Graph Convolutional Networks (GCNs) draws significant attention due to its power of representation learning on graphs. Recent works developed frameworks to train deep GCNs. Such works show impressive results in tasks like point cloud classification and segmentation, and protein interaction prediction. While for large-scale graphs, doing full-batch training by GCNs is still challenging especially when GCNs go deeper. By fully analyzing a clustering-based mini-batch training algorithm ClusterGCN, we propose random partition which is a more efficient and effective method to implement mini-batch training. Besides, selecting different permutation invariance function (such as max, mean or add) for neighbors’ information aggregation will result in every different results. Therefore, we propose to alleviate it by introducing a novel Generalized Aggregation Function. In this thesis, I analyze the drawbacks caused by ClusterGCN and discuss about its limits. I further compare the performance of ClusterGCN with random partition and the final experimental results show that simple random partition outperforms ClusterGCN with very obvious advantageous for node property prediction task. For the techniques which are commonly used to make GCNs go deeper, I demonstrate a better way of applying residual connections (pre-activation) to stack more layers for GCNs. Last, I show the complete work of training deeper GCNs with generalized aggregators and display the promising results over several datasets from the Open Graph Benchmark (OGB).

Due to hardware limitations, 3D sensors like LiDAR often produce sparse and noisy point clouds. Point cloud upsampling is the task of converting such point clouds into dense and clean ones. This thesis tackles the problem of point cloud upsampling using deep neural networks. The effectiveness of a point cloud upsampling neural network heavily relies on the upsampling module and the feature extractor used therein. In this thesis, I propose a novel point upsampling module, called NodeShuffle. NodeShuffle leverages Graph Convolutional Networks (GCNs) to better encode local point information from point neighborhoods. NodeShuffle is versatile and can be incorporated into any point cloud upsampling pipeline. Extensive experiments show how NodeShuffle consistently improves the performance of previous upsampling methods. I also propose a new GCN-based multi-scale feature extractor, called Inception DenseGCN. By aggregating features at multiple scales, Inception DenseGCN learns a hierarchical feature representation and enables further performance gains. I combine Inception DenseGCN with NodeShuffle into the proposed point cloud upsampling network called PU-GCN. PU-GCN sets new state-of-art performance with much fewer parameters and more efficient inference.

Text classification is a fundamental natural language processing task. However, in real-world applications, class distributions are usually skewed, e.g., due to inherent class imbalance. In addition, the task difficulty changes based on the underlying language. When rich morphological structure and high ambiguity are exhibited, natural language understanding can become challenging. For example, Arabic, ranked the fifth most widely used language, has a rich morphological structure and high ambiguity that result from Arabic orthography. Thus, Arabic natural language processing is challenging. Several studies employ Long Short- Term Memory (LSTM) networks and Convolutional Neural Networks (CNNs), but Graph Convolutional Networks (GCNs) have not yet been investigated for the task. Sequence- based models can successfully capture semantics in local consecutive text sequences. On the other hand, graph-based models can preserve global co-occurrences that capture non- consecutive and long-distance semantics. A text representation approach that combines local and global information can enhance performance in practical class imbalance text classification scenarios. Yet, multi-view graph-based text representations have received limited attention. In this research, first we introduce Multi-view Minority Class Text Graph Convolutional Network (MMCT-GCN), a transductive multi-view text classification model that captures textual graph representations for the minority class alongside sequence-based text representations. Experimental results show that MMCT-GCN obtains consistent improvements over baselines. Second, we develop an Arabic Bidirectional Encoder Representations from Transformers (BERT) Graph Convolutional Network (AraBERT-GCN), a hybrid model that combines the large-scale pre-trained models that encode the local context and semantics alongside graph-based features that are capable of extracting the global word co-occurrences in non-consecutive extended semantics by only one or two hops. Experimental results show that AraBERT-GCN outperforms the state-of-the-art (SOTA) on our Arabic text datasets. Finally, we propose an Arabic Multidimensional Edge Graph Convolutional Network (AraMEGraph) designed for text classification that encapsulates richer and context-aware representations of word and phrase relationships, thus mitigating the impact of the complexity and ambiguity of the Arabic language. / Doctor of Philosophy / The text classification task is an important step in understanding natural language. However, this task has many challenges, such as uneven data distributions and language difficulty. For example, Arabic is the fifth most spoken language. It has many different word forms and meanings, which can make things harder to understand. Long Short-Term Memory (LSTM) networks and Convolutional Neural Networks (CNNs) are widely utilized for text classification. However, another kind of network called graph convolutional network (GCN) has yet to be explored for this task. Graph-based models keep track of how words are connected, even if they are not right next to each other in a sentence. This helps with better understanding the meaning of words. On the other hand, sequence-based models do well in understanding the meaning of words that are right next to each other. Mixing both types of information in text understanding can work better, especially when dealing with unevenly distributed data. In this research, we introduce a new text classification method called Multi-view Minority Class Text Graph Convolutional Network (MMCT-GCN). This model looks at text from different angles and combines information from graphs and sequence-based models. Our experiments show that this model performs better than other ones proposed in the literature. Additionally, we propose an Arabic BERT Graph Convolutional Network (AraBERT-GCN). It combines pre-trained models that understand words in context and graph features that look at how words relate to each other globally. This helps AraBERT- GCN do better than other models when working with Arabic text. Finally, we develop a special network called Arabic Multidimensional Edge Graph Convolutional Network (AraMEGraph) for Arabic text. It is designed to better understand Arabic and classify text more accurately. We do this by adding special edge features with multiple dimensions to help the network learn the relationships between words and phrases.

Neural architecture search is a popular method for automating architecture design. Bayesian optimization is a widely used approach for hyper-parameter optimization and can estimate a function with limited samples. However, Bayesian optimization methods are not preferred for architecture search as it expects vector inputs while graphs are high dimensional data. This thesis presents a Bayesian approach with Gaussian priors that use graph kernels specifically targeted to work in the higherdimensional graph space. We implemented three different graph kernels and show that on the NAS-Bench-101 dataset, an untrained graph convolutional network kernel outperforms previous methods significantly in terms of the best network found and the number of samples required to find it. We follow the AutoML guidelines to make this work reproducible. / Neural arkitektur sökning är en populär metod för att automatisera arkitektur design. Bayesian-optimering är ett vanligt tillvägagångssätt för optimering av hyperparameter och kan uppskatta en funktion med begränsade prover. Bayesianska optimeringsmetoder är dock inte att föredra för arkitektonisk sökning eftersom vektoringångar förväntas medan grafer är högdimensionella data. Denna avhandling presenterar ett Bayesiansk tillvägagångssätt med gaussiska prior som använder grafkärnor som är särskilt fokuserade på att arbeta i det högre dimensionella grafutrymmet. Vi implementerade tre olika grafkärnor och visar att det på NASBench- 101-data, till och med en otränad Grafkonvolutionsnätverk-kärna, överträffar tidigare metoder när det gäller det bästa nätverket som hittats och antalet prover som krävs för att hitta det. Vi följer AutoML-riktlinjerna för att göra detta arbete reproducerbart.

This thesis deals with rotation estimation of 3D model of human jaw. It describes and compares methods for direct analysis od 3D models as well as method to analyze model using rasterization. To evaluate perfomance of proposed method, a metric that computes number of cases when prediction was less than 30° from ground truth is used. Proposed method that uses rasterization, takes  three x-ray views of model as an input and processes it with convolutional network. It achieves best preformance, 99% with described metric. Method to directly analyze polygonal model as a sequence uses attention mechanism to do so and was inspired by transformer architecture. A special pooling function was proposed for this network that decreases memory requirements of the network. This method achieves 88%, but does not use rasterization and can process polygonal model directly. It is not as good as rasterization method with x-ray display, byt it is better than rasterization method with model not rendered as x-ray.  The last method uses graph representation of mesh. Graph network had problems with overfitting, that is why it did not get good results and I think this method is not very suitable for analyzing plygonal model.

Graph convolutional networks (GCNs) showed promising results in learning from point cloud data. Applications of GCNs include point cloud classification, point cloud segmentation, point cloud upsampling, and more. Recently, the introduction of Deep Graph Convolutional Networks (DeepGCNs) allowed GCNs to go deeper, and thus resulted in better graph learning while avoiding the vanishing gradient problem in GCNs. By adapting impactful methods from convolutional neural networks (CNNs) such as residual connections, dense connections, and dilated convolutions, DeepGCNs allowed GCNs to learn better from non-Euclidean data. In addition, deep learning methods proved very effective in the task of point cloud upsampling. Unlike traditional optimization-based methods, deep learning-based methods to point cloud upsampling does not rely on priors nor hand-crafted features to learn how to upsample point clouds. In this thesis, I discuss the impact and show the performance results of DeepGCNs in the task of point cloud part segmentation on PartNet dataset. I also illustrate the significance of using GCNs as upsampling modules in the task of point cloud upsampling by introducing two novel upsampling modules: Multi-branch GCN and Clone GCN. I show quantitatively and qualitatively the performance results of our novel and versatile upsampling modules when evaluated on a new proposed standardized dataset: PU600, which is the largest and most diverse point cloud upsampling dataset currently in the literature.

Automation is fundamentally changing many industries and retail is no exception. Moonshopis a South African venture trying to solve the problem of autonomous grocery storesusing cameras and computer vision. This project is the continuation of a hackathon heldto explore different methods for Human Action Recognition in Moonshop’s stores.Throughout the project a pipeline for data processing has been developed and two typesof Graph-Convolutional Networks, CTR-GCN and ST-GCN, have been implementedand evaluated on the data produced by this pipeline. The resulting scores aren’t goodenough to call it a success. However, this is not necessarily a fault of the models. Rather,there wasn’t enough data to train on and the existing data was of varying to low quality.This makes it complicated to justly judge the models’ performances. In the future, moreresources should be spent on generating more and better data in order to really evaluatethe feasibility of using Human Action Recognition and Graph-Convolutional Networksat Moonshop.

要旨ファイルを差し替え（2023-01-23） / 京都大学 / 新制・課程博士 / 博士(薬学) / 甲第23144号 / 薬博第844号 / 新制||薬||242(附属図書館) / 京都大学大学院薬学研究科薬学専攻 / (主査)教授 高須 清誠, 教授 石濱 泰, 教授 大野 浩章 / 学位規則第4条第1項該当 / Doctor of Pharmaceutical Sciences / Kyoto University / DFAM

With increasing data and technology, multiple types of data from the same set of nodes have been generated. Since each data modality contains a unique aspect of the underlying mechanisms, multiple datatypes are integrated. In addition to multiple datatypes, networks are important to store information representing associations between entities such as genes of a protein-protein interaction network and authors of a citation network. Recently, some advanced approaches to graph-structured data leverage node associations and features simultaneously, called Graph Neural Network (GNN), but they have limitations for integrative approaches. The overall aim of this dissertation is to integrate multiple data modalities on graph-structured data to infer some context-specific gene regulation and predict outcomes of interest. To this end, first, we introduce a computational tool named CRINET to infer genome-wide competing endogenous RNA (ceRNA) networks. By integrating multiple data properly, we had a better understanding of gene regulatory circuitry addressing important drawbacks pertaining to ceRNA regulation. We tested CRINET on breast cancer data and found that ceRNA interactions and groups were significantly enriched in the cancer-related genes and processes. CRINET-inferred ceRNA groups supported the studies claiming the relation between immunotherapy and cancer. Second, we present SUPREME, a node classification framework, by comprehensively analyzing multiple data and associations between nodes with graph convolutions on multiple networks. Our results on survival analysis suggested that SUPREME could demystify the characteristics of classes with proper utilization of multiple data and networks. Finally, we introduce an attention-aware fusion approach, called GRAF, which fuses multiple networks and utilizes attention mechanisms on graph-structured data. Utilization of learned node- and association-level attention with network fusion allowed us to prioritize the edges properly, leading to improvement in the prediction results. Given the findings of all three tools and their outperformance over state-of-the-art methods, the proposed dissertation shows the importance of integrating multiple types of data and the exploitation of multiple graph structured data.

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