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The demand of computational resources for the modeling process increases as the scale of the datasets does, since traditional approaches for regression involve inverting huge data matrices. The main problem relies on the large data size, and so a standard approach is subsampling that aims at obtaining the most informative portion of the big data. In the current paper, we explore an existing approach based on leverage scores, proposed for subdata selection in linear model discrimination. Our objective is to propose the aforementioned approach for selecting the most informative data points to estimate unknown parameters in both the first-order linear model and a model with interactions. We conclude that the approach based on leverage scores improves existing approaches, providing simulation experiments as well as a real data application.

Recent breakthroughs in synthetic data generation approaches made it possible to produce highly photorealistic images which are hardly distinguishable from real ones. Furthermore, synthetic generation pipelines have the potential to generate an unlimited number of images. The combination of high photorealism and scale turn synthetic data into a promising candidate for improving various machine learning (ML) pipelines. Thus far, a large body of research in this field has focused on using synthetic images for training, by augmenting and enlarging training data. In contrast to using synthetic data for training, in this work we explore whether synthetic data can be beneficial for model selection. Considering the task of image classification, we demonstrate that when data is scarce, synthetic data can be used to replace the held out validation set, thus allowing to train on a larger dataset. We also introduce a novel method to calibrate the synthetic error estimation to fit that of the real domain. We show that such calibration significantly improves the usefulness of synthetic data for model selection.

Whole slide image (WSI) classification is an essential task in computational pathology. Despite the recent advances in multiple instance learning (MIL) for WSI classification, accurate classification of WSIs remains challenging due to the extreme imbalance between the positive and negative instances in bags, and the complicated pre-processing to fuse multi-scale information of WSI. To this end, we propose a novel multi-scale prototypical Transformer (MSPT) for WSI classification, which includes a prototypical Transformer (PT) module and a multi-scale feature fusion module (MFFM). The PT is developed to reduce redundant instances in bags by integrating prototypical learning into the Transformer architecture. It substitutes all instances with cluster prototypes, which are then re-calibrated through the self-attention mechanism of the Trans-former. Thereafter, an MFFM is proposed to fuse the clustered prototypes of different scales, which employs MLP-Mixer to enhance the information communication between prototypes. The experimental results on two public WSI datasets demonstrate that the proposed MSPT outperforms all the compared algorithms, suggesting its potential applications.

A novel method for noise reduction in the setting of curve time series with error contamination is proposed, based on extending the framework of functional principal component analysis (FPCA). We employ the underlying, finite-dimensional dynamics of the functional time series to separate the serially dependent dynamical part of the observed curves from the noise. Upon identifying the subspaces of the signal and idiosyncratic components, we construct a projection of the observed curve time series along the noise subspace, resulting in an estimate of the underlying denoised curves. This projection is optimal in the sense that it minimizes the mean integrated squared error. By applying our method to similated and real data, we show the denoising estimator is consistent and outperforms existing denoising techniques. Furthermore, we show it can be used as a pre-processing step to improve forecasting.

High-precision modeling of systems is one of the main areas of industrial data analysis. Models of systems, their digital twins, are used to predict their behavior under various conditions. We have developed several models of a storage system using machine learning-based generative models. The system consists of several components: hard disk drive (HDD) and solid-state drive (SSD) storage pools with different RAID schemes and cache. Each storage component is represented by a probabilistic model that describes the probability distribution of the component performance in terms of IOPS and latency, depending on their configuration and external data load parameters. The results of the experiments demonstrate the errors of 4-10 % for IOPS and 3-16 % for latency predictions depending on the components and models of the system. The predictions show up to 0.99 Pearson correlation with Little's law, which can be used for unsupervised reliability checks of the models. In addition, we present novel data sets that can be used for benchmarking regression algorithms, conditional generative models, and uncertainty estimation methods in machine learning.

Synthetic time series are often used in practical applications to augment the historical time series dataset for better performance of machine learning algorithms, amplify the occurrence of rare events, and also create counterfactual scenarios described by the time series. Distributional-similarity (which we refer to as realism) as well as the satisfaction of certain numerical constraints are common requirements in counterfactual time series scenario generation requests. For instance, the US Federal Reserve publishes synthetic market stress scenarios given by the constrained time series for financial institutions to assess their performance in hypothetical recessions. Existing approaches for generating constrained time series usually penalize training loss to enforce constraints, and reject non-conforming samples. However, these approaches would require re-training if we change constraints, and rejection sampling can be computationally expensive, or impractical for complex constraints. In this paper, we propose a novel set of methods to tackle the constrained time series generation problem and provide efficient sampling while ensuring the realism of generated time series. In particular, we frame the problem using a constrained optimization framework and then we propose a set of generative methods including ``GuidedDiffTime'', a guided diffusion model to generate realistic time series. Empirically, we evaluate our work on several datasets for financial and energy data, where incorporating constraints is critical. We show that our approaches outperform existing work both qualitatively and quantitatively. Most importantly, we show that our ``GuidedDiffTime'' model is the only solution where re-training is not necessary for new constraints, resulting in a significant carbon footprint reduction.

In the past decade, the modeling community has produced many feature-rich modeling editors and tool prototypes not only for modeling standards but particularly also for many domain-specific languages. More recently, however, web-based modeling tools have started to become increasingly popular for visualizing and editing models adhering to such languages in the industry. This new generation of modeling tools is built with web technologies and offers much more flexibility when it comes to their user experience, accessibility, reuse, and deployment options. One of the technologies behind this new generation of tools is the Graphical Language Server Platform (GLSP), an open-source client-server framework hosted under the Eclipse foundation, which allows tool providers to build modern diagram editors for modeling tools that run in the browser or can be easily integrated into IDEs such as Eclipse, VS Code, or Eclipse Theia. In this paper, we describe our vision of more flexible modeling tools which is based on our experiences from developing several GLSP-based modeling tools. With that, we aim at sparking a new line of research and innovation in the modeling community for modeling tool development practices and to explore opportunities, advantages, or limitations of web-based modeling tools, as well as bridge the gap between scientific tool prototypes and industrial tools being used in practice.

Semantic similarity measures are widely used in natural language processing to catalyze various computer-related tasks. However, no single semantic similarity measure is the most appropriate for all tasks, and researchers often use ensemble strategies to ensure performance. This research work proposes a method for automatically designing semantic similarity ensembles. In fact, our proposed method uses grammatical evolution, for the first time, to automatically select and aggregate measures from a pool of candidates to create an ensemble that maximizes correlation to human judgment. The method is evaluated on several benchmark datasets and compared to state-of-the-art ensembles, showing that it can significantly improve similarity assessment accuracy and outperform existing methods in some cases. As a result, our research demonstrates the potential of using grammatical evolution to automatically compare text and prove the benefits of using ensembles for semantic similarity tasks.

High spectral dimensionality and the shortage of annotations make hyperspectral image (HSI) classification a challenging problem. Recent studies suggest that convolutional neural networks can learn discriminative spatial features, which play a paramount role in HSI interpretation. However, most of these methods ignore the distinctive spectral-spatial characteristic of hyperspectral data. In addition, a large amount of unlabeled data remains an unexploited gold mine for efficient data use. Therefore, we proposed an integration of generative adversarial networks (GANs) and probabilistic graphical models for HSI classification. Specifically, we used a spectral-spatial generator and a discriminator to identify land cover categories of hyperspectral cubes. Moreover, to take advantage of a large amount of unlabeled data, we adopted a conditional random field to refine the preliminary classification results generated by GANs. Experimental results obtained using two commonly studied datasets demonstrate that the proposed framework achieved encouraging classification accuracy using a small number of data for training.