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Evaluating predictive models is a crucial task in predictive analytics. This process is especially challenging with time series data where the observations show temporal dependencies. Several studies have analysed how different performance estimation methods compare with each other for approximating the true loss incurred by a given forecasting model. However, these studies do not address how the estimators behave for model selection: the ability to select the best solution among a set of alternatives. We address this issue and compare a set of estimation methods for model selection in time series forecasting tasks. We attempt to answer two main questions: (i) how often is the best possible model selected by the estimators; and (ii) what is the performance loss when it does not. We empirically found that the accuracy of the estimators for selecting the best solution is low, and the overall forecasting performance loss associated with the model selection process ranges from 1.2% to 2.3%. We also discovered that some factors, such as the sample size, are important in the relative performance of the estimators.

The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.

Spatio-temporal forecasting is challenging attributing to the high nonlinearity in temporal dynamics as well as complex location-characterized patterns in spatial domains, especially in fields like weather forecasting. Graph convolutions are usually used for modeling the spatial dependency in meteorology to handle the irregular distribution of sensors' spatial location. In this work, a novel graph-based convolution for imitating the meteorological flows is proposed to capture the local spatial patterns. Based on the assumption of smoothness of location-characterized patterns, we propose conditional local convolution whose shared kernel on nodes' local space is approximated by feedforward networks, with local representations of coordinate obtained by horizon maps into cylindrical-tangent space as its input. The established united standard of local coordinate system preserves the orientation on geography. We further propose the distance and orientation scaling terms to reduce the impacts of irregular spatial distribution. The convolution is embedded in a Recurrent Neural Network architecture to model the temporal dynamics, leading to the Conditional Local Convolution Recurrent Network (CLCRN). Our model is evaluated on real-world weather benchmark datasets, achieving state-of-the-art performance with obvious improvements. We conduct further analysis on local pattern visualization, model's framework choice, advantages of horizon maps and etc.

Traffic forecasting is an important factor for the success of intelligent transportation systems. Deep learning models including convolution neural networks and recurrent neural networks have been applied in traffic forecasting problems to model the spatial and temporal dependencies. In recent years, to model the graph structures in the transportation systems as well as the contextual information, graph neural networks (GNNs) are introduced as new tools and have achieved the state-of-the-art performance in a series of traffic forecasting problems. In this survey, we review the rapidly growing body of recent research using different GNNs, e.g., graph convolutional and graph attention networks, in various traffic forecasting problems, e.g., road traffic flow and speed forecasting, passenger flow forecasting in urban rail transit systems, demand forecasting in ride-hailing platforms, etc. We also present a collection of open data and source resources for each problem, as well as future research directions. To the best of our knowledge, this paper is the first comprehensive survey that explores the application of graph neural networks for traffic forecasting problems. We have also created a public Github repository to update the latest papers, open data and source resources.

Modeling multivariate time series has long been a subject that has attracted researchers from a diverse range of fields including economics, finance, and traffic. A basic assumption behind multivariate time series forecasting is that its variables depend on one another but, upon looking closely, it is fair to say that existing methods fail to fully exploit latent spatial dependencies between pairs of variables. In recent years, meanwhile, graph neural networks (GNNs) have shown high capability in handling relational dependencies. GNNs require well-defined graph structures for information propagation which means they cannot be applied directly for multivariate time series where the dependencies are not known in advance. In this paper, we propose a general graph neural network framework designed specifically for multivariate time series data. Our approach automatically extracts the uni-directed relations among variables through a graph learning module, into which external knowledge like variable attributes can be easily integrated. A novel mix-hop propagation layer and a dilated inception layer are further proposed to capture the spatial and temporal dependencies within the time series. The graph learning, graph convolution, and temporal convolution modules are jointly learned in an end-to-end framework. Experimental results show that our proposed model outperforms the state-of-the-art baseline methods on 3 of 4 benchmark datasets and achieves on-par performance with other approaches on two traffic datasets which provide extra structural information.

Predicting the road traffic speed is a challenging task due to different types of roads, abrupt speed changes, and spatial dependencies between roads, which requires the modeling of dynamically changing spatial dependencies among roads and temporal patterns over long input sequences. This paper proposes a novel Spatio-Temporal Graph Attention (STGRAT) that effectively captures the spatio-temporal dynamics in road networks. The features of our approach mainly include spatial attention, temporal attention, and spatial sentinel vectors. The spatial attention takes the graph structure information (e.g., distance between roads) and dynamically adjusts spatial correlation based on road states. The temporal attention is responsible for capturing traffic speed changes, while the sentinel vectors allow the model to retrieve new features from spatially correlated nodes or preserve existing features. The experimental results show that STGRAT outperforms existing models, especially in difficult conditions where traffic speeds rapidly change (e.g., rush hours). We additionally provide a qualitative study to analyze when and where STGRAT mainly attended to make accurate predictions during a rush-hour time.

Traffic forecasting is of great importance to transportation management and public safety, and very challenging due to the complicated spatial-temporal dependency and essential uncertainty brought about by the road network and traffic conditions. Latest studies mainly focus on modeling the spatial dependency by utilizing graph convolutional networks (GCNs) throughout a fixed weighted graph. However, edges, i.e., the correlations between pair-wise nodes, are much more complicated and interact with each other. In this paper, we propose the Multi-Range Attentive Bicomponent GCN (MRA-BGCN), a novel deep learning model for traffic forecasting. We first build the node-wise graph according to the road network distance and the edge-wise graph according to various edge interaction patterns. Then, we implement the interactions of both nodes and edges using bicomponent graph convolution. The multi-range attention mechanism is introduced to aggregate information in different neighborhood ranges and automatically learn the importance of different ranges. Extensive experiments on two real-world road network traffic datasets, METR-LA and PEMS-BAY, show that our MRA-BGCN achieves the state-of-the-art results.

Predicting the future trajectories of multiple interacting agents in a scene has become an increasingly important problem for many different applications ranging from control of autonomous vehicles and social robots to security and surveillance. This problem is compounded by the presence of social interactions between humans and their physical interactions with the scene. While the existing literature has explored some of these cues, they mainly ignored the multimodal nature of each human's future trajectory. In this paper, we present Social-BiGAT, a graph-based generative adversarial network that generates realistic, multimodal trajectory predictions by better modelling the social interactions of pedestrians in a scene. Our method is based on a graph attention network (GAT) that learns reliable feature representations that encode the social interactions between humans in the scene, and a recurrent encoder-decoder architecture that is trained adversarially to predict, based on the features, the humans' paths. We explicitly account for the multimodal nature of the prediction problem by forming a reversible transformation between each scene and its latent noise vector, as in Bicycle-GAN. We show that our framework achieves state-of-the-art performance comparing it to several baselines on existing trajectory forecasting benchmarks.

Text Classification is an important and classical problem in natural language processing. There have been a number of studies that applied convolutional neural networks (convolution on regular grid, e.g., sequence) to classification. However, only a limited number of studies have explored the more flexible graph convolutional neural networks (convolution on non-grid, e.g., arbitrary graph) for the task. In this work, we propose to use graph convolutional networks for text classification. We build a single text graph for a corpus based on word co-occurrence and document word relations, then learn a Text Graph Convolutional Network (Text GCN) for the corpus. Our Text GCN is initialized with one-hot representation for word and document, it then jointly learns the embeddings for both words and documents, as supervised by the known class labels for documents. Our experimental results on multiple benchmark datasets demonstrate that a vanilla Text GCN without any external word embeddings or knowledge outperforms state-of-the-art methods for text classification. On the other hand, Text GCN also learns predictive word and document embeddings. In addition, experimental results show that the improvement of Text GCN over state-of-the-art comparison methods become more prominent as we lower the percentage of training data, suggesting the robustness of Text GCN to less training data in text classification.

Multivariate time series forecasting is extensively studied throughout the years with ubiquitous applications in areas such as finance, traffic, environment, etc. Still, concerns have been raised on traditional methods for incapable of modeling complex patterns or dependencies lying in real word data. To address such concerns, various deep learning models, mainly Recurrent Neural Network (RNN) based methods, are proposed. Nevertheless, capturing extremely long-term patterns while effectively incorporating information from other variables remains a challenge for time-series forecasting. Furthermore, lack-of-explainability remains one serious drawback for deep neural network models. Inspired by Memory Network proposed for solving the question-answering task, we propose a deep learning based model named Memory Time-series network (MTNet) for time series forecasting. MTNet consists of a large memory component, three separate encoders, and an autoregressive component to train jointly. Additionally, the attention mechanism designed enable MTNet to be highly interpretable. We can easily tell which part of the historic data is referenced the most.