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The explosive growth of data fuels data-driven research, facilitating progress across diverse domains. The FAIR principles emerge as a guiding standard, aiming to enhance the findability, accessibility, interoperability, and reusability of data. However, current efforts primarily focus on manual data FAIRification, which can only handle targeted data and lack efficiency. To address this issue, we propose AutoFAIR, an architecture designed to enhance data FAIRness automately. Firstly, We align each data and metadata operation with specific FAIR indicators to guide machine-executable actions. Then, We utilize Web Reader to automatically extract metadata based on language models, even in the absence of structured data webpage schemas. Subsequently, FAIR Alignment is employed to make metadata comply with FAIR principles by ontology guidance and semantic matching. Finally, by applying AutoFAIR to various data, especially in the field of mountain hazards, we observe significant improvements in findability, accessibility, interoperability, and reusability of data. The FAIRness scores before and after applying AutoFAIR indicate enhanced data value.

Due to detector malfunctions and communication failures, missing data is ubiquitous during the collection of traffic data. Therefore, it is of vital importance to impute the missing values to facilitate data analysis and decision-making for Intelligent Transportation System (ITS). However, existing imputation methods generally perform zero pre-filling techniques to initialize missing values, introducing inevitable noises. Moreover, we observe prevalent over-smoothing interpolations, falling short in revealing the intrinsic spatio-temporal correlations of incomplete traffic data. To this end, we propose Mask-Aware Graph imputation Network: MagiNet. Our method designs an adaptive mask spatio-temporal encoder to learn the latent representations of incomplete data, eliminating the reliance on pre-filling missing values. Furthermore, we devise a spatio-temporal decoder that stacks multiple blocks to capture the inherent spatial and temporal dependencies within incomplete traffic data, alleviating over-smoothing imputation. Extensive experiments demonstrate that our method outperforms state-of-the-art imputation methods on five real-world traffic datasets, yielding an average improvement of 4.31% in RMSE and 3.72% in MAPE., Comment: 19 pages, 7 figures

Fault-tolerant quantum computing (FTQC) is essential for achieving large-scale practical quantum computation. Implementing arbitrary FTQC requires the execution of a universal gate set on logical qubits, which is highly challenging. Particularly, in the superconducting system, two-qubit gates on surface code logical qubits have not been realized. Here, we experimentally implement logical CNOT gate as well as arbitrary single-qubit rotation gates on distance-2 surface codes using the superconducting quantum processor \textit{Wukong}, thereby demonstrating a universal logical gate set. In the experiment, we design encoding circuits to prepare the required logical states, where the fidelities of the fault-tolerantly prepared logical states surpass those of the physical states. Furthermore, we demonstrate the transversal CNOT gate between two logical qubits and fault-tolerantly prepare four logical Bell states, all with fidelities exceeding those of the Bell states on the physical qubits. Using the logical CNOT gate and an ancilla logical state, arbitrary single-qubit rotation gate is implemented through gate teleportation. All logical gates are characterized on a complete state set and their fidelities are evaluated by logical Pauli transfer matrices. Implementation of the universal logical gate set and entangled logical states beyond physical fidelity marks a significant step towards FTQC on superconducting quantum processors., Comment: 15 pages, 12 figures

Accurately reconstructing the global ocean deoxygenation over a century is crucial for assessing and protecting marine ecosystem. Existing expert-dominated numerical simulations fail to catch up with the dynamic variation caused by global warming and human activities. Besides, due to the high-cost data collection, the historical observations are severely sparse, leading to big challenge for precise reconstruction. In this work, we propose OxyGenerator, the first deep learning based model, to reconstruct the global ocean deoxygenation from 1920 to 2023. Specifically, to address the heterogeneity across large temporal and spatial scales, we propose zoning-varying graph message-passing to capture the complex oceanographic correlations between missing values and sparse observations. Additionally, to further calibrate the uncertainty, we incorporate inductive bias from dissolved oxygen (DO) variations and chemical effects. Compared with in-situ DO observations, OxyGenerator significantly outperforms CMIP6 numerical simulations, reducing MAPE by 38.77%, demonstrating a promising potential to understand the "breathless ocean" in data-driven manner., Comment: Accepted to ICML 2024

Graph Neural Networks (GNNs) are widely deployed in vast fields, but they often struggle to maintain accurate representations as graphs evolve. We theoretically establish a lower bound, proving that under mild conditions, representation distortion inevitably occurs over time. To estimate the temporal distortion without human annotation after deployment, one naive approach is to pre-train a recurrent model (e.g., RNN) before deployment and use this model afterwards, but the estimation is far from satisfactory. In this paper, we analyze the representation distortion from an information theory perspective, and attribute it primarily to inaccurate feature extraction during evolution. Consequently, we introduce Smart, a straightforward and effective baseline enhanced by an adaptive feature extractor through self-supervised graph reconstruction. In synthetic random graphs, we further refine the former lower bound to show the inevitable distortion over time and empirically observe that Smart achieves good estimation performance. Moreover, we observe that Smart consistently shows outstanding generalization estimation on four real-world evolving graphs. The ablation studies underscore the necessity of graph reconstruction. For example, on OGB-arXiv dataset, the estimation metric MAPE deteriorates from 2.19% to 8.00% without reconstruction., Comment: Published as a conference paper at ICLR 2024

The exponential growth of scientific literature requires effective management and extraction of valuable insights. While existing scientific search engines excel at delivering search results based on relational databases, they often neglect the analysis of collaborations between scientific entities and the evolution of ideas, as well as the in-depth analysis of content within scientific publications. The representation of heterogeneous graphs and the effective measurement, analysis, and mining of such graphs pose significant challenges. To address these challenges, we present AceMap, an academic system designed for knowledge discovery through academic graph. We present advanced database construction techniques to build the comprehensive AceMap database with large-scale academic entities that contain rich visual, textual, and numerical information. AceMap also employs innovative visualization, quantification, and analysis methods to explore associations and logical relationships among academic entities. AceMap introduces large-scale academic network visualization techniques centered on nebular graphs, providing a comprehensive view of academic networks from multiple perspectives. In addition, AceMap proposes a unified metric based on structural entropy to quantitatively measure the knowledge content of different academic entities. Moreover, AceMap provides advanced analysis capabilities, including tracing the evolution of academic ideas through citation relationships and concept co-occurrence, and generating concise summaries informed by this evolutionary process. In addition, AceMap uses machine reading methods to generate potential new ideas at the intersection of different fields. Exploring the integration of large language models and knowledge graphs is a promising direction for future research in idea evolution. Please visit \url{https://www.acemap.info} for further exploration., Comment: Technical Report for AceMap (https://www.acemap.info)

A super-dense coding protocol based on the n-GHZ state is proposed to enable the two communicating parties to choose the number of transmitted code words according to their demand and to adapt the quantum super-dense coding protocol to multiple transmitted code word scenarios. A method is proposed that combines entanglement purification and Quantum Neural Network (QNN) to improve the channel capacity of super-dense coding. By simulating a realistic quantum communication noise environment in the Cirq platform, the effect of purification and QNN on the enhancement of fidelity and channel capacity in super-dense coding communication scenarios with different dimensions under unitary and non-unitary noise conditions is analyzed. The experimental results show that the channel capacity of super-dense coding is improved in different degrees when purification and QNN are applied separately, and the combination of purification and QNN has a superimposed effect on the channel capacity enhancement of super-dense coding, and the enhancement effect is more significant in different dimensions.

Crosstalk represents a formidable obstacle in quantum computing. When quantum gates are executed parallelly, the resonance of qubit frequencies can lead to residual coupling, compromising the fidelity. Existing crosstalk solutions encounter difficulties in mitigating crosstalk and decoherence when dealing with parallel two-qubit gates in frequency-tunable quantum chips. Inspired by the physical properties of frequency-tunable quantum chips, we introduce a Crosstalk-Aware Mapping and gatE Scheduling (CAMEL) approach to address these challenges. CAMEL aims to mitigate crosstalk of parallel two-qubit gates and suppress decoherence. Utilizing the features of the tunable coupler, the CAMEL approach integrates a pulse compensation method for crosstalk mitigation. Furthermore, we present a compilation framework, including two steps. Firstly, we devise a qubit mapping approach that accounts for both crosstalk and decoherence. Secondly, we introduce a gate timing scheduling approach capable of prioritizing the execution of the largest set of crosstalk-free parallel gates to shorten quantum circuit execution times. Evaluation results demonstrate the effectiveness of CAMEL in mitigating crosstalk compared to crosstalk-agnostic methods. Furthermore, in contrast to approaches serializing crosstalk gates, CAMEL successfully suppresses decoherence. Finally, CAMEL exhibits better performance over dynamic-frequency awareness in low-complexity hardware.

Graph Neural Network (GNN) has demonstrated extraordinary performance in classifying graph properties. However, due to the selection bias of training and testing data (e.g., training on small graphs and testing on large graphs, or training on dense graphs and testing on sparse graphs), distribution deviation is widespread. More importantly, we often observe \emph{hybrid structure distribution shift} of both scale and density, despite of one-sided biased data partition. The spurious correlations over hybrid distribution deviation degrade the performance of previous GNN methods and show large instability among different datasets. To alleviate this problem, we propose \texttt{OOD-GMixup} to jointly manipulate the training distribution with \emph{controllable data augmentation} in metric space. Specifically, we first extract the graph rationales to eliminate the spurious correlations due to irrelevant information. Secondly, we generate virtual samples with perturbation on graph rationale representation domain to obtain potential OOD training samples. Finally, we propose OOD calibration to measure the distribution deviation of virtual samples by leveraging Extreme Value Theory, and further actively control the training distribution by emphasizing the impact of virtual OOD samples. Extensive studies on several real-world datasets on graph classification demonstrate the superiority of our proposed method over state-of-the-art baselines., Comment: Under review

With the tremendous expansion of graphs data, node classification shows its great importance in many real-world applications. Existing graph neural network based methods mainly focus on classifying unlabeled nodes within fixed classes with abundant labeling. However, in many practical scenarios, graph evolves with emergence of new nodes and edges. Novel classes appear incrementally along with few labeling due to its newly emergence or lack of exploration. In this paper, we focus on this challenging but practical graph few-shot class-incremental learning (GFSCIL) problem and propose a novel method called Geometer. Instead of replacing and retraining the fully connected neural network classifer, Geometer predicts the label of a node by finding the nearest class prototype. Prototype is a vector representing a class in the metric space. With the pop-up of novel classes, Geometer learns and adjusts the attention-based prototypes by observing the geometric proximity, uniformity and separability. Teacher-student knowledge distillation and biased sampling are further introduced to mitigate catastrophic forgetting and unbalanced labeling problem respectively. Experimental results on four public datasets demonstrate that Geometer achieves a substantial improvement of 9.46% to 27.60% over state-of-the-art methods., Comment: Accepted to KDD2022

Spatio-temporal graph learning is a key method for urban computing tasks, such as traffic flow, taxi demand and air quality forecasting. Due to the high cost of data collection, some developing cities have few available data, which makes it infeasible to train a well-performed model. To address this challenge, cross-city knowledge transfer has shown its promise, where the model learned from data-sufficient cities is leveraged to benefit the learning process of data-scarce cities. However, the spatio-temporal graphs among different cities show irregular structures and varied features, which limits the feasibility of existing Few-Shot Learning (\emph{FSL}) methods. Therefore, we propose a model-agnostic few-shot learning framework for spatio-temporal graph called ST-GFSL. Specifically, to enhance feature extraction by transfering cross-city knowledge, ST-GFSL proposes to generate non-shared parameters based on node-level meta knowledge. The nodes in target city transfer the knowledge via parameter matching, retrieving from similar spatio-temporal characteristics. Furthermore, we propose to reconstruct the graph structure during meta-learning. The graph reconstruction loss is defined to guide structure-aware learning, avoiding structure deviation among different datasets. We conduct comprehensive experiments on four traffic speed prediction benchmarks and the results demonstrate the effectiveness of ST-GFSL compared with state-of-the-art methods., Comment: Accepted to KDD2022