple contexts, with varying importance scores, based on the assumption that not all useful contexts are equally so. Experiments show that WisCon significantly outperforms existing baselines in different categories (i.e., active classifiers, unsupervised contextual and non-contextual anomaly detectors, and supervised classifiers) on seven datasets. Furthermore, the results support our initial hypothesis that there is no single perfect context that successfully uncovers all kinds of contextual anomalies, and leveraging the "wisdom" of multiple contexts is necessary.

Using hierarchies of classes is one of the standard methods to solve multi-class classification problems. In the literature, selecting the right hierarchy is considered to play a key role in improving classification performance. Although different methods have been proposed, there is still a lack of understanding of what makes one method to extract hierarchies perform better or worse. To this effect, we analyze and compare some of the most popular approaches to extracting hierarchies. We identify some common pitfalls that may lead practitioners to make misleading conclusions about their methods. In addition, to address some of these problems, we demonstrate that using random hierarchies is an appropriate benchmark to assess how the hierarchy's quality affects the classification performance. In particular, we show how the hierarchy's quality can become irrelevant depending on the experimental setup: when using powerful enough classifiers, the final performance is not affected by the quality of the hierarchy. We also show how comparing the effect of the hierarchies against non-hierarchical approaches might incorrectly indicate their superiority. Our results confirm that datasets with a high number of classes generally present complex structures in how these classes relate to each other. In these datasets, the right hierarchy can dramatically improve classification performance.

We propose a new sequential decision-making setting, combining key aspects of two established online learning problems with bandit feedback. The optimal action to play at any given moment is contingent on an underlying changing state which is not directly observable by the agent. Each state is associated with a context distribution, possibly corrupted, allowing the agent to identify the state. Furthermore, states evolve in a Markovian fashion, providing useful information to estimate the current state via state history. In the proposed problem setting, we tackle the challenge of deciding on which of the two sources of information the agent should base its arm selection. We present an algorithm that uses a referee to dynamically combine the policies of a contextual bandit and a multi-armed bandit. We capture the time-correlation of states through iteratively learning the action-reward transition model, allowing for efficient exploration of actions. Our setting is motivated by adaptive mobile health (mHealth) interventions. Users transition through different, time-correlated, but only partially observable internal states, determining their current needs. The side information associated with each internal state might not always be reliable, and standard approaches solely rely on the context risk of incurring high regret. Similarly, some users might exhibit weaker correlations between subsequent states, leading to approaches that solely rely on state transitions risking the same. We analyze our setting and algorithm in terms of regret lower bound and upper bounds and evaluate our method on simulated medication adherence intervention data and several real-world data sets, showing improved empirical performance compared to several popular algorithms.

The traditional paradigm for developing machine prognostics usually relies on generalization from data acquired in experiments under controlled conditions prior to deployment of the equipment. Detecting or predicting failures and estimating machine health in this way assumes that future field data will have a very similar distribution to the experiment data. However, many complex machines operate under dynamic environmental conditions and are used in many different ways. This makes collecting comprehensive data very challenging, and the assumption that pre-deployment data and post-deployment data follow very similar distributions is unlikely to hold. Transfer Learning (TL) refers to methods for transferring knowledge learned in one setting (the source domain) to another setting (the target domain). In this work, we present a TL method for predicting Remaining Useful Life (RUL) of equipment, under the assumption that labels are available only for the source domain and not the target domain. This setting corresponds to generalizing from a limited number of run-to-failure experiments performed prior to deployment into making prognostics with data coming from deployed equipment that is being used under multiple new operating conditions and experiencing previously unseen faults. We employ a deviation detection method, Consensus Self-Organizing Models (COSMO), to create transferable features for building the RUL regression model. These features capture how different target equipment is in comparison to its peers. The efficiency of the proposed TL method is demonstrated using the NASA Turbofan Engine Degradation Simulation Data Set. Models using the COSMO transferable features show better performance than other methods on predicting RUL when the target domain is more complex than the source domain.

In recent years, there has been increased research interest in detecting anomalies in temporal streaming data. A variety of algorithms have been developed in the data mining community, which can be divided into two categories (i.e., general and ad hoc). In most cases, general approaches assume the one-size-fits-all solution model where a single anomaly detector can detect all anomalies in any domain. To date, there exists no single general method that has been shown to outperform the others across different anomaly types, use cases and datasets. In this paper, we propose SAFARI, a general framework formulated by abstracting and unifying the fundamental tasks in streaming anomaly detection, which provides a flexible and extensible anomaly detection procedure to overcome the limitations of one-size-fits-all solutions. SAFARI helps to facilitate more elaborate algorithm comparisons by allowing us to isolate the effects of shared and unique characteristics of different algorithms on detection performance. Using SAFARI, we have implemented various anomaly detectors and identified a research gap that motivates us to propose a novel learning strategy in this work. We conducted an extensive evaluation study of 20 detectors that are composed using SAFARI and compared their performances using real-world benchmark datasets with different properties. The results indicate that there is no single superior detector that works well for every case, proving our hypothesis that "there is no free lunch" in the streaming anomaly detection world. Finally, we discuss the benefits and drawbacks of each method in-depth and draw a set of conclusions to guide future users of SAFARI., Comment: Submitted to Expert Systems with Applications

A consequence of the fragmented and siloed healthcare landscape is that patient care (and data) is split along multitude of different facilities and computer systems and enabling interoperability between these systems is hard. The lack interoperability not only hinders continuity of care and burdens providers, but also hinders effective application of Machine Learning (ML) algorithms. Thus, most current ML algorithms, designed to understand patient care and facilitate clinical decision-support, are trained on limited datasets. This approach is analogous to the Newtonian paradigm of Reductionism in which a system is broken down into elementary components and a description of the whole is formed by understanding those components individually. A key limitation of the reductionist approach is that it ignores the component-component interactions and dynamics within the system which are often of prime significance in understanding the overall behaviour of complex adaptive systems (CAS). Healthcare is a CAS. Though the application of ML on health data have shown incremental improvements for clinical decision support, ML has a much a broader potential to restructure care delivery as a whole and maximize care value. However, this ML potential remains largely untapped: primarily due to functional limitations of Electronic Health Records (EHR) and the inability to see the healthcare system as a whole. This viewpoint (i) articulates the healthcare as a complex system which has a biological and an organizational perspective, (ii) motivates with examples, the need of a system's approach when addressing healthcare challenges via ML and, (iii) emphasizes to unleash EHR functionality - while duly respecting all ethical and legal concerns - to reap full benefits of ML., Comment: ACM SIGKDD Workshop on Epidemiology meets Data Mining and Knowledge Discovery (epiDAMIK), August 2019 Anchorage, USA

Understanding the heat usage of customers is crucial for effective district heating operations and management. Unfortunately, existing knowledge about customers and their heat load behaviors is quite scarce. Most previous studies are limited to small-scale analyses that are not representative enough to understand the behavior of the overall network. In this work, we propose a data-driven approach that enables large-scale automatic analysis of heat load patterns in district heating networks without requiring prior knowledge. Our method clusters the customer profiles into different groups, extracts their representative patterns, and detects unusual customers whose profiles deviate significantly from the rest of their group. Using our approach, we present the first large-scale, comprehensive analysis of the heat load patterns by conducting a case study on many buildings in six different customer categories connected to two district heating networks in the south of Sweden. The 1222 buildings had a total floor space of 3.4 million square meters and used 1540 TJ heat during 2016. The results show that the proposed method has a high potential to be deployed and used in practice to analyze and understand customers' heat-use habits.