The Additive Voronoi Tessellations (AddiVortes) model is a multivariate regression model that uses multiple Voronoi tessellations to partition the covariate space for an additive ensemble model. In this paper, the AddiVortes framework is extended to binary classification by incorporating a probit model with a latent variable formulation. Specifically, we utilise a data augmentation technique, where a latent variable is introduced and the binary response is determined via thresholding. In most cases, the AddiVortes model outperforms random forests, BART and other leading black-box regression models when compared using a range of metrics. A comprehensive analysis is conducted using AddiVortes to predict an individual's likelihood of being approved for a home mortgage, based on a range of covariates. This evaluation highlights the model's effectiveness in capturing complex relationships within the data and its potential for improving decision-making in mortgage approval processes.

Swarm robotics, or very large-scale robotics (VLSR), has many meaningful applications for complicated tasks. However, the complexity of motion control and energy costs stack up quickly as the number of robots increases. In addressing this problem, our previous studies have formulated various methods employing macroscopic and microscopic approaches. These methods enable microscopic robots to adhere to a reference Gaussian mixture model (GMM) distribution observed at the macroscopic scale. As a result, optimizing the macroscopic level will result in an optimal overall result. However, all these methods require systematic and global generation of Gaussian components (GCs) within obstacle-free areas to construct the GMM trajectories. This work utilizes centroidal Voronoi tessellation to generate GCs methodically. Consequently, it demonstrates performance improvement while also ensuring consistency and reliability.

Despite the success of various methods in addressing the issue of spatial reconstruction of dynamical systems with sparse observations, spatio-temporal prediction for sparse fields remains a challenge. Existing Kriging-based frameworks for spatio-temporal sparse field prediction fail to meet the accuracy and inference time required for nonlinear dynamic prediction problems. In this paper, we introduce the Dynamical System Prediction from Sparse Observations using Voronoi Tessellation (DSOVT) framework, an innovative methodology based on Voronoi tessellation which combines convolutional encoder-decoder (CED) and long short-term memory (LSTM) and utilizing Convolutional Long Short-Term Memory (ConvLSTM). By integrating Voronoi tessellations with spatio-temporal deep learning models, DSOVT is adept at predicting dynamical systems with unstructured, sparse, and time-varying observations. CED-LSTM maps Voronoi tessellations into a low-dimensional representation for time series prediction, while ConvLSTM directly uses these tessellations in an end-to-end predictive model. Furthermore, we incorporate physics constraints during the training process for dynamical systems with explicit formulas. Compared to purely data-driven models, our physics-based approach enables the model to learn physical laws within explicitly formulated dynamics, thereby enhancing the robustness and accuracy of rolling forecasts. Numerical experiments on real sea surface data and shallow water systems clearly demonstrate our framework's accuracy and computational efficiency with sparse and time-varying observations.

Cavities on the structures of proteins are formed due to interaction between proteins and some small molecules, known as ligands. These are basically the locations where ligands bind with proteins. Actual detection of such locations is all-important to succeed in the entire drug design process. This study proposes a Voronoi Tessellation based novel cavity detection model that is used to detect cavities on the structure of proteins. As the atom space of protein structure is dense and of large volumes and the DBSCAN (Density Based Spatial Clustering of Applications with Noise) algorithm can handle such type of data very well as well as it is not mandatory to have knowledge about the numbers of clusters (cavities) in data as priori in this algorithm, this study proposes to implement the proposed algorithm with the DBSCAN algorithm.

Voronoi tessellation, also known as Voronoi diagram, is an important computational geometry technique that has applications in various scientific disciplines. It involves dividing a given space into regions based on the proximity to a set of points. Autodifferentiation is a powerful tool for solving optimization tasks. Autodifferentiation assumes constructing a computational graph that allows to compute gradients using backpropagation algorithm. However, often the Voronoi tessellation remains the only non-differentiable part of a pipeline, prohibiting end-to-end differentiation. We present the method for autodifferentiation of the 2D Voronoi tessellation. The method allows one to construct the Voronoi tessellation and pass gradients, making the construction end-to-end differentiable. We provide the implementation details and present several important applications. To the best of our knowledge this is the first autodifferentiable realization of the Voronoi tessellation providing full set of Voronoi geometrical parameters in a differentiable way.

Multi-modal regression is important in forecasting nonstationary processes or with a complex mixture of distributions. It can be tackled with multiple hypotheses frameworks but with the difficulty of combining them efficiently in a learning model. A Structured Radial Basis Function Network is presented as an ensemble of multiple hypotheses predictors for regression problems. The predictors are regression models of any type that can form centroidal Voronoi tessellations which are a function of their losses during training. It is proved that this structured model can efficiently interpolate this tessellation and approximate the multiple hypotheses target distribution and is equivalent to interpolating the meta-loss of the predictors, the loss being a zero set of the interpolation error. This model has a fixed-point iteration algorithm between the predictors and the centers of the basis functions. Diversity in learning can be controlled parametrically by truncating the tessellation formation with the losses of individual predictors. A closed-form solution with least-squares is presented, which to the authors knowledge, is the fastest solution in the literature for multiple hypotheses and structured predictions. Superior generalization performance and computational efficiency is achieved using only two-layer neural networks as predictors controlling diversity as a key component of success. A gradient-descent approach is introduced which is loss-agnostic regarding the predictors. The expected value for the loss of the structured model with Gaussian basis functions is computed, finding that correlation between predictors is not an appropriate tool for diversification. The experiments show outperformance with respect to the top competitors in the literature.

Mapping between discrete and continuous distributions is a difficult task and many have had to resort to heuristical approaches. We propose a tessellation-based approach that directly learns quantization boundaries in a continuous space, complete with exact likelihood evaluations. This is done through constructing normalizing flows on convex polytopes parameterized using a simple homeomorphism with an efficient log determinant Jacobian. We explore this approach in two application settings, mapping from discrete to continuous and vice versa. Firstly, a Voronoi dequantization allows automatically learning quantization boundaries in a multidimensional space. The location of boundaries and distances between regions can encode useful structural relations between the quantized discrete values. Secondly, a Voronoi mixture model has near-constant computation cost for likelihood evaluation regardless of the number of mixture components. Empirically, we show improvements over existing methods across a range of structured data modalities.

Consensus algorithms form the foundation for many distributed algorithms by enabling multiple robots to converge to consistent estimates of global variables using only local communication. However, standard consensus protocols can be easily led astray by non-cooperative team members. As such, the study of resilient forms of consensus is necessary for designing resilient distributed algorithms. W-MSR consensus is one such resilient consensus algorithm that allows for resilient consensus with only local knowledge of the communication graph and no a priori model for the data being shared. However, the verification that a given communication graph meets the strict graph connectivity requirement makes W-MSR difficult to use in practice. In this paper, we show that a commonly used communication graph structure in robotics literature, the communication graph built based on the Voronoi tessellation, automatically results in a sufficiently connected graph to reject a single non-cooperative team member. Further, we show how this graph can be enhanced to reject two non-cooperative team members and provide a roadmap for modifications for further resilience. This contribution will allow for the easy application of resilient consensus to algorithms that already rely on Voronoi-based communication such as distributed coverage and exploration algorithms.

Non-adversarial generative models such as variational auto-encoder (VAE), Wasserstein auto-encoders with maximum mean discrepancy (WAE-MMD), sliced-Wasserstein auto-encoder (SWAE) are relatively easy to train and have less mode collapse compared to Wasserstein auto-encoder with generative adversarial network (WAE-GAN). However, they are not very accurate in approximating the target distribution in the latent space because they don't have a discriminator to detect the minor difference between real and fake. To this end, we develop a novel non-adversarial framework called Tessellated Wasserstein Auto-encoders (TWAE) to tessellate the support of the target distribution into a given number of regions by the centroidal Voronoi tessellation (CVT) technique and design batches of data according to the tessellation instead of random shuffling for accurate computation of discrepancy. Theoretically, we demonstrate that the error of estimate to the discrepancy decreases when the numbers of samples $n$ and regions $m$ of the tessellation become larger with rates of $\mathcal{O}(\frac{1}{\sqrt{n}})$ and $\mathcal{O}(\frac{1}{\sqrt{m}})$, respectively. Given fixed $n$ and $m$, a necessary condition for the upper bound of measurement error to be minimized is that the tessellation is the one determined by CVT. TWAE is very flexible to different non-adversarial metrics and can substantially enhance their generative performance in terms of Fr\'{e}chet inception distance (FID) compared to VAE, WAE-MMD, SWAE. Moreover, numerical results indeed demonstrate that TWAE is competitive to the adversarial model WAE-GAN, demonstrating its powerful generative ability.