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Constitutive models are widely used for modeling complex systems in science and engineering, where first-principle-based, well-resolved simulations are often prohibitively expensive. For example, in fluid dynamics, constitutive models are required to describe nonlocal, unresolved physics such as turbulence and laminar-turbulent transition. However, traditional constitutive models based on partial differential equations (PDEs) often lack robustness and are too rigid to accommodate diverse calibration datasets. We propose a frame-independent, nonlocal constitutive model based on a vector-cloud neural network that can be learned with data. The model predicts the closure variable at a point based on the flow information in its neighborhood. Such nonlocal information is represented by a group of points, each having a feature vector attached to it, and thus the input is referred to as vector cloud. The cloud is mapped to the closure variable through a frame-independent neural network, invariant both to coordinate translation and rotation and to the ordering of points in the cloud. As such, the network can deal with any number of arbitrarily arranged grid points and thus is suitable for unstructured meshes in fluid simulations. The merits of the proposed network are demonstrated for scalar transport PDEs on a family of parameterized periodic hill geometries. The vector-cloud neural network is a promising tool not only as nonlocal constitutive models and but also as general surrogate models for PDEs on irregular domains.

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ACM/IEEE第23屆模型驅動工程語言和系統國際會議,是模型驅動軟件和系統工程的首要會議系列,由ACM-SIGSOFT和IEEE-TCSE支持組織。自1998年以來,模型涵蓋了建模的各個方面,從語言和方法到工具和應用程序。模特的參加者來自不同的背景,包括研究人員、學者、工程師和工業專業人士。MODELS 2019是一個論壇,參與者可以圍繞建模和模型驅動的軟件和系統交流前沿研究成果和創新實踐經驗。今年的版本將為建模社區提供進一步推進建模基礎的機會,并在網絡物理系統、嵌入式系統、社會技術系統、云計算、大數據、機器學習、安全、開源等新興領域提出建模的創新應用以及可持續性。 官網鏈接: · 圖形處理器 · · Neural Networks · Networking ·
2022 年 1 月 13 日

Quantum machine learning is a fast emerging field that aims to tackle machine learning using quantum algorithms and quantum computing. Due to the lack of physical qubits and an effective means to map real-world data from Euclidean space to Hilbert space, most of these methods focus on quantum analogies or process simulations rather than devising concrete architectures based on qubits. In this paper, we propose a novel hybrid quantum-classical algorithm for graph-structured data, which we refer to as the Decompositional Quantum Graph Neural Network (DQGNN). DQGNN implements the GNN theoretical framework using the tensor product and unity matrices representation, which greatly reduces the number of model parameters required. When controlled by a classical computer, DQGNN can accommodate arbitrarily sized graphs by processing substructures from the input graph using a modestly-sized quantum device. The architecture is based on a novel mapping from real-world data to Hilbert space. This mapping maintains the distance relations present in the data and reduces information loss. Experimental results show that the proposed method outperforms competitive state-of-the-art models with only 1.68\% parameters compared to those models.

State-of-the-art language models (LMs) represented by long-short term memory recurrent neural networks (LSTM-RNNs) and Transformers are becoming increasingly complex and expensive for practical applications. Low-bit neural network quantization provides a powerful solution to dramatically reduce their model size. Current quantization methods are based on uniform precision and fail to account for the varying performance sensitivity at different parts of LMs to quantization errors. To this end, novel mixed precision neural network LM quantization methods are proposed in this paper. The optimal local precision choices for LSTM-RNN and Transformer based neural LMs are automatically learned using three techniques. The first two approaches are based on quantization sensitivity metrics in the form of either the KL-divergence measured between full precision and quantized LMs, or Hessian trace weighted quantization perturbation that can be approximated efficiently using matrix free techniques. The third approach is based on mixed precision neural architecture search. In order to overcome the difficulty in using gradient descent methods to directly estimate discrete quantized weights, alternating direction methods of multipliers (ADMM) are used to efficiently train quantized LMs. Experiments were conducted on state-of-the-art LF-MMI CNN-TDNN systems featuring speed perturbation, i-Vector and learning hidden unit contribution (LHUC) based speaker adaptation on two tasks: Switchboard telephone speech and AMI meeting transcription. The proposed mixed precision quantization techniques achieved "lossless" quantization on both tasks, by producing model size compression ratios of up to approximately 16 times over the full precision LSTM and Transformer baseline LMs, while incurring no statistically significant word error rate increase.

Co-evolving time series appears in a multitude of applications such as environmental monitoring, financial analysis, and smart transportation. This paper aims to address the following challenges, including (C1) how to incorporate explicit relationship networks of the time series; (C2) how to model the implicit relationship of the temporal dynamics. We propose a novel model called Network of Tensor Time Series, which is comprised of two modules, including Tensor Graph Convolutional Network (TGCN) and Tensor Recurrent Neural Network (TRNN). TGCN tackles the first challenge by generalizing Graph Convolutional Network (GCN) for flat graphs to tensor graphs, which captures the synergy between multiple graphs associated with the tensors. TRNN leverages tensor decomposition to model the implicit relationships among co-evolving time series. The experimental results on five real-world datasets demonstrate the efficacy of the proposed method.

In order to overcome the expressive limitations of graph neural networks (GNNs), we propose the first method that exploits vector flows over graphs to develop globally consistent directional and asymmetric aggregation functions. We show that our directional graph networks (DGNs) generalize convolutional neural networks (CNNs) when applied on a grid. Whereas recent theoretical works focus on understanding local neighbourhoods, local structures and local isomorphism with no global information flow, our novel theoretical framework allows directional convolutional kernels in any graph. First, by defining a vector field in the graph, we develop a method of applying directional derivatives and smoothing by projecting node-specific messages into the field. Then we propose the use of the Laplacian eigenvectors as such vector field, and we show that the method generalizes CNNs on an n-dimensional grid, and is provably more discriminative than standard GNNs regarding the Weisfeiler-Lehman 1-WL test. Finally, we bring the power of CNN data augmentation to graphs by providing a means of doing reflection, rotation and distortion on the underlying directional field. We evaluate our method on different standard benchmarks and see a relative error reduction of 8\% on the CIFAR10 graph dataset and 11% to 32% on the molecular ZINC dataset. An important outcome of this work is that it enables to translate any physical or biological problems with intrinsic directional axes into a graph network formalism with an embedded directional field.

Graph neural network (GNN) has shown superior performance in dealing with graphs, which has attracted considerable research attention recently. However, most of the existing GNN models are primarily designed for graphs in Euclidean spaces. Recent research has proven that the graph data exhibits non-Euclidean latent anatomy. Unfortunately, there was rarely study of GNN in non-Euclidean settings so far. To bridge this gap, in this paper, we study the GNN with attention mechanism in hyperbolic spaces at the first attempt. The research of hyperbolic GNN has some unique challenges: since the hyperbolic spaces are not vector spaces, the vector operations (e.g., vector addition, subtraction, and scalar multiplication) cannot be carried. To tackle this problem, we employ the gyrovector spaces, which provide an elegant algebraic formalism for hyperbolic geometry, to transform the features in a graph; and then we propose the hyperbolic proximity based attention mechanism to aggregate the features. Moreover, as mathematical operations in hyperbolic spaces could be more complicated than those in Euclidean spaces, we further devise a novel acceleration strategy using logarithmic and exponential mappings to improve the efficiency of our proposed model. The comprehensive experimental results on four real-world datasets demonstrate the performance of our proposed hyperbolic graph attention network model, by comparisons with other state-of-the-art baseline methods.

Self-attention network (SAN) has recently attracted increasing interest due to its fully parallelized computation and flexibility in modeling dependencies. It can be further enhanced with multi-headed attention mechanism by allowing the model to jointly attend to information from different representation subspaces at different positions (Vaswani et al., 2017). In this work, we propose a novel convolutional self-attention network (CSAN), which offers SAN the abilities to 1) capture neighboring dependencies, and 2) model the interaction between multiple attention heads. Experimental results on WMT14 English-to-German translation task demonstrate that the proposed approach outperforms both the strong Transformer baseline and other existing works on enhancing the locality of SAN. Comparing with previous work, our model does not introduce any new parameters.

With the advent of deep neural networks, learning-based approaches for 3D reconstruction have gained popularity. However, unlike for images, in 3D there is no canonical representation which is both computationally and memory efficient yet allows for representing high-resolution geometry of arbitrary topology. Many of the state-of-the-art learning-based 3D reconstruction approaches can hence only represent very coarse 3D geometry or are limited to a restricted domain. In this paper, we propose occupancy networks, a new representation for learning-based 3D reconstruction methods. Occupancy networks implicitly represent the 3D surface as the continuous decision boundary of a deep neural network classifier. In contrast to existing approaches, our representation encodes a description of the 3D output at infinite resolution without excessive memory footprint. We validate that our representation can efficiently encode 3D structure and can be inferred from various kinds of input. Our experiments demonstrate competitive results, both qualitatively and quantitatively, for the challenging tasks of 3D reconstruction from single images, noisy point clouds and coarse discrete voxel grids. We believe that occupancy networks will become a useful tool in a wide variety of learning-based 3D tasks.

The application of deep learning to symbolic domains remains an active research endeavour. Graph neural networks (GNN), consisting of trained neural modules which can be arranged in different topologies at run time, are sound alternatives to tackle relational problems which lend themselves to graph representations. In this paper, we show that GNNs are capable of multitask learning, which can be naturally enforced by training the model to refine a single set of multidimensional embeddings $\in \mathbb{R}^d$ and decode them into multiple outputs by connecting MLPs at the end of the pipeline. We demonstrate the multitask learning capability of the model in the relevant relational problem of estimating network centrality measures, i.e. is vertex $v_1$ more central than vertex $v_2$ given centrality $c$?. We then show that a GNN can be trained to develop a $lingua$ $franca$ of vertex embeddings from which all relevant information about any of the trained centrality measures can be decoded. The proposed model achieves $89\%$ accuracy on a test dataset of random instances with up to 128 vertices and is shown to generalise to larger problem sizes. The model is also shown to obtain reasonable accuracy on a dataset of real world instances with up to 4k vertices, vastly surpassing the sizes of the largest instances with which the model was trained ($n=128$). Finally, we believe that our contributions attest to the potential of GNNs in symbolic domains in general and in relational learning in particular.

When extracting information from handwritten documents, text transcription and named entity recognition are usually faced as separate subsequent tasks. This has the disadvantage that errors in the first module affect heavily the performance of the second module. In this work we propose to do both tasks jointly, using a single neural network with a common architecture used for plain text recognition. Experimentally, the work has been tested on a collection of historical marriage records. Results of experiments are presented to show the effect on the performance for different configurations: different ways of encoding the information, doing or not transfer learning and processing at text line or multi-line region level. The results are comparable to state of the art reported in the ICDAR 2017 Information Extraction competition, even though the proposed technique does not use any dictionaries, language modeling or post processing.

Many natural language processing tasks solely rely on sparse dependencies between a few tokens in a sentence. Soft attention mechanisms show promising performance in modeling local/global dependencies by soft probabilities between every two tokens, but they are not effective and efficient when applied to long sentences. By contrast, hard attention mechanisms directly select a subset of tokens but are difficult and inefficient to train due to their combinatorial nature. In this paper, we integrate both soft and hard attention into one context fusion model, "reinforced self-attention (ReSA)", for the mutual benefit of each other. In ReSA, a hard attention trims a sequence for a soft self-attention to process, while the soft attention feeds reward signals back to facilitate the training of the hard one. For this purpose, we develop a novel hard attention called "reinforced sequence sampling (RSS)", selecting tokens in parallel and trained via policy gradient. Using two RSS modules, ReSA efficiently extracts the sparse dependencies between each pair of selected tokens. We finally propose an RNN/CNN-free sentence-encoding model, "reinforced self-attention network (ReSAN)", solely based on ReSA. It achieves state-of-the-art performance on both Stanford Natural Language Inference (SNLI) and Sentences Involving Compositional Knowledge (SICK) datasets.

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