Graph neural networks (GNNs) have emerged as a state-of-the-art approach to model and draw inferences from large scale graph-structured data in various application settings such as social networking. The primary goal of a GNN is to learn an embedding for each graph node in a dataset that encodes both the node features and the local graph structure around the node. Embeddings generated by a GNN for a graph node are unique to that GNN. Prior work has shown that GNNs are prone to model extraction attacks. Model extraction attacks and defenses have been explored extensively in other non-graph settings. While detecting or preventing model extraction appears to be difficult, deterring them via effective ownership verification techniques offer a potential defense. In non-graph settings, fingerprinting models, or the data used to build them, have shown to be a promising approach toward ownership verification. We present GrOVe, a state-of-the-art GNN model fingerprinting scheme that, given a target model and a suspect model, can reliably determine if the suspect model was trained independently of the target model or if it is a surrogate of the target model obtained via model extraction. We show that GrOVe can distinguish between surrogate and independent models even when the independent model uses the same training dataset and architecture as the original target model. Using six benchmark datasets and three model architectures, we show that consistently achieves low false-positive and false-negative rates. We demonstrate that is robust against known fingerprint evasion techniques while remaining computationally efficient.
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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。
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Compressing neural networks is a key step when deploying models for real-time or embedded applications. Factorizing the model's matrices using low-rank approximations is a promising method for achieving compression. While it is possible to set the rank before training, this approach is neither flexible nor optimal. In this work, we propose a post-training rank-selection method called Rank-Tuning that selects a different rank for each matrix. Used in combination with training adaptations, our method achieves high compression rates with no or little performance degradation. Our numerical experiments on signal processing tasks show that we can compress recurrent neural networks up to 14x with at most 1.4% relative performance reduction.
Knowledge graph completion (KGC) aims to discover missing relations of query entities. Current text-based models utilize the entity name and description to infer the tail entity given the head entity and a certain relation. Existing approaches also consider the neighborhood of the head entity. However, these methods tend to model the neighborhood using a flat structure and are only restricted to 1-hop neighbors. In this work, we propose a node neighborhood-enhanced framework for knowledge graph completion. It models the head entity neighborhood from multiple hops using graph neural networks to enrich the head node information. Moreover, we introduce an additional edge link prediction task to improve KGC. Evaluation on two public datasets shows that this framework is simple yet effective. The case study also shows that the model is able to predict explainable predictions.
Seismic full waveform inversion (FWI) is a widely used technique in geophysics for inferring subsurface structures from seismic data. And InversionNet is one of the most successful data-driven machine learning models that is applied to seismic FWI. However, the high computing costs to run InversionNet have made it challenging to be efficiently deployed on edge devices that are usually resource-constrained. Therefore, we propose to employ the structured pruning algorithm to get a lightweight version of InversionNet, which can make an efficient inference on edge devices. And we also made a prototype with Raspberry Pi to run the lightweight InversionNet. Experimental results show that the pruned InversionNet can achieve up to 98.2 % reduction in computing resources with moderate model performance degradation.
Diffusion probabilistic models (DPMs) have demonstrated a very promising ability in high-resolution image synthesis. However, sampling from a pre-trained DPM is time-consuming due to the multiple evaluations of the denoising network, making it more and more important to accelerate the sampling of DPMs. Despite recent progress in designing fast samplers, existing methods still cannot generate satisfying images in many applications where fewer steps (e.g., $<$10) are favored. In this paper, we develop a unified corrector (UniC) that can be applied after any existing DPM sampler to increase the order of accuracy without extra model evaluations, and derive a unified predictor (UniP) that supports arbitrary order as a byproduct. Combining UniP and UniC, we propose a unified predictor-corrector framework called UniPC for the fast sampling of DPMs, which has a unified analytical form for any order and can significantly improve the sampling quality over previous methods, especially in extremely few steps. We evaluate our methods through extensive experiments including both unconditional and conditional sampling using pixel-space and latent-space DPMs. Our UniPC can achieve 3.87 FID on CIFAR10 (unconditional) and 7.51 FID on ImageNet 256$\times$256 (conditional) with only 10 function evaluations. Code is available at //github.com/wl-zhao/UniPC.
As large language models (LLMs) become more prevalent, there is a growing need for new and improved quantization methods that can meet the computationalast layer demands of these modern architectures while maintaining the accuracy. In this paper, we present TEQ, a trainable equivalent transformation that preserves the FP32 precision of the model output while taking advantage of low-precision quantization, especially 3 and 4 bits weight-only quantization. The training process is lightweight, requiring only 1K steps and fewer than 0.1 percent of the original model's trainable parameters. Furthermore, the transformation does not add any computational overhead during inference. Our results are on-par with the state-of-the-art (SOTA) methods on typical LLMs. Our approach can be combined with other methods to achieve even better performance. The code is available at //github.com/intel/neural-compressor.
Recently, graph neural networks have been gaining a lot of attention to simulate dynamical systems due to their inductive nature leading to zero-shot generalizability. Similarly, physics-informed inductive biases in deep-learning frameworks have been shown to give superior performance in learning the dynamics of physical systems. There is a growing volume of literature that attempts to combine these two approaches. Here, we evaluate the performance of thirteen different graph neural networks, namely, Hamiltonian and Lagrangian graph neural networks, graph neural ODE, and their variants with explicit constraints and different architectures. We briefly explain the theoretical formulation highlighting the similarities and differences in the inductive biases and graph architecture of these systems. We evaluate these models on spring, pendulum, gravitational, and 3D deformable solid systems to compare the performance in terms of rollout error, conserved quantities such as energy and momentum, and generalizability to unseen system sizes. Our study demonstrates that GNNs with additional inductive biases, such as explicit constraints and decoupling of kinetic and potential energies, exhibit significantly enhanced performance. Further, all the physics-informed GNNs exhibit zero-shot generalizability to system sizes an order of magnitude larger than the training system, thus providing a promising route to simulate large-scale realistic systems.
Knowledge graph embedding (KGE) is a increasingly popular technique that aims to represent entities and relations of knowledge graphs into low-dimensional semantic spaces for a wide spectrum of applications such as link prediction, knowledge reasoning and knowledge completion. In this paper, we provide a systematic review of existing KGE techniques based on representation spaces. Particularly, we build a fine-grained classification to categorise the models based on three mathematical perspectives of the representation spaces: (1) Algebraic perspective, (2) Geometric perspective, and (3) Analytical perspective. We introduce the rigorous definitions of fundamental mathematical spaces before diving into KGE models and their mathematical properties. We further discuss different KGE methods over the three categories, as well as summarise how spatial advantages work over different embedding needs. By collating the experimental results from downstream tasks, we also explore the advantages of mathematical space in different scenarios and the reasons behind them. We further state some promising research directions from a representation space perspective, with which we hope to inspire researchers to design their KGE models as well as their related applications with more consideration of their mathematical space properties.
In pace with developments in the research field of artificial intelligence, knowledge graphs (KGs) have attracted a surge of interest from both academia and industry. As a representation of semantic relations between entities, KGs have proven to be particularly relevant for natural language processing (NLP), experiencing a rapid spread and wide adoption within recent years. Given the increasing amount of research work in this area, several KG-related approaches have been surveyed in the NLP research community. However, a comprehensive study that categorizes established topics and reviews the maturity of individual research streams remains absent to this day. Contributing to closing this gap, we systematically analyzed 507 papers from the literature on KGs in NLP. Our survey encompasses a multifaceted review of tasks, research types, and contributions. As a result, we present a structured overview of the research landscape, provide a taxonomy of tasks, summarize our findings, and highlight directions for future work.
We propose a novel attention gate (AG) model for medical imaging that automatically learns to focus on target structures of varying shapes and sizes. Models trained with AGs implicitly learn to suppress irrelevant regions in an input image while highlighting salient features useful for a specific task. This enables us to eliminate the necessity of using explicit external tissue/organ localisation modules of cascaded convolutional neural networks (CNNs). AGs can be easily integrated into standard CNN architectures such as the U-Net model with minimal computational overhead while increasing the model sensitivity and prediction accuracy. The proposed Attention U-Net architecture is evaluated on two large CT abdominal datasets for multi-class image segmentation. Experimental results show that AGs consistently improve the prediction performance of U-Net across different datasets and training sizes while preserving computational efficiency. The code for the proposed architecture is publicly available.
Spectral clustering is a leading and popular technique in unsupervised data analysis. Two of its major limitations are scalability and generalization of the spectral embedding (i.e., out-of-sample-extension). In this paper we introduce a deep learning approach to spectral clustering that overcomes the above shortcomings. Our network, which we call SpectralNet, learns a map that embeds input data points into the eigenspace of their associated graph Laplacian matrix and subsequently clusters them. We train SpectralNet using a procedure that involves constrained stochastic optimization. Stochastic optimization allows it to scale to large datasets, while the constraints, which are implemented using a special-purpose output layer, allow us to keep the network output orthogonal. Moreover, the map learned by SpectralNet naturally generalizes the spectral embedding to unseen data points. To further improve the quality of the clustering, we replace the standard pairwise Gaussian affinities with affinities leaned from unlabeled data using a Siamese network. Additional improvement can be achieved by applying the network to code representations produced, e.g., by standard autoencoders. Our end-to-end learning procedure is fully unsupervised. In addition, we apply VC dimension theory to derive a lower bound on the size of SpectralNet. State-of-the-art clustering results are reported on the Reuters dataset. Our implementation is publicly available at //github.com/kstant0725/SpectralNet .
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