Alexandru Telea

Alister Machado, Alexandru Telea, Michael Behrisch

Projections, or dimensionality reduction methods, are techniques of choice for the visual exploration of high-dimensional data. Many such techniques exist, each one of them having a distinct visual signature - i.e., a recognizable way to arrange points in the resulting scatterplot. Such signatures are implicit consequences of algorithm design, such as whether the method focuses on local vs global data pattern preservation; optimization techniques; and hyperparameter settings. We present a novel projection technique - ShaRP - that provides users explicit control over the visual signature of the created scatterplot, which can cater better to interactive visualization scenarios. ShaRP scales well with dimensionality and dataset size, generically handles any quantitative dataset, and provides this extended functionality of controlling projection shapes at a small, user-controllable cost in terms of quality metrics.

Angelos Chatzimparmpas, Rafael M. Martins, Alexandru C. Telea et al.

As the complexity of machine learning (ML) models increases and their application in different (and critical) domains grows, there is a strong demand for more interpretable and trustworthy ML. A direct, model-agnostic, way to interpret such models is to train surrogate models-such as rule sets and decision trees-that sufficiently approximate the original ones while being simpler and easier-to-explain. Yet, rule sets can become very lengthy, with many if-else statements, and decision tree depth grows rapidly when accurately emulating complex ML models. In such cases, both approaches can fail to meet their core goal-providing users with model interpretability. To tackle this, we propose DeforestVis, a visual analytics tool that offers summarization of the behaviour of complex ML models by providing surrogate decision stumps (one-level decision trees) generated with the Adaptive Boosting (AdaBoost) technique. DeforestVis helps users to explore the complexity versus fidelity trade-off by incrementally generating more stumps, creating attribute-based explanations with weighted stumps to justify decision making, and analysing the impact of rule overriding on training instance allocation between one or more stumps. An independent test set allows users to monitor the effectiveness of manual rule changes and form hypotheses based on case-by-case analyses. We show the applicability and usefulness of DeforestVis with two use cases and expert interviews with data analysts and model developers.

Artur André Oliveira, Mateus Espadoto, Roberto Hirata et al.

Dimensionality reduction (DR) techniques map high-dimensional data into lower-dimensional spaces. Yet, current DR techniques are not designed to explore semantic structure that is not directly available in the form of variables or class labels. We introduce a novel user-guided projection framework for image and text data that enables customizable, interpretable, data visualizations via zero-shot classification with Multimodal Large Language Models (MLLMs). We enable users to steer projections dynamically via natural-language guiding prompts, to specify high-level semantic relationships of interest to the users which are not explicitly present in the data dimensions. We evaluate our method across several datasets and show that it not only enhances cluster separation, but also transforms DR into an interactive, user-driven process. Our approach bridges the gap between fully automated DR techniques and human-centered data exploration, offering a flexible and adaptive way to tailor projections to specific analytical needs.

Mateus Espadoto, Gabriel Appleby, Ashley Suh et al.

Projection techniques are often used to visualize high-dimensional data, allowing users to better understand the overall structure of multi-dimensional spaces on a 2D screen. Although many such methods exist, comparably little work has been done on generalizable methods of inverse-projection -- the process of mapping the projected points, or more generally, the projection space back to the original high-dimensional space. In this paper we present NNInv, a deep learning technique with the ability to approximate the inverse of any projection or mapping. NNInv learns to reconstruct high-dimensional data from any arbitrary point on a 2D projection space, giving users the ability to interact with the learned high-dimensional representation in a visual analytics system. We provide an analysis of the parameter space of NNInv, and offer guidance in selecting these parameters. We extend validation of the effectiveness of NNInv through a series of quantitative and qualitative analyses. We then demonstrate the method's utility by applying it to three visualization tasks: interactive instance interpolation, classifier agreement, and gradient visualization.

Youngjoo Kim, Alexandru C. Telea, Scott C. Trager et al.

Applying dimensionality reduction (DR) to large, high-dimensional data sets can be challenging when distinguishing the underlying high-dimensional data clusters in a 2D projection for exploratory analysis. We address this problem by first sharpening the clusters in the original high-dimensional data prior to the DR step using Local Gradient Clustering (LGC). We then project the sharpened data from the high-dimensional space to 2D by a user-selected DR method. The sharpening step aids this method to preserve cluster separation in the resulting 2D projection. With our method, end-users can label each distinct cluster to further analyze an otherwise unlabeled data set. Our `High-Dimensional Sharpened DR' (HD-SDR) method, tested on both synthetic and real-world data sets, is favorable to DR methods with poor cluster separation and yields a better visual cluster separation than these DR methods with no sharpening. Our method achieves good quality (measured by quality metrics) and scales computationally well with large high-dimensional data. To illustrate its concrete applications, we further apply HD-SDR on a recent astronomical catalog.

Barbara C Benato, Alexandru C Telea, Alexandre X Falcão

Training deep neural networks is challenging when large and annotated datasets are unavailable. Extensive manual annotation of data samples is time-consuming, expensive, and error-prone, notably when it needs to be done by experts. To address this issue, increased attention has been devoted to techniques that propagate uncertain labels (also called pseudo labels) to large amounts of unsupervised samples and use them for training the model. However, these techniques still need hundreds of supervised samples per class in the training set and a validation set with extra supervised samples to tune the model. We improve a recent iterative pseudo-labeling technique, Deep Feature Annotation (DeepFA), by selecting the most confident unsupervised samples to iteratively train a deep neural network. Our confidence-based sampling strategy relies on only dozens of annotated training samples per class with no validation set, considerably reducing user effort in data annotation. We first ascertain the best configuration for the baseline -- a self-trained deep neural network -- and then evaluate our confidence DeepFA for different confidence thresholds. Experiments on six datasets show that DeepFA already outperforms the self-trained baseline, but confidence DeepFA can considerably outperform the original DeepFA and the baseline.

Gabriel Appleby, Mateus Espadoto, Rui Chen et al.

Projection algorithms such as t-SNE or UMAP are useful for the visualization of high dimensional data, but depend on hyperparameters which must be tuned carefully. Unfortunately, iteratively recomputing projections to find the optimal hyperparameter value is computationally intensive and unintuitive due to the stochastic nature of these methods. In this paper we propose HyperNP, a scalable method that allows for real-time interactive hyperparameter exploration of projection methods by training neural network approximations. HyperNP can be trained on a fraction of the total data instances and hyperparameter configurations and can compute projections for new data and hyperparameters at interactive speeds. HyperNP is compact in size and fast to compute, thus allowing it to be embedded in lightweight visualization systems such as web browsers. We evaluate the performance of the HyperNP across three datasets in terms of performance and speed. The results suggest that HyperNP is accurate, scalable, interactive, and appropriate for use in real-world settings.

Barbara Caroline Benato, Jancarlo Ferreira Gomes, Alexandru Cristian Telea et al.

While convolutional neural networks need large labeled sets for training images, expert human supervision of such datasets can be very laborious. Proposed solutions propagate labels from a small set of supervised images to a large set of unsupervised ones to obtain sufficient truly-and-artificially labeled samples to train a deep neural network model. Yet, such solutions need many supervised images for validation. We present a loop in which a deep neural network (VGG-16) is trained from a set with more correctly labeled samples along iterations, created by using t-SNE to project the features of its last max-pooling layer into a 2D embedded space in which labels are propagated using the Optimum-Path Forest semi-supervised classifier. As the labeled set improves along iterations, it improves the features of the neural network. We show that this can significantly improve classification results on test data (using only 1\% to 5\% of supervised samples) of three private challenging datasets and two public ones.

Barbara Caroline Benato, Jancarlo Ferreira Gomes, Alexandru Cristian Telea et al.

Data annotation using visual inspection (supervision) of each training sample can be laborious. Interactive solutions alleviate this by helping experts propagate labels from a few supervised samples to unlabeled ones based solely on the visual analysis of their feature space projection (with no further sample supervision). We present a semi-automatic data annotation approach based on suitable feature space projection and semi-supervised label estimation. We validate our method on the popular MNIST dataset and on images of human intestinal parasites with and without fecal impurities, a large and diverse dataset that makes classification very hard. We evaluate two approaches for semi-supervised learning from the latent and projection spaces, to choose the one that best reduces user annotation effort and also increases classification accuracy on unseen data. Our results demonstrate the added-value of visual analytics tools that combine complementary abilities of humans and machines for more effective machine learning.

Lucas Pagliosa, Alexandru Telea, Rodrigo Mello

The reconstruction of phase spaces is an essential step to analyze time series according to Dynamical System concepts. A regression performed on such spaces unveils the relationships among system states from which we can derive their generating rules, that is, the most probable set of functions responsible for generating observations along time. In this sense, most approaches rely on Takens' embedding theorem to unfold the phase space, which requires the embedding dimension and the time delay. Moreover, although several methods have been proposed to empirically estimate those parameters, they still face limitations due to their lack of consistency and robustness, which has motivated this paper. As an alternative, we here propose an artificial neural network with a forgetting mechanism to implicitly learn the phase spaces properties, whatever they are. Such network trains on forecasting errors and, after converging, its architecture is used to estimate the embedding parameters. Experimental results confirm that our approach is either as competitive as or better than most state-of-the-art strategies while revealing the temporal relationship among time-series observations.

Mateus Espadoto, Nina S. T. Hirata, Alexandru C. Telea

Dimensionality reduction methods, also known as projections, are frequently used for exploring multidimensional data in machine learning, data science, and information visualization. Among these, t-SNE and its variants have become very popular for their ability to visually separate distinct data clusters. However, such methods are computationally expensive for large datasets, suffer from stability problems, and cannot directly handle out-of-sample data. We propose a learning approach to construct such projections. We train a deep neural network based on a collection of samples from a given data universe, and their corresponding projections, and next use the network to infer projections of data from the same, or similar, universes. Our approach generates projections with similar characteristics as the learned ones, is computationally two to three orders of magnitude faster than SNE-class methods, has no complex-to-set user parameters, handles out-of-sample data in a stable manner, and can be used to learn any projection technique. We demonstrate our proposal on several real-world high dimensional datasets from machine learning.