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We study the optical generation and control of coherent phonons in elemental bismuth (Bi) and antimony (Sb) using a classical equation of motion informed by first-principles calculations of the potential energy surface and the frequency-dependent macroscopic dielectric function along the zone-centered optical phonons coordinates. Using this approach, we demonstrate that phonons with the largest optomechanical couplings, also have the strongest degree of anharmonicity among the zone-centered modes, a result of the broken symmetry structural ground state of Bi and Sb. We show how this anharmonicity, explaining the light-induced phonon softening observed in experiments, prevents the application of standard phonon-amplification and annihilation protocols. We introduce a simple linearization protocol that extends the use of such protocols to the case of anharmonic phonons in broken symmetry materials, and demonstrate its efficiency at high displacement amplitudes. Our formalism and results provide a path for improving optical control in non-linear phononics.

Heterogeneous Graph Neural Networks (HGNNs) have gained significant popularity in various heterogeneous graph learning tasks. However, most existing HGNNs rely on spatial domain-based methods to aggregate information, i.e., manually selected meta-paths or some heuristic modules, lacking theoretical guarantees. Furthermore, these methods cannot learn arbitrary valid heterogeneous graph filters within the spectral domain, which have limited expressiveness. To tackle these issues, we present a positive spectral heterogeneous graph convolution via positive noncommutative polynomials. Then, using this convolution, we propose PSHGCN, a novel Positive Spectral Heterogeneous Graph Convolutional Network. PSHGCN offers a simple yet effective method for learning valid heterogeneous graph filters. Moreover, we demonstrate the rationale of PSHGCN in the graph optimization framework. We conducted an extensive experimental study to show that PSHGCN can learn diverse heterogeneous graph filters and outperform all baselines on open benchmarks. Notably, PSHGCN exhibits remarkable scalability, efficiently handling large real-world graphs comprising millions of nodes and edges. Our codes are available at https://github.com/ivam-he/PSHGCN., Comment: The Web Conference 2024 (12 pages)

Node classification is a substantial problem in graph-based fraud detection. Many existing works adopt Graph Neural Networks (GNNs) to enhance fraud detectors. While promising, currently most GNN-based fraud detectors fail to generalize to the low homophily setting. Besides, label utilization has been proved to be significant factor for node classification problem. But we find they are less effective in fraud detection tasks due to the low homophily in graphs. In this work, we propose GAGA, a novel Group AGgregation enhanced TrAnsformer, to tackle the above challenges. Specifically, the group aggregation provides a portable method to cope with the low homophily issue. Such an aggregation explicitly integrates the label information to generate distinguishable neighborhood information. Along with group aggregation, an attempt towards end-to-end trainable group encoding is proposed which augments the original feature space with the class labels. Meanwhile, we devise two additional learnable encodings to recognize the structural and relational context. Then, we combine the group aggregation and the learnable encodings into a Transformer encoder to capture the semantic information. Experimental results clearly show that GAGA outperforms other competitive graph-based fraud detectors by up to 24.39% on two trending public datasets and a real-world industrial dataset from Anonymous. Even more, the group aggregation is demonstrated to outperform other label utilization methods (e.g., C&S, BoT/UniMP) in the low homophily setting., Comment: Accepted to The ACM Webconf 2023

Identifying high-quality webpages is fundamental for real-world search engines, which can fulfil users' information need with the less cognitive burden. Early studies of \emph{webpage quality assessment} usually design hand-crafted features that may only work on particular categories of webpages (e.g., shopping websites, medical websites). They can hardly be applied to real-world search engines that serve trillions of webpages with various types and purposes. In this paper, we propose a novel layout-aware webpage quality assessment model currently deployed in our search engine. Intuitively, layout is a universal and critical dimension for the quality assessment of different categories of webpages. Based on this, we directly employ the meta-data that describes a webpage, i.e., Document Object Model (DOM) tree, as the input of our model. The DOM tree data unifies the representation of webpages with different categories and purposes and indicates the layout of webpages. To assess webpage quality from complex DOM tree data, we propose a graph neural network (GNN) based method that extracts rich layout-aware information that implies webpage quality in an end-to-end manner. Moreover, we improve the GNN method with an attentive readout function, external web categories and a category-aware sampling method. We conduct rigorous offline and online experiments to show that our proposed solution is effective in real search engines, improving the overall usability and user experience., Comment: 10 pages, 5 figures

With the popularity of cryptocurrencies and the remarkable development of blockchain technology, decentralized applications emerged as a revolutionary force for the Internet. Meanwhile, decentralized applications have also attracted intense attention from the online gambling community, with more and more decentralized gambling platforms created through the help of smart contracts. Compared with conventional gambling platforms, decentralized gambling have transparent rules and a low participation threshold, attracting a substantial number of gamblers. In order to discover gambling behaviors and identify the contracts and addresses involved in gambling, we propose a tool termed ETHGamDet. The tool is able to automatically detect the smart contracts and addresses involved in gambling by scrutinizing the smart contract code and address transaction records. Interestingly, we present a novel LightGBM model with memory components, which possesses the ability to learn from its own misclassifications. As a side contribution, we construct and release a large-scale gambling dataset at https://github.com/AwesomeHuang/Bitcoin-Gambling-Dataset to facilitate future research in this field. Empirically, ETHGamDet achieves a F1-score of 0.72 and 0.89 in address classification and contract classification respectively, and offers novel and interesting insights.

Bitcoin is one of the decentralized cryptocurrencies powered by a peer-to-peer blockchain network. Parties who trade in the bitcoin network are not required to disclose any personal information. Such property of anonymity, however, precipitates potential malicious transactions to a certain extent. Indeed, various illegal activities such as money laundering, dark network trading, and gambling in the bitcoin network are nothing new now. While a proliferation of work has been developed to identify malicious bitcoin transactions, the behavior analysis and classification of bitcoin addresses are largely overlooked by existing tools. In this paper, we propose BAClassifier, a tool that can automatically classify bitcoin addresses based on their behaviors. Technically, we come up with the following three key designs. First, we consider casting the transactions of the bitcoin address into an address graph structure, of which we introduce a graph node compression technique and a graph structure augmentation method to characterize a unified graph representation. Furthermore, we leverage a graph feature network to learn the graph representations of each address and generate the graph embeddings. Finally, we aggregate all graph embeddings of an address into the address-level representation, and engage in a classification model to give the address behavior classification. As a side contribution, we construct and release a large-scale annotated dataset that consists of over 2 million real-world bitcoin addresses and concerns 4 types of address behaviors. Experimental results demonstrate that our proposed framework outperforms state-of-the-art bitcoin address classifiers and existing classification models, where the precision and F1-score are 96% and 95%, respectively. Our implementation and dataset are released, hoping to inspire others., Comment: This paper has been accepted by IEEE International Conference on Data Engineering 2023 (Second Research Round)

Recent years have witnessed the rise and success of pre-training techniques in visually-rich document understanding. However, most existing methods lack the systematic mining and utilization of layout-centered knowledge, leading to sub-optimal performances. In this paper, we propose ERNIE-Layout, a novel document pre-training solution with layout knowledge enhancement in the whole workflow, to learn better representations that combine the features from text, layout, and image. Specifically, we first rearrange input sequences in the serialization stage, and then present a correlative pre-training task, reading order prediction, to learn the proper reading order of documents. To improve the layout awareness of the model, we integrate a spatial-aware disentangled attention into the multi-modal transformer and a replaced regions prediction task into the pre-training phase. Experimental results show that ERNIE-Layout achieves superior performance on various downstream tasks, setting new state-of-the-art on key information extraction, document image classification, and document question answering datasets. The code and models are publicly available at http://github.com/PaddlePaddle/PaddleNLP/tree/develop/model_zoo/ernie-layout., Comment: Accepted to EMNLP 2022 (Findings)

Lensless cameras are characterized by several advantages (e.g., miniaturization, ease of manufacture, and low cost) as compared with conventional cameras. However, they have not been extensively employed due to their poor image clarity and low image resolution, especially for tasks that have high requirements on image quality and details such as text detection and text recognition. To address the problem, a framework of deep-learning-based pipeline structure was built to recognize text with three steps from raw data captured by employing lensless cameras. This pipeline structure consisted of the lensless imaging model U-Net, the text detection model connectionist text proposal network (CTPN), and the text recognition model convolutional recurrent neural network (CRNN). Compared with the method focusing only on image reconstruction, UNet in the pipeline was able to supplement the imaging details by enhancing factors related to character categories in the reconstruction process, so the textual information can be more effectively detected and recognized by CTPN and CRNN with fewer artifacts and high-clarity reconstructed lensless images. By performing experiments on datasets of different complexities, the applicability to text detection and recognition on lensless cameras was verified. This study reasonably demonstrates text detection and recognition tasks in the lensless camera system,and develops a basic method for novel applications.

Recent efforts of multimodal Transformers have improved Visually Rich Document Understanding (VrDU) tasks via incorporating visual and textual information. However, existing approaches mainly focus on fine-grained elements such as words and document image patches, making it hard for them to learn from coarse-grained elements, including natural lexical units like phrases and salient visual regions like prominent image regions. In this paper, we attach more importance to coarse-grained elements containing high-density information and consistent semantics, which are valuable for document understanding. At first, a document graph is proposed to model complex relationships among multi-grained multimodal elements, in which salient visual regions are detected by a cluster-based method. Then, a multi-grained multimodal Transformer called mmLayout is proposed to incorporate coarse-grained information into existing pre-trained fine-grained multimodal Transformers based on the graph. In mmLayout, coarse-grained information is aggregated from fine-grained, and then, after further processing, is fused back into fine-grained for final prediction. Furthermore, common sense enhancement is introduced to exploit the semantic information of natural lexical units. Experimental results on four tasks, including information extraction and document question answering, show that our method can improve the performance of multimodal Transformers based on fine-grained elements and achieve better performance with fewer parameters. Qualitative analyses show that our method can capture consistent semantics in coarse-grained elements., Comment: Accepted by ACM Multimedia 2022

Estimated time of arrival (ETA) prediction, also known as travel time estimation, is a fundamental task for a wide range of intelligent transportation applications, such as navigation, route planning, and ride-hailing services. To accurately predict the travel time of a route, it is essential to take into account both contextual and predictive factors, such as spatial-temporal interaction, driving behavior, and traffic congestion propagation inference. The ETA prediction models previously deployed at Baidu Maps have addressed the factors of spatial-temporal interaction (ConSTGAT) and driving behavior (SSML). In this work, we focus on modeling traffic congestion propagation patterns to improve ETA performance. Traffic congestion propagation pattern modeling is challenging, and it requires accounting for impact regions over time and cumulative effect of delay variations over time caused by traffic events on the road network. In this paper, we present a practical industrial-grade ETA prediction framework named DuETA. Specifically, we construct a congestion-sensitive graph based on the correlations of traffic patterns, and we develop a route-aware graph transformer to directly learn the long-distance correlations of the road segments. This design enables DuETA to capture the interactions between the road segment pairs that are spatially distant but highly correlated with traffic conditions. Extensive experiments are conducted on large-scale, real-world datasets collected from Baidu Maps. Experimental results show that ETA prediction can significantly benefit from the learned traffic congestion propagation patterns. In addition, DuETA has already been deployed in production at Baidu Maps, serving billions of requests every day. This demonstrates that DuETA is an industrial-grade and robust solution for large-scale ETA prediction services., Comment: To appear at CIKM 2022

Neural retrievers based on pre-trained language models (PLMs), such as dual-encoders, have achieved promising performance on the task of open-domain question answering (QA). Their effectiveness can further reach new state-of-the-arts by incorporating cross-architecture knowledge distillation. However, most of the existing studies just directly apply conventional distillation methods. They fail to consider the particular situation where the teacher and student have different structures. In this paper, we propose a novel distillation method that significantly advances cross-architecture distillation for dual-encoders. Our method 1) introduces a self on-the-fly distillation method that can effectively distill late interaction (i.e., ColBERT) to vanilla dual-encoder, and 2) incorporates a cascade distillation process to further improve the performance with a cross-encoder teacher. Extensive experiments are conducted to validate that our proposed solution outperforms strong baselines and establish a new state-of-the-art on open-domain QA benchmarks.

Relational graph neural networks have garnered particular attention to encode graph context in knowledge graphs (KGs). Although they achieved competitive performance on small KGs, how to efficiently and effectively utilize graph context for large KGs remains an open problem. To this end, we propose the Relation-based Embedding Propagation (REP) method. It is a post-processing technique to adapt pre-trained KG embeddings with graph context. As relations in KGs are directional, we model the incoming head context and the outgoing tail context separately. Accordingly, we design relational context functions with no external parameters. Besides, we use averaging to aggregate context information, making REP more computation-efficient. We theoretically prove that such designs can avoid information distortion during propagation. Extensive experiments also demonstrate that REP has significant scalability while improving or maintaining prediction quality. Notably, it averagely brings about 10% relative improvement to triplet-based embedding methods on OGBL-WikiKG2 and takes 5%-83% time to achieve comparable results as the state-of-the-art GC-OTE., Comment: Accepted by IJCAI 2022

Pre-trained models (PTMs) have become a fundamental backbone for downstream tasks in natural language processing and computer vision. Despite initial gains that were obtained by applying generic PTMs to geo-related tasks at Baidu Maps, a clear performance plateau over time was observed. One of the main reasons for this plateau is the lack of readily available geographic knowledge in generic PTMs. To address this problem, in this paper, we present ERNIE-GeoL, which is a geography-and-language pre-trained model designed and developed for improving the geo-related tasks at Baidu Maps. ERNIE-GeoL is elaborately designed to learn a universal representation of geography-language by pre-training on large-scale data generated from a heterogeneous graph that contains abundant geographic knowledge. Extensive quantitative and qualitative experiments conducted on large-scale real-world datasets demonstrate the superiority and effectiveness of ERNIE-GeoL. ERNIE-GeoL has already been deployed in production at Baidu Maps since April 2021, which significantly benefits the performance of various downstream tasks. This demonstrates that ERNIE-GeoL can serve as a fundamental backbone for a wide range of geo-related tasks., Comment: Accepted by KDD 2022, camera-ready version

In recent years, owing to the outstanding performance in graph representation learning, graph neural network (GNN) techniques have gained considerable interests in many real-world scenarios, such as recommender systems and social networks. In recommender systems, the main challenge is to learn the effective user/item representations from their interactions. However, many recent publications using GNNs for recommender systems cannot be directly compared, due to their difference on datasets and evaluation metrics. Furthermore, many of them only provide a demo to conduct experiments on small datasets, which is far away to be applied in real-world recommender systems. To address this problem, we introduce Graph4Rec, a universal toolkit that unifies the paradigm to train GNN models into the following parts: graphs input, random walk generation, ego graphs generation, pairs generation and GNNs selection. From this training pipeline, one can easily establish his own GNN model with a few configurations. Besides, we develop a large-scale graph engine and a parameter server to support distributed GNN training. We conduct a systematic and comprehensive experiment to compare the performance of different GNN models on several scenarios in different scale. Extensive experiments are demonstrated to identify the key components of GNNs. We also try to figure out how the sparse and dense parameters affect the performance of GNNs. Finally, we investigate methods including negative sampling, ego graph construction order, and warm start strategy to find a more effective and efficient GNNs practice on recommender systems. Our toolkit is based on PGL https://github.com/PaddlePaddle/PGL and the code is opened source in https://github.com/PaddlePaddle/PGL/tree/main/apps/Graph4Rec., Comment: 8 pages, 4 figures

We demonstrate that reflectionless propagation of electromagnetic waves between two different materials can be achieved by designing an intermediate temporal medium, which can work in an ultra-wide frequency band. Such a temporal medium is designed with consideration of a multi-stage variation of the material' s permittivity in the time domain. The multi-stage temporal permittivity is formed by a cascaded quarter-wave temporal coating, which is an extension of the antireflection temporal coating by Pacheco-Pe\~na et al [[1] Optica 7, 323 (2020)]. The strategy to render ultra-wideband antireflection temporal medium is discussed analytically and verified numerically. In-depth analysis shows that the multi-stage design of the temporal media implies a continuously temporal variation of the material' s constitutive parameters, thus an ultra-wideband antireflection temporal medium is reasonably obtained. As an illustrative example for application, the proposed temporal medium is adopted to realize impedance matching between a dielectric slab and free space, which validates our new findings., Comment: 9 pages, 5 figures, 1 table

WikiKG90M in KDD Cup 2021 is a large encyclopedic knowledge graph, which could benefit various downstream applications such as question answering and recommender systems. Participants are invited to complete the knowledge graph by predicting missing triplets. Recent representation learning methods have achieved great success on standard datasets like FB15k-237. Thus, we train the advanced algorithms in different domains to learn the triplets, including OTE, QuatE, RotatE and TransE. Significantly, we modified OTE into NOTE (short for Norm-OTE) for better performance. Besides, we use both the DeepWalk and the post-smoothing technique to capture the graph structure for supplementation. In addition to the representations, we also use various statistical probabilities among the head entities, the relations and the tail entities for the final prediction. Experimental results show that the ensemble of state-of-the-art representation learning methods could draw on each others strengths. And we develop feature engineering from validation candidates for further improvements. Please note that we apply the same strategy on the test set for final inference. And these features may not be practical in the real world when considering ranking against all the entities., Comment: The 1st solution for KDD-CUP 2021 WIKIKG90M-LSC. 7 pages, 2 figures, 1 table

In this report, we (SuperHelix team) present our solution to KDD Cup 2021-PCQM4M-LSC, a large-scale quantum chemistry dataset on predicting HOMO-LUMO gap of molecules. Our solution, Lite Geometry Enhanced Molecular representation learning (LiteGEM) achieves a mean absolute error (MAE) of 0.1204 on the test set with the help of deep graph neural networks and various self-supervised learning tasks. The code of the framework can be found in https://github.com/PaddlePaddle/PaddleHelix/tree/dev/competition/kddcup2021-PCQM4M-LSC/.

This paper describes the system designed by ERNIE Team which achieved the first place in SemEval-2020 Task 10: Emphasis Selection For Written Text in Visual Media. Given a sentence, we are asked to find out the most important words as the suggestion for automated design. We leverage the unsupervised pre-training model and finetune these models on our task. After our investigation, we found that the following models achieved an excellent performance in this task: ERNIE 2.0, XLM-ROBERTA, ROBERTA and ALBERT. We combine a pointwise regression loss and a pairwise ranking loss which is more close to the final M atchm metric to finetune our models. And we also find that additional feature engineering and data augmentation can help improve the performance. Our best model achieves the highest score of 0.823 and ranks first for all kinds of metrics

Code switching is a linguistic phenomenon that may occur within a multilingual setting where speakers share more than one language. With the increasing communication between groups with different languages, this phenomenon is more and more popular. However, there are little research and data in this area, especially in code-mixing sentiment classification. In this work, the domain transfer learning from state-of-the-art uni-language model ERNIE is tested on the code-mixing dataset, and surprisingly, a strong baseline is achieved. Furthermore, the adversarial training with a multi-lingual model is used to achieve 1st place of SemEval-2020 Task 9 Hindi-English sentiment classification competition.

Graph neural network (GNN) and label propagation algorithm (LPA) are both message passing algorithms, which have achieved superior performance in semi-supervised classification. GNN performs feature propagation by a neural network to make predictions, while LPA uses label propagation across graph adjacency matrix to get results. However, there is still no effective way to directly combine these two kinds of algorithms. To address this issue, we propose a novel Unified Message Passaging Model (UniMP) that can incorporate feature and label propagation at both training and inference time. First, UniMP adopts a Graph Transformer network, taking feature embedding and label embedding as input information for propagation. Second, to train the network without overfitting in self-loop input label information, UniMP introduces a masked label prediction strategy, in which some percentage of input label information are masked at random, and then predicted. UniMP conceptually unifies feature propagation and label propagation and is empirically powerful. It obtains new state-of-the-art semi-supervised classification results in Open Graph Benchmark (OGB)., Comment: 7 pages, 3 figures and 8 tables; Accepted by IJCAI 2021

Robotic failure is all too common in unstructured robot tasks. Despite well-designed controllers, robots often fail due to unexpected events. How do robots measure unexpected events? Many do not. Most robots are driven by the sense-plan act paradigm, however more recently robots are undergoing a sense-plan-act-verify paradigm. In this work, we present a principled methodology to bootstrap online robot introspection for contact tasks. In effect, we are trying to enable the robot to answer the question: what did I do? Is my behavior as expected or not? To this end, we analyze noisy wrench data and postulate that the latter inherently contains patterns that can be effectively represented by a vocabulary. The vocabulary is generated by segmenting and encoding the data. When the wrench information represents a sequence of sub-tasks, we can think of the vocabulary forming a sentence (set of words with grammar rules) for a given sub-task; allowing the latter to be uniquely represented. The grammar, which can also include unexpected events, was classified in offline and online scenarios as well as for simulated and real robot experiments. Multiclass Support Vector Machines (SVMs) were used offline, while online probabilistic SVMs were are used to give temporal confidence to the introspection result. The contribution of our work is the presentation of a generalizable online semantic scheme that enables a robot to understand its high-level state whether nominal or abnormal. It is shown to work in offline and online scenarios for a particularly challenging contact task: snap assemblies. We perform the snap assembly in one-arm simulated and real one-arm experiments and a simulated two-arm experiment. This verification mechanism can be used by high-level planners or reasoning systems to enable intelligent failure recovery or determine the next most optima manipulation skill to be used., Comment: arXiv admin note: substantial text overlap with arXiv:1609.04947

OCR character segmentation for multilingual printed documents is difficult due to the diversity of different linguistic characters. Previous approaches mainly focus on monolingual texts and are not suitable for multilingual-lingual cases. In this work, we particularly tackle the Chinese/English mixed case by reframing it as a semantic segmentation problem. We take advantage of the successful architecture called fully convolutional networks (FCN) in the field of semantic segmentation. Given a wide enough receptive field, FCN can utilize the necessary context around a horizontal position to determinate whether this is a splitting point or not. As a deep neural architecture, FCN can automatically learn useful features from raw text line images. Although trained on synthesized samples with simulated random disturbance, our FCN model generalizes well to real-world samples. The experimental results show that our model significantly outperforms the previous methods., Comment: Submitted to CVPR 2017

Robotic failure is all too common in unstructured robot tasks. Despite well designed controllers, robots often fail due to unexpected events. How do robots measure unexpected events? Many do not. Most robots are driven by the senseplan- act paradigm, however more recently robots are working with a sense-plan-act-verify paradigm. In this work we present a principled methodology to bootstrap robot introspection for contact tasks. In effect, we are trying to answer the question, what did the robot do? To this end, we hypothesize that all noisy wrench data inherently contains patterns that can be effectively represented by a vocabulary. The vocabulary is generated by meaningfully segmenting the data and then encoding it. When the wrench information represents a sequence of sub-tasks, we can think of the vocabulary forming sets of words or sentences, such that each subtask is uniquely represented by a word set. Such sets can be classified using statistical or machine learning techniques. We use SVMs and Mondrian Forests to classify contacts tasks both in simulation and in real robots for one and dual arm scenarios showing the general robustness of the approach. The contribution of our work is the presentation of a simple but generalizable semantic scheme that enables a robot to understand its high level state. This verification mechanism can provide feedback for high-level planners or reasoning systems that use semantic descriptors as well. The code, data, and other supporting documentation can be found at: http://www.juanrojas.net/2017icra_wrench_introspection., Comment: 8 page, 7 figures plus one 6 element subfigure

Uncertainty is a major difficulty in endowing robots with autonomy. Robots often fail due to unexpected events. In robot contact tasks are often design to empirically look for force thresholds to define state transitions in a Markov chain or finite state machines. Such design is prone to failure in unstructured environments, when due to external disturbances or erroneous models, such thresholds are met, and lead to state transitions that are false-positives. The focus of this paper is to perform high-level state estimation of robot behaviors and task output for robot contact tasks. Our approach encodes raw low-level 3D cartesian trajectories and converts them into a high level (HL) action grammars. Cartesian trajectories can be segmented and encoded in a way that their dynamic properties, or "texture" are preserved. Once an action grammar is generated, a classifier is trained to detect current behaviors and ultimately the task output. The system executed HL state estimation for task output verification with an accuracy of 86%, and behavior monitoring with an average accuracy of: 72%. The significance of the work is the transformation of difficult-to-use raw low-level data to HL data that enables robust behavior and task monitoring. Monitoring is useful for failure correction or other deliberation in high-level planning, programming by demonstration, and human-robot interaction to name a few., Comment: 7 pages, 7 figures. Supplementary information can be found at http://www.juanrojas.net/2016huamnoids-rojas-robot-contact-task-state-estimation-via-position-based-action-grammars/