Many existing neural architecture search (NAS) solutions rely on downstream training for architecture evaluation, which takes enormous computations. Considering that these computations bring a large carbon footprint, this paper aims to explore a green (namely environmental-friendly) NAS solution that evaluates architectures without training. Intuitively, gradients, induced by the architecture itself, directly decide the convergence and generalization results. It motivates us to propose the gradient kernel hypothesis: Gradients can be used as a coarse-grained proxy of downstream training to evaluate random-initialized networks. To support the hypothesis, we conduct a theoretical analysis and find a practical gradient kernel that has good correlations with training loss and validation performance. According to this hypothesis, we propose a new kernel based architecture search approach KNAS. Experiments show that KNAS achieves competitive results with orders of magnitude faster than "train-then-test" paradigms on image classification tasks. Furthermore, the extremely low search cost enables its wide applications. The searched network also outperforms strong baseline RoBERTA-large on two text classification tasks. Codes are available at \url{https://github.com/Jingjing-NLP/KNAS} .
Graph neural networks (GNNs) have been broadly studied on dynamic graphs for their representation learning, majority of which focus on graphs with homogeneous structures in the spatial domain. However, many real-world graphs - i.e., heterogeneous temporal graphs (HTGs) - evolve dynamically in the context of heterogeneous graph structures. The dynamics associated with heterogeneity have posed new challenges for HTG representation learning. To solve this problem, in this paper, we propose heterogeneous temporal graph neural network (HTGNN) to integrate both spatial and temporal dependencies while preserving the heterogeneity to learn node representations over HTGs. Specifically, in each layer of HTGNN, we propose a hierarchical aggregation mechanism, including intra-relation, inter-relation, and across-time aggregations, to jointly model heterogeneous spatial dependencies and temporal dimensions. To retain the heterogeneity, intra-relation aggregation is first performed over each slice of HTG to attentively aggregate information of neighbors with the same type of relation, and then intra-relation aggregation is exploited to gather information over different types of relations; to handle temporal dependencies, across-time aggregation is conducted to exchange information across different graph slices over the HTG. The proposed HTGNN is a holistic framework tailored heterogeneity with evolution in time and space for HTG representation learning. Extensive experiments are conducted on the HTGs built from different real-world datasets and promising results demonstrate the outstanding performance of HTGNN by comparison with state-of-the-art baselines. Our built HTGs and code have been made publicly accessible at: https://github.com/YesLab-Code/HTGNN.
With the recent advance of deep learning based object recognition and estimation, it is possible to consider object level SLAM where the pose of each object is estimated in the SLAM process. In this paper, based on a novel Lie group structure, a right invariant extended Kalman filter (RI-EKF) for object based SLAM is proposed. The observability analysis shows that the proposed algorithm automatically maintains the correct unobservable subspace, while standard EKF (Std-EKF) based SLAM algorithm does not. This results in a better consistency for the proposed algorithm comparing to Std-EKF. Finally, simulations and real world experiments validate not only the consistency and accuracy of the proposed algorithm, but also the practicability of the proposed RI-EKF for object based SLAM problem. The MATLAB code of the algorithm is made publicly available.
A novel framework has recently been proposed for designing the molecular structure of chemical compounds with a desired chemical property using both artificial neural networks and mixed integer linear programming. In this paper, we design a new method for inferring a polymer based on the framework. For this, we introduce a new way of representing a polymer as a form of monomer and define new descriptors that feature the structure of polymers. We also use linear regression as a building block of constructing a prediction function in the framework. The results of our computational experiments reveal a set of chemical properties on polymers to which a prediction function constructed with linear regression performs well. We also observe that the proposed method can infer polymers with up to 50 non-hydrogen atoms in a monomer form.
A novel framework has recently been proposed for designing the molecular structure of chemical compounds with a desired chemical property using both artificial neural networks and mixed integer linear programming. In the framework, a chemical graph with a target chemical value is inferred as a feasible solution of a mixed integer linear program that represents a prediction function and other requirements on the structure of graphs. In this paper, we propose a procedure for generating other feasible solutions of the mixed integer linear program by searching the neighbor of output chemical graph in a search space. The procedure is combined in the framework as a new building block. The results of our computational experiments suggest that the proposed method can generate an additional number of new chemical graphs with up to 50 non-hydrogen atoms.
Trading volume movement prediction is the key in a variety of financial applications. Despite its importance, there is few research on this topic because of its requirement for comprehensive understanding of information from different sources. For instance, the relation between multiple stocks, recent transaction data and suddenly released events are all essential for understanding trading market. However, most of the previous methods only take the fluctuation information of the past few weeks into consideration, thus yielding poor performance. To handle this issue, we propose a graphbased approach that can incorporate multi-view information, i.e., long-term stock trend, short-term fluctuation and sudden events information jointly into a temporal heterogeneous graph. Besides, our method is equipped with deep canonical analysis to highlight the correlations between different perspectives of fluctuation for better prediction. Experiment results show that our method outperforms strong baselines by a large margin.
Deep learning's performance has been extensively recognized recently. Graph neural networks (GNNs) are designed to deal with graph-structural data that classical deep learning does not easily manage. Since most GNNs were created using distinct theories, direct comparisons are impossible. Prior research has primarily concentrated on categorizing existing models, with little attention paid to their intrinsic connections. The purpose of this study is to establish a unified framework that integrates GNNs based on spectral graph and approximation theory. The framework incorporates a strong integration between spatial- and spectral-based GNNs while tightly associating approaches that exist within each respective domain.
Federated Learning (FL) is known to perform Machine Learning tasks in a distributed manner. Over the years, this has become an emerging technology especially with various data protection and privacy policies being imposed FL allows performing machine learning tasks whilst adhering to these challenges. As with the emerging of any new technology, there are going to be challenges and benefits. A challenge that exists in FL is the communication costs, as FL takes place in a distributed environment where devices connected over the network have to constantly share their updates this can create a communication bottleneck. In this paper, we present a survey of the research that is performed to overcome the communication constraints in an FL setting.
During the past decade, deep learning's performance has been widely recognized in a variety of machine learning tasks, ranging from image classification, speech recognition to natural language understanding. Graph neural networks (GNN) are a type of deep learning that is designed to handle non-Euclidean issues using graph-structured data that are difficult to solve with traditional deep learning techniques. The majority of GNNs were created using a variety of processes, including random walk, PageRank, graph convolution, and heat diffusion, making direct comparisons impossible. Previous studies have primarily focused on classifying current models into distinct categories, with little investigation of their internal relationships. This research proposes a unified theoretical framework and a novel perspective that can methodologically integrate existing GNN into our framework. We survey and categorize existing GNN models into spatial and spectral domains, as well as show linkages between subcategories within each domain. Further investigation reveals a strong relationship between the spatial, spectral, and subgroups of these domains.