Multi-task learning has attracted much attention due to growing multi-purpose research with multiple related data sources. Moreover, transduction with matrix completion is a useful method in multi-label learning. In this paper, we propose a transductive matrix completion algorithm that incorporates a calibration constraint for the features under the multi-task learning framework. The proposed algorithm recovers the incomplete feature matrix and target matrix simultaneously. Fortunately, the calibration information improves the completion results. In particular, we provide a statistical guarantee for the proposed algorithm, and the theoretical improvement induced by calibration information is also studied. Moreover, the proposed algorithm enjoys a sub-linear convergence rate. Several synthetic data experiments are conducted, which show the proposed algorithm out-performs other existing methods, especially when the target matrix is associated with the feature matrix in a nonlinear way.
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Temporal relation prediction in incomplete temporal knowledge graphs (TKGs) is a popular temporal knowledge graph completion (TKGC) problem in both transductive and inductive settings. Traditional embedding-based TKGC models (TKGE) rely on structured connections and can only handle a fixed set of entities, i.e., the transductive setting. In the inductive setting where test TKGs contain emerging entities, the latest methods are based on symbolic rules or pre-trained language models (PLMs). However, they suffer from being inflexible and not time-specific, respectively. In this work, we extend the fully-inductive setting, where entities in the training and test sets are totally disjoint, into TKGs and take a further step towards a more flexible and time-sensitive temporal relation prediction approach SST-BERT, incorporating Structured Sentences with Time-enhanced BERT. Our model can obtain the entity history and implicitly learn rules in the semantic space by encoding structured sentences, solving the problem of inflexibility. We propose to use a time masking MLM task to pre-train BERT in a corpus rich in temporal tokens specially generated for TKGs, enhancing the time sensitivity of SST-BERT. To compute the probability of occurrence of a target quadruple, we aggregate all its structured sentences from both temporal and semantic perspectives into a score. Experiments on the transductive datasets and newly generated fully-inductive benchmarks show that SST-BERT successfully improves over state-of-the-art baselines.
We develop scalable randomized kernel methods for jointly associating data from multiple sources and simultaneously predicting an outcome or classifying a unit into one of two or more classes. The proposed methods model nonlinear relationships in multiview data together with predicting a clinical outcome and are capable of identifying variables or groups of variables that best contribute to the relationships among the views. We use the idea that random Fourier bases can approximate shift-invariant kernel functions to construct nonlinear mappings of each view and we use these mappings and the outcome variable to learn view-independent low-dimensional representations. Through simulation studies, we show that the proposed methods outperform several other linear and nonlinear methods for multiview data integration. When the proposed methods were applied to gene expression, metabolomics, proteomics, and lipidomics data pertaining to COVID-19, we identified several molecular signatures forCOVID-19 status and severity. Results from our real data application and simulations with small sample sizes suggest that the proposed methods may be useful for small sample size problems. Availability: Our algorithms are implemented in Pytorch and interfaced in R and would be made available at: //github.com/lasandrall/RandMVLearn.
Recently many efforts have been devoted to applying graph neural networks (GNNs) to molecular property prediction which is a fundamental task for computational drug and material discovery. One of major obstacles to hinder the successful prediction of molecule property by GNNs is the scarcity of labeled data. Though graph contrastive learning (GCL) methods have achieved extraordinary performance with insufficient labeled data, most focused on designing data augmentation schemes for general graphs. However, the fundamental property of a molecule could be altered with the augmentation method (like random perturbation) on molecular graphs. Whereas, the critical geometric information of molecules remains rarely explored under the current GNN and GCL architectures. To this end, we propose a novel graph contrastive learning method utilizing the geometry of the molecule across 2D and 3D views, which is named GeomGCL. Specifically, we first devise a dual-view geometric message passing network (GeomMPNN) to adaptively leverage the rich information of both 2D and 3D graphs of a molecule. The incorporation of geometric properties at different levels can greatly facilitate the molecular representation learning. Then a novel geometric graph contrastive scheme is designed to make both geometric views collaboratively supervise each other to improve the generalization ability of GeomMPNN. We evaluate GeomGCL on various downstream property prediction tasks via a finetune process. Experimental results on seven real-life molecular datasets demonstrate the effectiveness of our proposed GeomGCL against state-of-the-art baselines.
Aiming at expanding few-shot relations' coverage in knowledge graphs (KGs), few-shot knowledge graph completion (FKGC) has recently gained more research interests. Some existing models employ a few-shot relation's multi-hop neighbor information to enhance its semantic representation. However, noise neighbor information might be amplified when the neighborhood is excessively sparse and no neighbor is available to represent the few-shot relation. Moreover, modeling and inferring complex relations of one-to-many (1-N), many-to-one (N-1), and many-to-many (N-N) by previous knowledge graph completion approaches requires high model complexity and a large amount of training instances. Thus, inferring complex relations in the few-shot scenario is difficult for FKGC models due to limited training instances. In this paper, we propose a few-shot relational learning with global-local framework to address the above issues. At the global stage, a novel gated and attentive neighbor aggregator is built for accurately integrating the semantics of a few-shot relation's neighborhood, which helps filtering the noise neighbors even if a KG contains extremely sparse neighborhoods. For the local stage, a meta-learning based TransH (MTransH) method is designed to model complex relations and train our model in a few-shot learning fashion. Extensive experiments show that our model outperforms the state-of-the-art FKGC approaches on the frequently-used benchmark datasets NELL-One and Wiki-One. Compared with the strong baseline model MetaR, our model achieves 5-shot FKGC performance improvements of 8.0% on NELL-One and 2.8% on Wiki-One by the metric Hits@10.
Graph Neural Networks (GNNs) have proven to be useful for many different practical applications. However, many existing GNN models have implicitly assumed homophily among the nodes connected in the graph, and therefore have largely overlooked the important setting of heterophily, where most connected nodes are from different classes. In this work, we propose a novel framework called CPGNN that generalizes GNNs for graphs with either homophily or heterophily. The proposed framework incorporates an interpretable compatibility matrix for modeling the heterophily or homophily level in the graph, which can be learned in an end-to-end fashion, enabling it to go beyond the assumption of strong homophily. Theoretically, we show that replacing the compatibility matrix in our framework with the identity (which represents pure homophily) reduces to GCN. Our extensive experiments demonstrate the effectiveness of our approach in more realistic and challenging experimental settings with significantly less training data compared to previous works: CPGNN variants achieve state-of-the-art results in heterophily settings with or without contextual node features, while maintaining comparable performance in homophily settings.
Few-shot Knowledge Graph (KG) completion is a focus of current research, where each task aims at querying unseen facts of a relation given its few-shot reference entity pairs. Recent attempts solve this problem by learning static representations of entities and references, ignoring their dynamic properties, i.e., entities may exhibit diverse roles within task relations, and references may make different contributions to queries. This work proposes an adaptive attentional network for few-shot KG completion by learning adaptive entity and reference representations. Specifically, entities are modeled by an adaptive neighbor encoder to discern their task-oriented roles, while references are modeled by an adaptive query-aware aggregator to differentiate their contributions. Through the attention mechanism, both entities and references can capture their fine-grained semantic meanings, and thus render more expressive representations. This will be more predictive for knowledge acquisition in the few-shot scenario. Evaluation in link prediction on two public datasets shows that our approach achieves new state-of-the-art results with different few-shot sizes.
Knowledge graph completion aims to predict missing relations between entities in a knowledge graph. While many different methods have been proposed, there is a lack of a unifying framework that would lead to state-of-the-art results. Here we develop PathCon, a knowledge graph completion method that harnesses four novel insights to outperform existing methods. PathCon predicts relations between a pair of entities by: (1) Considering the Relational Context of each entity by capturing the relation types adjacent to the entity and modeled through a novel edge-based message passing scheme; (2) Considering the Relational Paths capturing all paths between the two entities; And, (3) adaptively integrating the Relational Context and Relational Path through a learnable attention mechanism. Importantly, (4) in contrast to conventional node-based representations, PathCon represents context and path only using the relation types, which makes it applicable in an inductive setting. Experimental results on knowledge graph benchmarks as well as our newly proposed dataset show that PathCon outperforms state-of-the-art knowledge graph completion methods by a large margin. Finally, PathCon is able to provide interpretable explanations by identifying relations that provide the context and paths that are important for a given predicted relation.
Many tasks in natural language processing can be viewed as multi-label classification problems. However, most of the existing models are trained with the standard cross-entropy loss function and use a fixed prediction policy (e.g., a threshold of 0.5) for all the labels, which completely ignores the complexity and dependencies among different labels. In this paper, we propose a meta-learning method to capture these complex label dependencies. More specifically, our method utilizes a meta-learner to jointly learn the training policies and prediction policies for different labels. The training policies are then used to train the classifier with the cross-entropy loss function, and the prediction policies are further implemented for prediction. Experimental results on fine-grained entity typing and text classification demonstrate that our proposed method can obtain more accurate multi-label classification results.
Collaborative filtering often suffers from sparsity and cold start problems in real recommendation scenarios, therefore, researchers and engineers usually use side information to address the issues and improve the performance of recommender systems. In this paper, we consider knowledge graphs as the source of side information. We propose MKR, a Multi-task feature learning approach for Knowledge graph enhanced Recommendation. MKR is a deep end-to-end framework that utilizes knowledge graph embedding task to assist recommendation task. The two tasks are associated by cross&compress units, which automatically share latent features and learn high-order interactions between items in recommender systems and entities in the knowledge graph. We prove that cross&compress units have sufficient capability of polynomial approximation, and show that MKR is a generalized framework over several representative methods of recommender systems and multi-task learning. Through extensive experiments on real-world datasets, we demonstrate that MKR achieves substantial gains in movie, book, music, and news recommendation, over state-of-the-art baselines. MKR is also shown to be able to maintain a decent performance even if user-item interactions are sparse.
The goal of few-shot learning is to learn a classifier that generalizes well even when trained with a limited number of training instances per class. The recently introduced meta-learning approaches tackle this problem by learning a generic classifier across a large number of multiclass classification tasks and generalizing the model to a new task. Yet, even with such meta-learning, the low-data problem in the novel classification task still remains. In this paper, we propose Transductive Propagation Network (TPN), a novel meta-learning framework for transductive inference that classifies the entire test set at once to alleviate the low-data problem. Specifically, we propose to learn to propagate labels from labeled instances to unlabeled test instances, by learning a graph construction module that exploits the manifold structure in the data. TPN jointly learns both the parameters of feature embedding and the graph construction in an end-to-end manner. We validate TPN on multiple benchmark datasets, on which it largely outperforms existing few-shot learning approaches and achieves the state-of-the-art results.
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