We propose a theoretical framework for training Graph Neural Networks (GNNs) on large input graphs via training on small, fixed-size sampled subgraphs. This framework is applicable to a wide range of models, including popular sampling-based GNNs, such as GraphSAGE and FastGCN. Leveraging the theory of graph local limits, we prove that, under mild assumptions, parameters learned from training sampling-based GNNs on small samples of a large input graph are within an $\epsilon$-neighborhood of the outcome of training the same architecture on the whole graph. We derive bounds on the number of samples, the size of the graph, and the training steps required as a function of $\epsilon$. Our results give a novel theoretical understanding for using sampling in training GNNs. They also suggest that by training GNNs on small samples of the input graph, practitioners can identify and select the best models, hyperparameters, and sampling algorithms more efficiently. We empirically illustrate our results on a node classification task on large citation graphs, observing that sampling-based GNNs trained on local subgraphs 12$\times$ smaller than the original graph achieve comparable performance to those trained on the input graph.

Density estimation, which estimates the distribution of data, is an important category of probabilistic machine learning. A family of density estimators is mixture models, such as Gaussian Mixture Model (GMM) by expectation maximization. Another family of density estimators is the generative models which generate data from input latent variables. One of the generative models is the Masked Autoregressive Flow (MAF) which makes use of normalizing flows and autoregressive networks. In this paper, we use the density estimators for classification, although they are often used for estimating the distribution of data. We model the likelihood of classes of data by density estimation, specifically using GMM and MAF. The proposed classifiers outperform simpler classifiers such as linear discriminant analysis which model the likelihood using only a single Gaussian distribution. This work opens the research door for proposing other probabilistic classifiers based on joint density estimation.

Signed networks are frequently observed in real life with additional sign information associated with each edge, yet such information has been largely ignored in existing network models. This paper develops a unified embedding model for signed networks to disentangle the intertwined balance structure and anomaly effect, which can greatly facilitate the downstream analysis, including community detection, anomaly detection, and network inference. The proposed model captures both balance structure and anomaly effect through a low rank plus sparse matrix decomposition, which are jointly estimated via a regularized formulation. Its theoretical guarantees are established in terms of asymptotic consistency and finite-sample probability bounds for network embedding, community detection and anomaly detection. The advantage of the proposed embedding model is also demonstrated through extensive numerical experiments on both synthetic networks and an international relation network.

But have you ever wondered what a fight between a hippopotamus and a great white shark might look like? Now, scientists have set the record straight, after using artificial intelligence (AI) to simulate battles between the most terrifying animals on Earth. Somewhat surprisingly, the simulations suggest that a hippo would beat a great white shark - and could even take down a polar bear. However, the ultimate champion of the animal kingdom is the African Elephant, according to researchers from Animal Matchup. In honour of World Animal Day, experts from Animal Match set out to settle the debate - which animal is the strongest?

While machine learning (ML) has made significant contributions to the biopharmaceutical field, its applications are still in the early stages in terms of providing direct support for quality-by-design based development and manufacturing of biopharmaceuticals, hindering the enormous potential for bioprocesses automation from their development to manufacturing. However, the adoption of ML-based models instead of conventional multivariate data analysis methods is significantly increasing due to the accumulation of large-scale production data. This trend is primarily driven by the real-time monitoring of process variables and quality attributes of biopharmaceutical products through the implementation of advanced process analytical technologies. Given the complexity and multidimensionality of a bioproduct design, bioprocess development, and product manufacturing data, ML-based approaches are increasingly being employed to achieve accurate, flexible, and high-performing predictive models to address the problems of analytics, monitoring, and control within the biopharma field. This paper aims to provide a comprehensive review of the current applications of ML solutions in a bioproduct design, monitoring, control, and optimisation of upstream, downstream, and product formulation processes. Finally, this paper thoroughly discusses the main challenges related to the bioprocesses themselves, process data, and the use of machine learning models in biopharmaceutical process development and manufacturing. Moreover, it offers further insights into the adoption of innovative machine learning methods and novel trends in the development of new digital biopharma solutions.

This thesis proposes and describes a research attempt at designing and developing a speaker independent spontaneous automatic speech recognition system for Tigrigna The acoustic model of the Speech Recognition System is developed using Carnegie Mellon University Automatic Speech Recognition development tool (Sphinx) while the SRIM tool is used for the development of the language model. Keywords Automatic Speech Recognition Tigrigna language

This study enhances stance detection on social media by incorporating deeper psychological attributes, specifically individuals' moral foundations. These theoretically-derived dimensions aim to provide a comprehensive profile of an individual's moral concerns which, in recent work, has been linked to behaviour in a range of domains, including society, politics, health, and the environment. In this paper, we investigate how moral foundation dimensions can contribute to predicting an individual's stance on a given target. Specifically we incorporate moral foundation features extracted from text, along with message semantic features, to classify stances at both message- and user-levels across a range of targets and models. Our preliminary results suggest that encoding moral foundations can enhance the performance of stance detection tasks and help illuminate the associations between specific moral foundations and online stances on target topics. The results highlight the importance of considering deeper psychological attributes in stance analysis and underscores the role of moral foundations in guiding online social behavior.

Recent studies have revealed some issues of Multi-Head Attention (MHA), e.g., redundancy and over-parameterization. Specifically, the heads of MHA were originally designed to attend to information from different representation subspaces, whereas prior studies found that some attention heads likely learn similar features and can be pruned without harming performance. Inspired by the minimum-redundancy feature selection, we assume that focusing on the most representative and distinctive features with minimum resources can mitigate the above issues and lead to more effective and efficient MHAs. In particular, we propose Grouped Head Attention, trained with a self-supervised group constraint that group attention heads, where each group focuses on an essential but distinctive feature subset. We additionally propose a Voting-to-Stay procedure to remove redundant heads, thus achieving a transformer with lighter weights. Moreover, our method achieves significant performance gains on three well-established tasks while considerably compressing parameters.

The discovery of new functional and stable materials is a big challenge due to its complexity. This work aims at the generation of new crystal structures with desired properties, such as chemical stability and specified chemical composition, by using machine learning generative models. Compared to the generation of molecules, crystal structures pose new difficulties arising from the periodic nature of the crystal and from the specific symmetry constraints related to the space group. In this work, score-based probabilistic models based on annealed Langevin dynamics, which have shown excellent performance in various applications, are adapted to the task of crystal generation. The novelty of the presented approach resides in the fact that the lattice of the crystal cell is not fixed. During the training of the model, the lattice is learned from the available data, whereas during the sampling of a new chemical structure, two denoising processes are used in parallel to generate the lattice along the generation of the atomic positions. A multigraph crystal representation is introduced that respects symmetry constraints, yielding computational advantages and a better quality of the sampled structures. We show that our model is capable of generating new candidate structures in any chosen chemical system and crystal group without any additional training. To illustrate the functionality of the proposed method, a comparison of our model to other recent generative models, based on descriptor-based metrics, is provided.

The objective of this work is to expand upon previous works, considering socially acceptable behaviours within robot navigation and interaction, and allow a robot to closely approach static and dynamic individuals or groups. The space models developed in this dissertation are adaptive, that is, capable of changing over time to accommodate the changing circumstances often existent within a social environment. The space model's parameters' adaptation occurs with the end goal of enabling a close interaction between humans and robots and is thus capable of taking into account not only the arrangement of the groups, but also the basic characteristics of the robot itself. This work also further develops a preexisting approach pose estimation algorithm in order to better guarantee the safety and comfort of the humans involved in the interaction, by taking into account basic human sensibilities. The algorithms are integrated into ROS's navigation system through the use of the $costmap2d$ and the $move\_base$ packages. The space model adaptation is tested via comparative evaluation against previous algorithms through the use of datasets. The entire navigation system is then evaluated through both simulations (static and dynamic) and real life situations (static). These experiments demonstrate that the developed space model and approach pose estimation algorithms are capable of enabling a robot to closely approach individual humans and groups, while maintaining considerations for their comfort and sensibilities.