Graph neural networks (GNNs) have received remarkable success in link prediction (GNNLP) tasks. Existing efforts first predefine the subgraph for the whole dataset and then apply GNNs to encode edge representations by leveraging the neighborhood structure induced by the fixed subgraph. The prominence of GNNLP methods significantly relies on the adhoc subgraph. Since node connectivity in real-world graphs is complex, one shared subgraph is limited for all edges. Thus, the choices of subgraphs should be personalized to different edges. However, performing personalized subgraph selection is nontrivial since the potential selection space grows exponentially to the scale of edges. Besides, the inference edges are not available during training in link prediction scenarios, so the selection process needs to be inductive. To bridge the gap, we introduce a Personalized Subgraph Selector (PS2) as a plug-and-play framework to automatically, personally, and inductively identify optimal subgraphs for different edges when performing GNNLP. PS2 is instantiated as a bi-level optimization problem that can be efficiently solved differently. Coupling GNNLP models with PS2, we suggest a brand-new angle towards GNNLP training: by first identifying the optimal subgraphs for edges; and then focusing on training the inference model by using the sampled subgraphs. Comprehensive experiments endorse the effectiveness of our proposed method across various GNNLP backbones (GCN, GraphSage, NGCF, LightGCN, and SEAL) and diverse benchmarks (Planetoid, OGB, and Recommendation datasets). Our code is publicly available at \url{https://github.com/qiaoyu-tan/PS2}

Molecular representation learning is crucial for the problem of molecular property prediction, where graph neural networks (GNNs) serve as an effective solution due to their structure modeling capabilities. Since labeled data is often scarce and expensive to obtain, it is a great challenge for GNNs to generalize in the extensive molecular space. Recently, the training paradigm of "pre-train, fine-tune" has been leveraged to improve the generalization capabilities of GNNs. It uses self-supervised information to pre-train the GNN, and then performs fine-tuning to optimize the downstream task with just a few labels. However, pre-training does not always yield statistically significant improvement, especially for self-supervised learning with random structural masking. In fact, the molecular structure is characterized by motif subgraphs, which are frequently occurring and influence molecular properties. To leverage the task-related motifs, we propose a novel paradigm of "pre-train, prompt, fine-tune" for molecular representation learning, named molecule continuous prompt tuning (MolCPT). MolCPT defines a motif prompting function that uses the pre-trained model to project the standalone input into an expressive prompt. The prompt effectively augments the molecular graph with meaningful motifs in the continuous representation space; this provides more structural patterns to aid the downstream classifier in identifying molecular properties. Extensive experiments on several benchmark datasets show that MolCPT efficiently generalizes pre-trained GNNs for molecular property prediction, with or without a few fine-tuning steps.

Modeling noise transition matrix is a kind of promising method for learning with label noise. Based on the estimated noise transition matrix and the noisy posterior probabilities, the clean posterior probabilities, which are jointly called Label Distribution (LD) in this paper, can be calculated as the supervision. To reliably estimate the noise transition matrix, some methods assume that anchor points are available during training. Nonetheless, if anchor points are invalid, the noise transition matrix might be poorly learned, resulting in poor performance. Consequently, other methods treat reliable data points, extracted from training data, as pseudo anchor points. However, from a statistical point of view, the noise transition matrix can be inferred from data with noisy labels under the clean-label-domination assumption. Therefore, we aim to estimate the noise transition matrix without (pseudo) anchor points. There is evidence showing that samples are more likely to be mislabeled as other similar class labels, which means the mislabeling probability is highly correlated with the inter-class correlation. Inspired by this observation, we propose an instance-specific Label Distribution Regularization (LDR), in which the instance-specific LD is estimated as the supervision, to prevent DCNNs from memorizing noisy labels. Specifically, we estimate the noisy posterior under the supervision of noisy labels, and approximate the batch-level noise transition matrix by estimating the inter-class correlation matrix with neither anchor points nor pseudo anchor points. Experimental results on two synthetic noisy datasets and two real-world noisy datasets demonstrate that our LDR outperforms existing methods.

Federated learning (FL) has been recognized as a privacy-preserving distributed machine learning paradigm that enables knowledge sharing among various heterogeneous artificial intelligence (AIoT) devices through centralized global model aggregation. FL suffers from model inaccuracy and slow convergence due to the model heterogeneity of the AIoT devices involved. Although various existing methods try to solve the bottleneck of the model heterogeneity problem, most of them improve the accuracy of heterogeneous models in a coarse-grained manner, which makes it still a great challenge to deploy large-scale AIoT devices. To alleviate the negative impact of this problem and take full advantage of the diversity of each heterogeneous model, we propose an efficient framework named HierarchyFL, which uses a small amount of public data for efficient and scalable knowledge across a variety of differently structured models. By using self-distillation and our proposed ensemble library, each hierarchical model can intelligently learn from each other on cloud servers. Experimental results on various well-known datasets show that HierarchyFL can not only maximize the knowledge sharing among various heterogeneous models in large-scale AIoT systems, but also greatly improve the model performance of each involved heterogeneous AIoT device.

We propose eXtensible Prompt (X-Prompt) for prompting a large language model (LLM) beyond natural language (NL). X-Prompt instructs an LLM with not only NL but also an extensible vocabulary of imaginary words that are introduced to help represent what NL words hardly describe, allowing a prompt to be more descriptive. Like NL prompts, X-Prompt is out-of-distribution (OOD) robust, for which we propose context-guided learning with prompt augmentation to learn its imaginary words for general usability, enabling them to use in different prompt contexts for fine-grain specifications. The promising results of X-Prompt demonstrate its potential of approaching advanced interaction between humans and LLMs to bridge their communication gap.

The prediction of protein structures from sequences is an important task for function prediction, drug design, and related biological processes understanding. Recent advances have proved the power of language models (LMs) in processing the protein sequence databases, which inherit the advantages of attention networks and capture useful information in learning representations for proteins. The past two years have witnessed remarkable success in tertiary protein structure prediction (PSP), including evolution-based and single-sequence-based PSP. It seems that instead of using energy-based models and sampling procedures, protein language model (pLM)-based pipelines have emerged as mainstream paradigms in PSP. Despite the fruitful progress, the PSP community needs a systematic and up-to-date survey to help bridge the gap between LMs in the natural language processing (NLP) and PSP domains and introduce their methodologies, advancements and practical applications. To this end, in this paper, we first introduce the similarities between protein and human languages that allow LMs extended to pLMs, and applied to protein databases. Then, we systematically review recent advances in LMs and pLMs from the perspectives of network architectures, pre-training strategies, applications, and commonly-used protein databases. Next, different types of methods for PSP are discussed, particularly how the pLM-based architectures function in the process of protein folding. Finally, we identify challenges faced by the PSP community and foresee promising research directions along with the advances of pLMs. This survey aims to be a hands-on guide for researchers to understand PSP methods, develop pLMs and tackle challenging problems in this field for practical purposes.

Knowledge graph data are prevalent in real-world applications, and knowledge graph neural networks (KGNNs) are essential techniques for knowledge graph representation learning. Although KGNN effectively models the structural information from knowledge graphs, these frameworks amplify the underlying data bias that leads to discrimination towards certain groups or individuals in resulting applications. Additionally, as existing debiasing approaches mainly focus on the entity-wise bias, eliminating the multi-hop relational bias that pervasively exists in knowledge graphs remains an open question. However, it is very challenging to eliminate relational bias due to the sparsity of the paths that generate the bias and the non-linear proximity structure of knowledge graphs. To tackle the challenges, we propose Fair-KGNN, a KGNN framework that simultaneously alleviates multi-hop bias and preserves the proximity information of entity-to-relation in knowledge graphs. The proposed framework is generalizable to mitigate the relational bias for all types of KGNN. We develop two instances of Fair-KGNN incorporating with two state-of-the-art KGNN models, RGCN and CompGCN, to mitigate gender-occupation and nationality-salary bias. The experiments carried out on three benchmark knowledge graph datasets demonstrate that the Fair-KGNN can effectively mitigate unfair situations during representation learning while preserving the predictive performance of KGNN models.

流量数据长期遭受缺失和腐败的困扰，从而导致随后的智能运输系统（ITS）应用程序的准确性和效用降低。注意到流量数据的固有低级属性，大量研究将缺少的流量数据恢复为低级张量完成（LRTC）问题。由于LRTC中的秩最小化的非跨性别性和离散性，现有方法要么用凸面替代等级代替等级替代等级函数，要么以涉及许多参数的非convex替代物，或近似等级。在这项研究中，我们提出了一个用于交通数据恢复的无参数的非凸张量完成模型（TC-PFNC），其中设计了基于日志的松弛项以近似张量代数级别。此外，以前的研究通常认为观察结果是可靠的，没有任何异常值。因此，我们通过对潜在的流量数据异常值进行建模，将TC-PFNC扩展到了强大的版本（RTC-PFNC），该数据可以从部分和损坏的观测值中恢复缺失的值并在观测中删除异常。基于交替的方向乘数法（ADMM）详细阐述了TC-PFNC和RTC-PFNC的数值解。在四个现实世界流量数据集上进行的广泛实验结果表明，所提出的方法在缺失和损坏的数据恢复中都优于其他最先进的方法。本文使用的代码可在以下网址获得：https：//github.com/younghe49/t-ITSPFNC。

自动化的腹部多器官分割是计算机辅助诊断腹部器官相关疾病的至关重要但具有挑战性的任务。尽管许多深度学习模型在许多医学图像分割任务中取得了显着的成功，但由于腹部器官的不同大小以及它们之间的含糊界限，腹部器官的准确分割仍然具有挑战性。在本文中，我们提出了一个边界感知网络（BA-NET），以分段CT扫描和MRI扫描进行腹部器官。该模型包含共享编码器，边界解码器和分割解码器。两个解码器都采用了多尺度的深度监督策略，这可以减轻可变器官尺寸引起的问题。边界解码器在每个量表上产生的边界概率图被用作提高分割特征图的注意。我们评估了腹部多器官细分（AMOS）挑战数据集的BA-NET，并获得了CT扫描的多器官分割的平均骰子分数为89.29 $ \％$，平均骰子得分为71.92 $ \％$ \％$ \％ MRI扫描。结果表明，在两个分割任务上，BA-NET优于NNUNET。

肾脏结构细分是计算机辅助诊断基于手术的肾癌的至关重要但具有挑战性的任务。尽管许多深度学习模型在许多医学图像分割任务中取得了显着的成功，但由于肾脏肿瘤的尺寸可变，肾脏肿瘤及其周围环境之间的歧义范围可变，因此对计算机层析造影血管造影（CTA）图像的肾脏结构的准确分割仍然具有挑战性。 。在本文中，我们在CTA扫描中提出了一个边界感知网络（BA-NET），以分段肾脏，肾脏肿瘤，动脉和静脉。该模型包含共享编码器，边界解码器和分割解码器。两个解码器都采用了多尺度的深度监督策略，这可以减轻肿瘤大小可变的问题。边界解码器在每个量表上产生的边界概率图被用作提高分割特征图的注意。我们在肾脏解析（KIPA）挑战数据集上评估了BA-NET，并通过使用4倍的交叉验证来实现CTA扫描的肾脏结构细分的平均骰子得分为89.65 $ \％$。结果证明了BA-NET的有效性。