Temporal graphs are a popular modelling mechanism for dynamic complex systems that extend ordinary graphs with discrete time. Simply put, time progresses one unit per step and the availability of edges can change with time. We consider the complexity of solving $\omega$-regular games played on temporal graphs where the edge availability is ultimately periodic and fixed a priori. We show that solving parity games on temporal graphs is decidable in PSPACE, only assuming the edge predicate itself is in PSPACE. A matching lower bound already holds for what we call punctual reachability games on static graphs, where one player wants to reach the target at a given, binary encoded, point in time. We further study syntactic restrictions that imply more efficient procedures. In particular, if the edge predicate is in $P$ and is monotonically increasing for one player and decreasing for the other, then the complexity of solving games is only polynomially increased compared to static graphs.
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We propose a new method for cloth digitalization. Deviating from existing methods which learn from data captured under relatively casual settings, we propose to learn from data captured in strictly tested measuring protocols, and find plausible physical parameters of the cloths. However, such data is currently absent, so we first propose a new dataset with accurate cloth measurements. Further, the data size is considerably smaller than the ones in current deep learning, due to the nature of the data capture process. To learn from small data, we propose a new Bayesian differentiable cloth model to estimate the complex material heterogeneity of real cloths. It can provide highly accurate digitalization from very limited data samples. Through exhaustive evaluation and comparison, we show our method is accurate in cloth digitalization, efficient in learning from limited data samples, and general in capturing material variations. Code and data are available //github.com/realcrane/Bayesian-Differentiable-Physics-for-Cloth-Digitalization
Multi-view clustering method based on anchor graph has been widely concerned due to its high efficiency and effectiveness. In order to avoid post-processing, most of the existing anchor graph-based methods learn bipartite graphs with connected components. However, such methods have high requirements on parameters, and in some cases it may not be possible to obtain bipartite graphs with clear connected components. To end this, we propose a label learning method based on tensor projection (LLMTP). Specifically, we project anchor graph into the label space through an orthogonal projection matrix to obtain cluster labels directly. Considering that the spatial structure information of multi-view data may be ignored to a certain extent when projected in different views separately, we extend the matrix projection transformation to tensor projection, so that the spatial structure information between views can be fully utilized. In addition, we introduce the tensor Schatten $p$-norm regularization to make the clustering label matrices of different views as consistent as possible. Extensive experiments have proved the effectiveness of the proposed method.
Existing hierarchical forecasting techniques scale poorly when the number of time series increases. We propose to learn a coherent forecast for millions of time series with a single bottom-level forecast model by using a sparse loss function that directly optimizes the hierarchical product and/or temporal structure. The benefit of our sparse hierarchical loss function is that it provides practitioners a method of producing bottom-level forecasts that are coherent to any chosen cross-sectional or temporal hierarchy. In addition, removing the need for a post-processing step as required in traditional hierarchical forecasting techniques reduces the computational cost of the prediction phase in the forecasting pipeline. On the public M5 dataset, our sparse hierarchical loss function performs up to 10% (RMSE) better compared to the baseline loss function. We implement our sparse hierarchical loss function within an existing forecasting model at bol, a large European e-commerce platform, resulting in an improved forecasting performance of 2% at the product level. Finally, we found an increase in forecasting performance of about 5-10% when evaluating the forecasting performance across the cross-sectional hierarchies that we defined. These results demonstrate the usefulness of our sparse hierarchical loss applied to a production forecasting system at a major e-commerce platform.
Visual place recognition (VPR) is a fundamental task for many applications such as robot localization and augmented reality. Recently, the hierarchical VPR methods have received considerable attention due to the trade-off between accuracy and efficiency. They usually first use global features to retrieve the candidate images, then verify the spatial consistency of matched local features for re-ranking. However, the latter typically relies on the RANSAC algorithm for fitting homography, which is time-consuming and non-differentiable. This makes existing methods compromise to train the network only in global feature extraction. Here, we propose a transformer-based deep homography estimation (DHE) network that takes the dense feature map extracted by a backbone network as input and fits homography for fast and learnable geometric verification. Moreover, we design a re-projection error of inliers loss to train the DHE network without additional homography labels, which can also be jointly trained with the backbone network to help it extract the features that are more suitable for local matching. Extensive experiments on benchmark datasets show that our method can outperform several state-of-the-art methods. And it is more than one order of magnitude faster than the mainstream hierarchical VPR methods using RANSAC. The code is released at //github.com/Lu-Feng/DHE-VPR.
We introduce a new interpretation of sparse variational approximations for Gaussian processes using inducing points, which can lead to more scalable algorithms than previous methods. It is based on decomposing a Gaussian process as a sum of two independent processes: one spanned by a finite basis of inducing points and the other capturing the remaining variation. We show that this formulation recovers existing approximations and at the same time allows to obtain tighter lower bounds on the marginal likelihood and new stochastic variational inference algorithms. We demonstrate the efficiency of these algorithms in several Gaussian process models ranging from standard regression to multi-class classification using (deep) convolutional Gaussian processes and report state-of-the-art results on CIFAR-10 among purely GP-based models.
Geometric deep learning (GDL), which is based on neural network architectures that incorporate and process symmetry information, has emerged as a recent paradigm in artificial intelligence. GDL bears particular promise in molecular modeling applications, in which various molecular representations with different symmetry properties and levels of abstraction exist. This review provides a structured and harmonized overview of molecular GDL, highlighting its applications in drug discovery, chemical synthesis prediction, and quantum chemistry. Emphasis is placed on the relevance of the learned molecular features and their complementarity to well-established molecular descriptors. This review provides an overview of current challenges and opportunities, and presents a forecast of the future of GDL for molecular sciences.
Humans perceive the world by concurrently processing and fusing high-dimensional inputs from multiple modalities such as vision and audio. Machine perception models, in stark contrast, are typically modality-specific and optimised for unimodal benchmarks, and hence late-stage fusion of final representations or predictions from each modality (`late-fusion') is still a dominant paradigm for multimodal video classification. Instead, we introduce a novel transformer based architecture that uses `fusion bottlenecks' for modality fusion at multiple layers. Compared to traditional pairwise self-attention, our model forces information between different modalities to pass through a small number of bottleneck latents, requiring the model to collate and condense the most relevant information in each modality and only share what is necessary. We find that such a strategy improves fusion performance, at the same time reducing computational cost. We conduct thorough ablation studies, and achieve state-of-the-art results on multiple audio-visual classification benchmarks including Audioset, Epic-Kitchens and VGGSound. All code and models will be released.
Data augmentation has been widely used to improve generalizability of machine learning models. However, comparatively little work studies data augmentation for graphs. This is largely due to the complex, non-Euclidean structure of graphs, which limits possible manipulation operations. Augmentation operations commonly used in vision and language have no analogs for graphs. Our work studies graph data augmentation for graph neural networks (GNNs) in the context of improving semi-supervised node-classification. We discuss practical and theoretical motivations, considerations and strategies for graph data augmentation. Our work shows that neural edge predictors can effectively encode class-homophilic structure to promote intra-class edges and demote inter-class edges in given graph structure, and our main contribution introduces the GAug graph data augmentation framework, which leverages these insights to improve performance in GNN-based node classification via edge prediction. Extensive experiments on multiple benchmarks show that augmentation via GAug improves performance across GNN architectures and datasets.
Graph Neural Networks (GNNs) have been shown to be effective models for different predictive tasks on graph-structured data. Recent work on their expressive power has focused on isomorphism tasks and countable feature spaces. We extend this theoretical framework to include continuous features - which occur regularly in real-world input domains and within the hidden layers of GNNs - and we demonstrate the requirement for multiple aggregation functions in this context. Accordingly, we propose Principal Neighbourhood Aggregation (PNA), a novel architecture combining multiple aggregators with degree-scalers (which generalize the sum aggregator). Finally, we compare the capacity of different models to capture and exploit the graph structure via a novel benchmark containing multiple tasks taken from classical graph theory, alongside existing benchmarks from real-world domains, all of which demonstrate the strength of our model. With this work, we hope to steer some of the GNN research towards new aggregation methods which we believe are essential in the search for powerful and robust models.
Knowledge graph completion aims to predict missing relations between entities in a knowledge graph. While many different methods have been proposed, there is a lack of a unifying framework that would lead to state-of-the-art results. Here we develop PathCon, a knowledge graph completion method that harnesses four novel insights to outperform existing methods. PathCon predicts relations between a pair of entities by: (1) Considering the Relational Context of each entity by capturing the relation types adjacent to the entity and modeled through a novel edge-based message passing scheme; (2) Considering the Relational Paths capturing all paths between the two entities; And, (3) adaptively integrating the Relational Context and Relational Path through a learnable attention mechanism. Importantly, (4) in contrast to conventional node-based representations, PathCon represents context and path only using the relation types, which makes it applicable in an inductive setting. Experimental results on knowledge graph benchmarks as well as our newly proposed dataset show that PathCon outperforms state-of-the-art knowledge graph completion methods by a large margin. Finally, PathCon is able to provide interpretable explanations by identifying relations that provide the context and paths that are important for a given predicted relation.
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