Zero-Shot Learning (ZSL), which aims at automatically recognizing unseen objects, is a promising learning paradigm to understand new real-world knowledge for machines continuously. Recently, the Knowledge Graph (KG) has been proven as an effective scheme for handling the zero-shot task with large-scale and non-attribute data. Prior studies always embed relationships of seen and unseen objects into visual information from existing knowledge graphs to promote the cognitive ability of the unseen data. Actually, real-world knowledge is naturally formed by multimodal facts. Compared with ordinary structural knowledge from a graph perspective, multimodal KG can provide cognitive systems with fine-grained knowledge. For example, the text description and visual content can depict more critical details of a fact than only depending on knowledge triplets. Unfortunately, this multimodal fine-grained knowledge is largely unexploited due to the bottleneck of feature alignment between different modalities. To that end, we propose a multimodal intensive ZSL framework that matches regions of images with corresponding semantic embeddings via a designed dense attention module and self-calibration loss. It makes the semantic transfer process of our ZSL framework learns more differentiated knowledge between entities. Our model also gets rid of the performance limitation of only using rough global features. We conduct extensive experiments and evaluate our model on large-scale real-world data. The experimental results clearly demonstrate the effectiveness of the proposed model in standard zero-shot classification tasks.

Finding multiple temporal relationships among locations can benefit a bunch of urban applications, such as dynamic offline advertising and smart public transport planning. While some efforts have been made on finding static relationships among locations, little attention is focused on studying time-aware location relationships. Indeed, abundant location-based human activities are time-varying and the availability of these data enables a new paradigm for understanding the dynamic relationships in a period among connective locations. To this end, we propose to study a new problem, namely multi-Temporal relationship inference among locations (Trial for short), where the major challenge is how to integrate dynamic and geographical influence under the relationship sparsity constraint. Specifically, we propose a solution to Trial with a graph learning scheme, which includes a spatially evolving graph neural network (SEENet) with two collaborative components: spatially evolving graph convolution module (SEConv) and spatially evolving self-supervised learning strategy (SE-SSL). SEConv performs the intra-time aggregation and inter-time propagation to capture the multifaceted spatially evolving contexts from the view of location message passing. In addition, SE-SSL designs time-aware self-supervised learning tasks in a global-local manner with additional evolving constraint to enhance the location representation learning and further handle the relationship sparsity. Finally, experiments on four real-world datasets demonstrate the superiority of our method over several state-of-the-art approaches.

Text Classification is one of the fundamental tasks in natural language processing, which requires an agent to determine the most appropriate category for input sentences. Recently, deep neural networks have achieved impressive performance in this area, especially Pre-trained Language Models (PLMs). Usually, these methods concentrate on input sentences and corresponding semantic embedding generation. However, for another essential component: labels, most existing works either treat them as meaningless one-hot vectors or use vanilla embedding methods to learn label representations along with model training, underestimating the semantic information and guidance that these labels reveal. To alleviate this problem and better exploit label information, in this paper, we employ Self-Supervised Learning (SSL) in model learning process and design a novel self-supervised Relation of Relation (R2) classification task for label utilization from a one-hot manner perspective. Then, we propose a novel Relation of Relation Learning Network (R2-Net) for text classification, in which text classification and R2 classification are treated as optimization targets. Meanwhile, triplet loss is employed to enhance the analysis of differences and connections among labels. Moreover, considering that one-hot usage is still short of exploiting label information, we incorporate external knowledge from WordNet to obtain multi-aspect descriptions for label semantic learning and extend R2-Net to a novel Description-Enhanced Label Embedding network (DELE) from a label embedding perspective. ...

Designing molecules with desirable physiochemical properties and functionalities is a long-standing challenge in chemistry, material science, and drug discovery. Recently, machine learning-based generative models have emerged as promising approaches for \emph{de novo} molecule design. However, further refinement of methodology is highly desired as most existing methods lack unified modeling of 2D topology and 3D geometry information and fail to effectively learn the structure-property relationship for molecule design. Here we present MolCode, a roto-translation equivariant generative framework for \underline{Mol}ecular graph-structure \underline{Co-de}sign. In MolCode, 3D geometric information empowers the molecular 2D graph generation, which in turn helps guide the prediction of molecular 3D structure. Extensive experimental results show that MolCode outperforms previous methods on a series of challenging tasks including \emph{de novo} molecule design, targeted molecule discovery, and structure-based drug design. Particularly, MolCode not only consistently generates valid (99.95$\%$ Validity) and diverse (98.75$\%$ Uniqueness) molecular graphs/structures with desirable properties, but also generate drug-like molecules with high affinity to target proteins (61.8$\%$ high-affinity ratio), which demonstrates MolCode's potential applications in material design and drug discovery. Our extensive investigation reveals that the 2D topology and 3D geometry contain intrinsically complementary information in molecule design, and provide new insights into machine learning-based molecule representation and generation.

Knowledge tracing (KT) aims to assess individuals' evolving knowledge states according to their learning interactions with different exercises in online learning systems (OIS), which is critical in supporting decision-making for subsequent intelligent services, such as personalized learning source recommendation. Existing researchers have broadly studied KT and developed many effective methods. However, most of them assume that students' historical interactions are uniformly distributed in a continuous sequence, ignoring the fact that actual interaction sequences are organized based on a series of quizzes with clear boundaries, where interactions within a quiz are consecutively completed, but interactions across different quizzes are discrete and may be spaced over days. In this paper, we present the Quiz-based Knowledge Tracing (QKT) model to monitor students' knowledge states according to their quiz-based learning interactions. Specifically, as students' interactions within a quiz are continuous and have the same or similar knowledge concepts, we design the adjacent gate followed by a global average pooling layer to capture the intra-quiz short-term knowledge influence. Then, as various quizzes tend to focus on different knowledge concepts, we respectively measure the inter-quiz knowledge substitution by the gated recurrent unit and the inter-quiz knowledge complementarity by the self-attentive encoder with a novel recency-aware attention mechanism. Finally, we integrate the inter-quiz long-term knowledge substitution and complementarity across different quizzes to output students' evolving knowledge states. Extensive experimental results on three public real-world datasets demonstrate that QKT achieves state-of-the-art performance compared to existing methods. Further analyses confirm that QKT is promising in designing more effective quizzes.

Deep recommender systems (DRS) are intensively applied in modern web services. To deal with the massive web contents, DRS employs a two-stage workflow: retrieval and ranking, to generate its recommendation results. The retriever aims to select a small set of relevant candidates from the entire items with high efficiency; while the ranker, usually more precise but time-consuming, is supposed to further refine the best items from the retrieved candidates. Traditionally, the two components are trained either independently or within a simple cascading pipeline, which is prone to poor collaboration effect. Though some latest works suggested to train retriever and ranker jointly, there still exist many severe limitations: item distribution shift between training and inference, false negative, and misalignment of ranking order. As such, it remains to explore effective collaborations between retriever and ranker.

Abstract--Enhancing the expressive capacity of deep learning-based time series models with self-supervised pre-training has become ever-increasingly prevalent in time series classification. Even though numerous efforts have been devoted to developing self-supervised models for time series data, we argue that the current methods are not sufficient to learn optimal time series representations due to solely unidirectional encoding over sparse point-wise input units. In this work, we propose TimeMAE, a novel self-supervised paradigm for learning transferrable time series representations based on transformer networks. The distinct characteristics of the TimeMAE lie in processing each time series into a sequence of non-overlapping sub-series via window-slicing partitioning, followed by random masking strategies over the semantic units of localized sub-series. Such a simple yet effective setting can help us achieve the goal of killing three birds with one stone, i.e., (1) learning enriched contextual representations of time series with a bidirectional encoding scheme; (2) increasing the information density of basic semantic units; (3) efficiently encoding representations of time series using transformer networks. Nevertheless, it is a non-trivial to perform reconstructing task over such a novel formulated modeling paradigm. To solve the discrepancy issue incurred by newly injected masked embeddings, we design a decoupled autoencoder architecture, which learns the representations of visible (unmasked) positions and masked ones with two different encoder modules, respectively. Furthermore, we construct two types of informative targets to accomplish the corresponding pretext tasks. One is to create a tokenizer module that assigns a codeword to each masked region, allowing the masked codeword classification (MCC) task to be completed effectively. Another one is to adopt a siamese network structure to generate target representations for each masked input unit, aiming at performing the masked representation regression (MRR) optimization.

Sequential Recommendation is a widely studied paradigm for learning users' dynamic interests from historical interactions for predicting the next potential item. Although lots of research work has achieved remarkable progress, they are still plagued by the common issues: data sparsity of limited supervised signals and data noise of accidentally clicking. To this end, several works have attempted to address these issues, which ignored the complex association of items across several sequences. Along this line, with the aim of learning representative item embedding to alleviate this dilemma, we propose GUESR, from the view of graph contrastive learning. Specifically, we first construct the Global Item Relationship Graph (GIRG) from all interaction sequences and present the Bucket-Cluster Sampling (BCS) method to conduct the sub-graphs. Then, graph contrastive learning on this reduced graph is developed to enhance item representations with complex associations from the global view. We subsequently extend the CapsNet module with the elaborately introduced target-attention mechanism to derive users' dynamic preferences. Extensive experimental results have demonstrated our proposed GUESR could not only achieve significant improvements but also could be regarded as a general enhancement strategy to improve the performance in combination with other sequential recommendation methods.

To protect user privacy and meet legal regulations, federated learning (FL) is attracting significant attention. Training neural machine translation (NMT) models with traditional FL algorithms (e.g., FedAvg) typically relies on multi-round model-based interactions. However, it is impractical and inefficient for translation tasks due to the vast communication overheads and heavy synchronization. In this paper, we propose a novel Federated Nearest Neighbor (FedNN) machine translation framework that, instead of multi-round model-based interactions, leverages one-round memorization-based interaction to share knowledge across different clients and build low-overhead privacy-preserving systems. The whole approach equips the public NMT model trained on large-scale accessible data with a k-nearestneighbor (kNN) classifier and integrates the external datastore constructed by private text data from all clients to form the final FL model. A two-phase datastore encryption strategy is introduced to achieve privacy-preserving during this process. Extensive experiments show that FedNN significantly reduces computational and communication costs compared with FedAvg, while maintaining promising translation performance in different FL settings. In recent years, neural machine translation (NMT) has significantly improved translation quality (Bahdanau et al., 2015; Vaswani et al., 2017; Hassan et al., 2018) and has been widely adopted in many commercial systems. The current mainstream system is first built on a large-scale corpus collected by the service provider and then directly applied to translation tasks for different users and enterprises. However, this application paradigm faces two critical challenges in practice.

Deep learning-based algorithms, e.g., convolutional networks, have significantly facilitated multivariate time series classification (MTSC) task. Nevertheless, they suffer from the limitation in modeling long-range dependence due to the nature of convolution operations. Recent advancements have shown the potential of transformers to capture long-range dependence. However, it would incur severe issues, such as fixed scale representations, temporal-invariant and quadratic time complexity, with transformers directly applicable to the MTSC task because of the distinct properties of time series data. To tackle these issues, we propose FormerTime, an hierarchical representation model for improving the classification capacity for the MTSC task. In the proposed FormerTime, we employ a hierarchical network architecture to perform multi-scale feature maps. Besides, a novel transformer encoder is further designed, in which an efficient temporal reduction attention layer and a well-informed contextual positional encoding generating strategy are developed. To sum up, FormerTime exhibits three aspects of merits: (1) learning hierarchical multi-scale representations from time series data, (2) inheriting the strength of both transformers and convolutional networks, and (3) tacking the efficiency challenges incurred by the self-attention mechanism. Extensive experiments performed on $10$ publicly available datasets from UEA archive verify the superiorities of the FormerTime compared to previous competitive baselines.