Meta-structures are widely used to define which subset of neighbors to aggregate information in heterogeneous information networks (HINs). In this work, we investigate existing meta-structures, including meta-path and meta-graph, and observe that they are initially designed manually with fixed patterns and hence are insufficient to encode various rich semantic information on diverse HINs. Through reflection on their limitation, we define a new concept called meta-multigraph as a more expressive and flexible generalization of meta-graph, and propose a stable differentiable search method to automatically optimize the meta-multigraph for specific HINs and tasks. As the flexibility of meta-multigraphs may propagate redundant messages, we further introduce a complex-to-concise (C2C) meta-multigraph that propagates messages from complex to concise along the depth of meta-multigraph. Moreover, we observe that the differentiable search typically suffers from unstable search and a significant gap between the meta-structures in search and evaluation. To this end, we propose a progressive search algorithm by implicitly narrowing the search space to improve search stability and reduce inconsistency. Extensive experiments are conducted on six medium-scale benchmark datasets and one large-scale benchmark dataset over two representative tasks, i.e., node classification and recommendation. Empirical results demonstrate that our search methods can automatically find expressive meta-multigraphs and C2C meta-multigraphs, enabling our model to outperform state-of-the-art heterogeneous graph neural networks.
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Field-programmable gate arrays (FPGAs) are widely used to implement deep learning inference. Standard deep neural network inference involves the computation of interleaved linear maps and nonlinear activation functions. Prior work for ultra-low latency implementations has hardcoded the combination of linear maps and nonlinear activations inside FPGA lookup tables (LUTs). Our work is motivated by the idea that the LUTs in an FPGA can be used to implement a much greater variety of functions than this. In this paper, we propose a novel approach to training neural networks for FPGA deployment using multivariate polynomials as the basic building block. Our method takes advantage of the flexibility offered by the soft logic, hiding the polynomial evaluation inside the LUTs with zero overhead. We show that by using polynomial building blocks, we can achieve the same accuracy using considerably fewer layers of soft logic than by using linear functions, leading to significant latency and area improvements. We demonstrate the effectiveness of this approach in three tasks: network intrusion detection, jet identification at the CERN Large Hadron Collider, and handwritten digit recognition using the MNIST dataset.
In volume rendering, transfer functions are used to classify structures of interest, and to assign optical properties such as color and opacity. They are commonly defined as 1D or 2D functions that map simple features to these optical properties. As the process of designing a transfer function is typically tedious and unintuitive, several approaches have been proposed for their interactive specification. In this paper, we present a novel method to define transfer functions for volume rendering by leveraging the feature extraction capabilities of self-supervised pre-trained vision transformers. To design a transfer function, users simply select the structures of interest in a slice viewer, and our method automatically selects similar structures based on the high-level features extracted by the neural network. Contrary to previous learning-based transfer function approaches, our method does not require training of models and allows for quick inference, enabling an interactive exploration of the volume data. Our approach reduces the amount of necessary annotations by interactively informing the user about the current classification, so they can focus on annotating the structures of interest that still require annotation. In practice, this allows users to design transfer functions within seconds, instead of minutes. We compare our method to existing learning-based approaches in terms of annotation and compute time, as well as with respect to segmentation accuracy. Our accompanying video showcases the interactivity and effectiveness of our method.
Plug-and-Play (PnP) methods are a class of efficient iterative methods that aim to combine data fidelity terms and deep denoisers using classical optimization algorithms, such as ISTA or ADMM. Provable PnP methods are a subclass of PnP methods with convergence guarantees, such as fixed point convergence or convergence to critical points of some energy function. Many existing provable PnP methods impose heavy restrictions on the denoiser or fidelity function, such as non-expansiveness or strict convexity, respectively. In this work, we propose a novel algorithmic approach incorporating quasi-Newton steps into a provable PnP framework based on proximal denoisers, resulting in greatly accelerated convergence while retaining light assumptions on the denoiser. By characterizing the denoiser as the proximal operator of a weakly convex function, we show that the fixed points of the proposed quasi-Newton PnP algorithm are critical points of a weakly convex function. Numerical experiments on image deblurring and super-resolution demonstrate significantly faster convergence as compared to other provable PnP methods with similar convergence results.
Semantic-aware communication is a novel paradigm that draws inspiration from human communication focusing on the delivery of the meaning of messages. It has attracted significant interest recently due to its potential to improve the efficiency and reliability of communication and enhance users' QoE. Most existing works focus on transmitting and delivering the explicit semantic meaning that can be directly identified from the source signal. This paper investigates the implicit semantic-aware communication in which the hidden information that cannot be directly observed from the source signal must be recognized and interpreted by the intended users. To this end, a novel implicit semantic-aware communication (iSAC) architecture is proposed for representing, communicating, and interpreting the implicit semantic meaning between source and destination users. A projection-based semantic encoder is proposed to convert the high-dimensional graphical representation of explicit semantics into a low-dimensional semantic constellation space for efficient physical channel transmission. To enable the destination user to learn and imitate the implicit semantic reasoning process of source user, a generative adversarial imitation learning-based solution, called G-RML, is proposed. Different from existing communication solutions, the source user in G-RML does not focus only on sending as much of the useful messages as possible; but, instead, it tries to guide the destination user to learn a reasoning mechanism to map any observed explicit semantics to the corresponding implicit semantics that are most relevant to the semantic meaning. Compared to the existing solutions, our proposed G-RML requires much less communication and computational resources and scales well to the scenarios involving the communication of rich semantic meanings consisting of a large number of concepts and relations.
Mixture-of-Experts models are commonly used when there exist distinct clusters with different relationships between the independent and dependent variables. Fitting such models for large datasets, however, is computationally virtually impossible. An attractive alternative is to use a subdata selected by ``maximizing" the Fisher information matrix. A major challenge is that no closed-form expression for the Fisher information matrix is available for such models. Focusing on clusterwise linear regression models, a subclass of MoE models, we develop a framework that overcomes this challenge. We prove that the proposed subdata selection approach is asymptotically optimal, i.e., no other method is statistically more efficient than the proposed one when the full data size is large.
Determining, understanding, and predicting the so-called structure-property relation is an important task in many scientific disciplines, such as chemistry, biology, meteorology, physics, engineering, and materials science. Structure refers to the spatial distribution of, e.g., substances, material, or matter in general, while property is a resulting characteristic that usually depends in a non-trivial way on spatial details of the structure. Traditionally, forward simulations models have been used for such tasks. Recently, several machine learning algorithms have been applied in these scientific fields to enhance and accelerate simulation models or as surrogate models. In this work, we develop and investigate the applications of six machine learning techniques based on two different datasets from the domain of materials science: data from a two-dimensional Ising model for predicting the formation of magnetic domains and data representing the evolution of dual-phase microstructures from the Cahn-Hilliard model. We analyze the accuracy and robustness of all models and elucidate the reasons for the differences in their performances. The impact of including domain knowledge through tailored features is studied, and general recommendations based on the availability and quality of training data are derived from this.
Unsupervised domain adaptation has recently emerged as an effective paradigm for generalizing deep neural networks to new target domains. However, there is still enormous potential to be tapped to reach the fully supervised performance. In this paper, we present a novel active learning strategy to assist knowledge transfer in the target domain, dubbed active domain adaptation. We start from an observation that energy-based models exhibit free energy biases when training (source) and test (target) data come from different distributions. Inspired by this inherent mechanism, we empirically reveal that a simple yet efficient energy-based sampling strategy sheds light on selecting the most valuable target samples than existing approaches requiring particular architectures or computation of the distances. Our algorithm, Energy-based Active Domain Adaptation (EADA), queries groups of targe data that incorporate both domain characteristic and instance uncertainty into every selection round. Meanwhile, by aligning the free energy of target data compact around the source domain via a regularization term, domain gap can be implicitly diminished. Through extensive experiments, we show that EADA surpasses state-of-the-art methods on well-known challenging benchmarks with substantial improvements, making it a useful option in the open world. Code is available at //github.com/BIT-DA/EADA.
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.
Since real-world objects and their interactions are often multi-modal and multi-typed, heterogeneous networks have been widely used as a more powerful, realistic, and generic superclass of traditional homogeneous networks (graphs). Meanwhile, representation learning (\aka~embedding) has recently been intensively studied and shown effective for various network mining and analytical tasks. In this work, we aim to provide a unified framework to deeply summarize and evaluate existing research on heterogeneous network embedding (HNE), which includes but goes beyond a normal survey. Since there has already been a broad body of HNE algorithms, as the first contribution of this work, we provide a generic paradigm for the systematic categorization and analysis over the merits of various existing HNE algorithms. Moreover, existing HNE algorithms, though mostly claimed generic, are often evaluated on different datasets. Understandable due to the application favor of HNE, such indirect comparisons largely hinder the proper attribution of improved task performance towards effective data preprocessing and novel technical design, especially considering the various ways possible to construct a heterogeneous network from real-world application data. Therefore, as the second contribution, we create four benchmark datasets with various properties regarding scale, structure, attribute/label availability, and \etc.~from different sources, towards handy and fair evaluations of HNE algorithms. As the third contribution, we carefully refactor and amend the implementations and create friendly interfaces for 13 popular HNE algorithms, and provide all-around comparisons among them over multiple tasks and experimental settings.
InteractE: Improving Convolution-based Knowledge Graph Embeddings by Increasing Feature Interactions
Most existing knowledge graphs suffer from incompleteness, which can be alleviated by inferring missing links based on known facts. One popular way to accomplish this is to generate low-dimensional embeddings of entities and relations, and use these to make inferences. ConvE, a recently proposed approach, applies convolutional filters on 2D reshapings of entity and relation embeddings in order to capture rich interactions between their components. However, the number of interactions that ConvE can capture is limited. In this paper, we analyze how increasing the number of these interactions affects link prediction performance, and utilize our observations to propose InteractE. InteractE is based on three key ideas -- feature permutation, a novel feature reshaping, and circular convolution. Through extensive experiments, we find that InteractE outperforms state-of-the-art convolutional link prediction baselines on FB15k-237. Further, InteractE achieves an MRR score that is 9%, 7.5%, and 23% better than ConvE on the FB15k-237, WN18RR and YAGO3-10 datasets respectively. The results validate our central hypothesis -- that increasing feature interaction is beneficial to link prediction performance. We make the source code of InteractE available to encourage reproducible research.
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