In many environmental applications, recurrent neural networks (RNNs) are often used to model physical variables with long temporal dependencies. However, due to mini-batch training, temporal relationships between training segments within the batch (intra-batch) as well as between batches (inter-batch) are not considered, which can lead to limited performance. Stateful RNNs aim to address this issue by passing hidden states between batches. Since Stateful RNNs ignore intra-batch temporal dependency, there exists a trade-off between training stability and capturing temporal dependency. In this paper, we provide a quantitative comparison of different Stateful RNN modeling strategies, and propose two strategies to enforce both intra- and inter-batch temporal dependency. First, we extend Stateful RNNs by defining a batch as a temporally ordered set of training segments, which enables intra-batch sharing of temporal information. While this approach significantly improves the performance, it leads to much larger training times due to highly sequential training. To address this issue, we further propose a new strategy which augments a training segment with an initial value of the target variable from the timestep right before the starting of the training segment. In other words, we provide an initial value of the target variable as additional input so that the network can focus on learning changes relative to that initial value. By using this strategy, samples can be passed in any order (mini-batch training) which significantly reduces the training time while maintaining the performance. In demonstrating our approach in hydrological modeling, we observe that the most significant gains in predictive accuracy occur when these methods are applied to state variables whose values change more slowly, such as soil water and snowpack, rather than continuously moving flux variables such as streamflow.
Recently, neural networks have been widely applied for solving partial differential equations (PDEs). Although such methods have been proven remarkably successful on practical engineering problems, they have not been shown, theoretically or empirically, to converge to the underlying PDE solution with arbitrarily high accuracy. The primary difficulty lies in solving the highly non-convex optimization problems resulting from the neural network discretization, which are difficult to treat both theoretically and practically. It is our goal in this work to take a step toward remedying this. For this purpose, we develop a novel greedy training algorithm for shallow neural networks. Our method is applicable to both the variational formulation of the PDE and also to the residual minimization formulation pioneered by physics informed neural networks (PINNs). We analyze the method and obtain a priori error bounds when solving PDEs from the function class defined by shallow networks, which rigorously establishes the convergence of the method as the network size increases. Finally, we test the algorithm on several benchmark examples, including high dimensional PDEs, to confirm the theoretical convergence rate. Although the method is expensive relative to traditional approaches such as finite element methods, we view this work as a proof of concept for neural network-based methods, which shows that numerical methods based upon neural networks can be shown to rigorously converge.
Backpropagation algorithm has been widely used as a mainstream learning procedure for neural networks in the past decade, and has played a significant role in the development of deep learning. However, there exist some limitations associated with this algorithm, such as getting stuck in local minima and experiencing vanishing/exploding gradients, which have led to questions about its biological plausibility. To address these limitations, alternative algorithms to backpropagation have been preliminarily explored, with the Forward-Forward (FF) algorithm being one of the most well-known. In this paper we propose a new learning framework for neural networks, namely Cascaded Forward (CaFo) algorithm, which does not rely on BP optimization as that in FF. Unlike FF, our framework directly outputs label distributions at each cascaded block, which does not require generation of additional negative samples and thus leads to a more efficient process at both training and testing. Moreover, in our framework each block can be trained independently, so it can be easily deployed into parallel acceleration systems. The proposed method is evaluated on four public image classification benchmarks, and the experimental results illustrate significant improvement in prediction accuracy in comparison with the baseline.
Deep learning surrogate models are being increasingly used in accelerating scientific simulations as a replacement for costly conventional numerical techniques. However, their use remains a significant challenge when dealing with real-world complex examples. In this work, we demonstrate three types of neural network architectures for efficient learning of highly non-linear deformations of solid bodies. The first two architectures are based on the recently proposed CNN U-NET and MAgNET (graph U-NET) frameworks which have shown promising performance for learning on mesh-based data. The third architecture is Perceiver IO, a very recent architecture that belongs to the family of attention-based neural networks--a class that has revolutionised diverse engineering fields and is still unexplored in computational mechanics. We study and compare the performance of all three networks on two benchmark examples, and show their capabilities to accurately predict the non-linear mechanical responses of soft bodies.
Deep reinforcement learning is actively used for training autonomous car policies in a simulated driving environment. Due to the large availability of various reinforcement learning algorithms and the lack of their systematic comparison across different driving scenarios, we are unsure of which ones are more effective for training autonomous car software in single-agent as well as multi-agent driving environments. A benchmarking framework for the comparison of deep reinforcement learning in a vision-based autonomous driving will open up the possibilities for training better autonomous car driving policies. To address these challenges, we provide an open and reusable benchmarking framework for systematic evaluation and comparative analysis of deep reinforcement learning algorithms for autonomous driving in a single- and multi-agent environment. Using the framework, we perform a comparative study of discrete and continuous action space deep reinforcement learning algorithms. We also propose a comprehensive multi-objective reward function designed for the evaluation of deep reinforcement learning-based autonomous driving agents. We run the experiments in a vision-only high-fidelity urban driving simulated environments. The results indicate that only some of the deep reinforcement learning algorithms perform consistently better across single and multi-agent scenarios when trained in various multi-agent-only environment settings. For example, A3C- and TD3-based autonomous cars perform comparatively better in terms of more robust actions and minimal driving errors in both single and multi-agent scenarios. We conclude that different deep reinforcement learning algorithms exhibit different driving and testing performance in different scenarios, which underlines the need for their systematic comparative analysis. The benchmarking framework proposed in this paper facilitates such a comparison.
Novel class discovery (NCD) aims at learning a model that transfers the common knowledge from a class-disjoint labelled dataset to another unlabelled dataset and discovers new classes (clusters) within it. Many methods, as well as elaborate training pipelines and appropriate objectives, have been proposed and considerably boosted performance on NCD tasks. Despite all this, we find that the existing methods do not sufficiently take advantage of the essence of the NCD setting. To this end, in this paper, we propose to model both inter-class and intra-class constraints in NCD based on the symmetric Kullback-Leibler divergence (sKLD). Specifically, we propose an inter-class sKLD constraint to effectively exploit the disjoint relationship between labelled and unlabelled classes, enforcing the separability for different classes in the embedding space. In addition, we present an intra-class sKLD constraint to explicitly constrain the intra-relationship between a sample and its augmentations and ensure the stability of the training process at the same time. We conduct extensive experiments on the popular CIFAR10, CIFAR100 and ImageNet benchmarks and successfully demonstrate that our method can establish a new state of the art and can achieve significant performance improvements, e.g., 3.5%/3.7% clustering accuracy improvements on CIFAR100-50 dataset split under the task-aware/-agnostic evaluation protocol, over previous state-of-the-art methods. Code is available at //github.com/FanZhichen/NCD-IIC.
Temporal relational modeling in video is essential for human action understanding, such as action recognition and action segmentation. Although Graph Convolution Networks (GCNs) have shown promising advantages in relation reasoning on many tasks, it is still a challenge to apply graph convolution networks on long video sequences effectively. The main reason is that large number of nodes (i.e., video frames) makes GCNs hard to capture and model temporal relations in videos. To tackle this problem, in this paper, we introduce an effective GCN module, Dilated Temporal Graph Reasoning Module (DTGRM), designed to model temporal relations and dependencies between video frames at various time spans. In particular, we capture and model temporal relations via constructing multi-level dilated temporal graphs where the nodes represent frames from different moments in video. Moreover, to enhance temporal reasoning ability of the proposed model, an auxiliary self-supervised task is proposed to encourage the dilated temporal graph reasoning module to find and correct wrong temporal relations in videos. Our DTGRM model outperforms state-of-the-art action segmentation models on three challenging datasets: 50Salads, Georgia Tech Egocentric Activities (GTEA), and the Breakfast dataset. The code is available at //github.com/redwang/DTGRM.
Graph Neural Networks (GNNs) have recently become increasingly popular due to their ability to learn complex systems of relations or interactions arising in a broad spectrum of problems ranging from biology and particle physics to social networks and recommendation systems. Despite the plethora of different models for deep learning on graphs, few approaches have been proposed thus far for dealing with graphs that present some sort of dynamic nature (e.g. evolving features or connectivity over time). In this paper, we present Temporal Graph Networks (TGNs), a generic, efficient framework for deep learning on dynamic graphs represented as sequences of timed events. Thanks to a novel combination of memory modules and graph-based operators, TGNs are able to significantly outperform previous approaches being at the same time more computationally efficient. We furthermore show that several previous models for learning on dynamic graphs can be cast as specific instances of our framework. We perform a detailed ablation study of different components of our framework and devise the best configuration that achieves state-of-the-art performance on several transductive and inductive prediction tasks for dynamic graphs.
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.
This paper addresses the difficulty of forecasting multiple financial time series (TS) conjointly using deep neural networks (DNN). We investigate whether DNN-based models could forecast these TS more efficiently by learning their representation directly. To this end, we make use of the dynamic factor graph (DFG) from that we enhance by proposing a novel variable-length attention-based mechanism to render it memory-augmented. Using this mechanism, we propose an unsupervised DNN architecture for multivariate TS forecasting that allows to learn and take advantage of the relationships between these TS. We test our model on two datasets covering 19 years of investment funds activities. Our experimental results show that our proposed approach outperforms significantly typical DNN-based and statistical models at forecasting their 21-day price trajectory.
Knowledge graph (KG) embedding encodes the entities and relations from a KG into low-dimensional vector spaces to support various applications such as KG completion, question answering, and recommender systems. In real world, knowledge graphs (KGs) are dynamic and evolve over time with addition or deletion of triples. However, most existing models focus on embedding static KGs while neglecting dynamics. To adapt to the changes in a KG, these models need to be re-trained on the whole KG with a high time cost. In this paper, to tackle the aforementioned problem, we propose a new context-aware Dynamic Knowledge Graph Embedding (DKGE) method which supports the embedding learning in an online fashion. DKGE introduces two different representations (i.e., knowledge embedding and contextual element embedding) for each entity and each relation, in the joint modeling of entities and relations as well as their contexts, by employing two attentive graph convolutional networks, a gate strategy, and translation operations. This effectively helps limit the impacts of a KG update in certain regions, not in the entire graph, so that DKGE can rapidly acquire the updated KG embedding by a proposed online learning algorithm. Furthermore, DKGE can also learn KG embedding from scratch. Experiments on the tasks of link prediction and question answering in a dynamic environment demonstrate the effectiveness and efficiency of DKGE.