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The task of entity alignment between knowledge graphs (KGs) aims to identify every pair of entities from two different KGs that represent the same entity. Many machine learning-based methods have been proposed for this task. However, to our best knowledge, existing methods all require manually crafted seed alignments, which are expensive to obtain. In this paper, we propose the first fully automatic alignment method named AutoAlign, which does not require any manually crafted seed alignments. Specifically, for predicate embeddings, AutoAlign constructs a predicate-proximity-graph with the help of large language models to automatically capture the similarity between predicates across two KGs. For entity embeddings, AutoAlign first computes the entity embeddings of each KG independently using TransE, and then shifts the two KGs' entity embeddings into the same vector space by computing the similarity between entities based on their attributes. Thus, both predicate alignment and entity alignment can be done without manually crafted seed alignments. AutoAlign is not only fully automatic, but also highly effective. Experiments using real-world KGs show that AutoAlign improves the performance of entity alignment significantly compared to state-of-the-art methods.

Molecular property prediction with deep learning has gained much attention over the past years. Owing to the scarcity of labeled molecules, there has been growing interest in self-supervised learning methods that learn generalizable molecular representations from unlabeled data. Molecules are typically treated as 2D topological graphs in modeling, but it has been discovered that their 3D geometry is of great importance in determining molecular functionalities. In this paper, we propose the Geometry-aware line graph transformer (Galformer) pre-training, a novel self-supervised learning framework that aims to enhance molecular representation learning with 2D and 3D modalities. Specifically, we first design a dual-modality line graph transformer backbone to encode the topological and geometric information of a molecule. The designed backbone incorporates effective structural encodings to capture graph structures from both modalities. Then we devise two complementary pre-training tasks at the inter and intra-modality levels. These tasks provide properly supervised information and extract discriminative 2D and 3D knowledge from unlabeled molecules. Finally, we evaluate Galformer against six state-of-the-art baselines on twelve property prediction benchmarks via downstream fine-tuning. Experimental results show that Galformer consistently outperforms all baselines on both classification and regression tasks, demonstrating its effectiveness.

We present KeyMorph, a deep learning-based image registration framework that relies on automatically detecting corresponding keypoints. State-of-the-art deep learning methods for registration often are not robust to large misalignments, are not interpretable, and do not incorporate the symmetries of the problem. In addition, most models produce only a single prediction at test-time. Our core insight which addresses these shortcomings is that corresponding keypoints between images can be used to obtain the optimal transformation via a differentiable closed-form expression. We use this observation to drive the end-to-end learning of keypoints tailored for the registration task, and without knowledge of ground-truth keypoints. This framework not only leads to substantially more robust registration but also yields better interpretability, since the keypoints reveal which parts of the image are driving the final alignment. Moreover, KeyMorph can be designed to be equivariant under image translations and/or symmetric with respect to the input image ordering. Finally, we show how multiple deformation fields can be computed efficiently and in closed-form at test time corresponding to different transformation variants. We demonstrate the proposed framework in solving 3D affine and spline-based registration of multi-modal brain MRI scans. In particular, we show registration accuracy that surpasses current state-of-the-art methods, especially in the context of large displacements. Our code is available at //github.com/alanqrwang/keymorph.

Knowledge Distillation (KD) is a widely-used technology to inherit information from cumbersome teacher models to compact student models, consequently realizing model compression and acceleration. Compared with image classification, object detection is a more complex task, and designing specific KD methods for object detection is non-trivial. In this work, we elaborately study the behaviour difference between the teacher and student detection models, and obtain two intriguing observations: First, the teacher and student rank their detected candidate boxes quite differently, which results in their precision discrepancy. Second, there is a considerable gap between the feature response differences and prediction differences between teacher and student, indicating that equally imitating all the feature maps of the teacher is the sub-optimal choice for improving the student's accuracy. Based on the two observations, we propose Rank Mimicking (RM) and Prediction-guided Feature Imitation (PFI) for distilling one-stage detectors, respectively. RM takes the rank of candidate boxes from teachers as a new form of knowledge to distill, which consistently outperforms the traditional soft label distillation. PFI attempts to correlate feature differences with prediction differences, making feature imitation directly help to improve the student's accuracy. On MS COCO and PASCAL VOC benchmarks, extensive experiments are conducted on various detectors with different backbones to validate the effectiveness of our method. Specifically, RetinaNet with ResNet50 achieves 40.4% mAP in MS COCO, which is 3.5% higher than its baseline, and also outperforms previous KD methods.

Conventional entity typing approaches are based on independent classification paradigms, which make them difficult to recognize inter-dependent, long-tailed and fine-grained entity types. In this paper, we argue that the implicitly entailed extrinsic and intrinsic dependencies between labels can provide critical knowledge to tackle the above challenges. To this end, we propose \emph{Label Reasoning Network(LRN)}, which sequentially reasons fine-grained entity labels by discovering and exploiting label dependencies knowledge entailed in the data. Specifically, LRN utilizes an auto-regressive network to conduct deductive reasoning and a bipartite attribute graph to conduct inductive reasoning between labels, which can effectively model, learn and reason complex label dependencies in a sequence-to-set, end-to-end manner. Experiments show that LRN achieves the state-of-the-art performance on standard ultra fine-grained entity typing benchmarks, and can also resolve the long tail label problem effectively.

Link prediction on knowledge graphs (KGs) is a key research topic. Previous work mainly focused on binary relations, paying less attention to higher-arity relations although they are ubiquitous in real-world KGs. This paper considers link prediction upon n-ary relational facts and proposes a graph-based approach to this task. The key to our approach is to represent the n-ary structure of a fact as a small heterogeneous graph, and model this graph with edge-biased fully-connected attention. The fully-connected attention captures universal inter-vertex interactions, while with edge-aware attentive biases to particularly encode the graph structure and its heterogeneity. In this fashion, our approach fully models global and local dependencies in each n-ary fact, and hence can more effectively capture associations therein. Extensive evaluation verifies the effectiveness and superiority of our approach. It performs substantially and consistently better than current state-of-the-art across a variety of n-ary relational benchmarks. Our code is publicly available.

With the rise of knowledge graph (KG), question answering over knowledge base (KBQA) has attracted increasing attention in recent years. Despite much research has been conducted on this topic, it is still challenging to apply KBQA technology in industry because business knowledge and real-world questions can be rather complicated. In this paper, we present AliMe-KBQA, a bold attempt to apply KBQA in the E-commerce customer service field. To handle real knowledge and questions, we extend the classic "subject-predicate-object (SPO)" structure with property hierarchy, key-value structure and compound value type (CVT), and enhance traditional KBQA with constraints recognition and reasoning ability. We launch AliMe-KBQA in the Marketing Promotion scenario for merchants during the "Double 11" period in 2018 and other such promotional events afterwards. Online results suggest that AliMe-KBQA is not only able to gain better resolution and improve customer satisfaction, but also becomes the preferred knowledge management method by business knowledge staffs since it offers a more convenient and efficient management experience.

Most deep learning-based models for speech enhancement have mainly focused on estimating the magnitude of spectrogram while reusing the phase from noisy speech for reconstruction. This is due to the difficulty of estimating the phase of clean speech. To improve speech enhancement performance, we tackle the phase estimation problem in three ways. First, we propose Deep Complex U-Net, an advanced U-Net structured model incorporating well-defined complex-valued building blocks to deal with complex-valued spectrograms. Second, we propose a polar coordinate-wise complex-valued masking method to reflect the distribution of complex ideal ratio masks. Third, we define a novel loss function, weighted source-to-distortion ratio (wSDR) loss, which is designed to directly correlate with a quantitative evaluation measure. Our model was evaluated on a mixture of the Voice Bank corpus and DEMAND database, which has been widely used by many deep learning models for speech enhancement. Ablation experiments were conducted on the mixed dataset showing that all three proposed approaches are empirically valid. Experimental results show that the proposed method achieves state-of-the-art performance in all metrics, outperforming previous approaches by a large margin.

With the rapid growth of knowledge bases (KBs), question answering over knowledge base, a.k.a. KBQA has drawn huge attention in recent years. Most of the existing KBQA methods follow so called encoder-compare framework. They map the question and the KB facts to a common embedding space, in which the similarity between the question vector and the fact vectors can be conveniently computed. This, however, inevitably loses original words interaction information. To preserve more original information, we propose an attentive recurrent neural network with similarity matrix based convolutional neural network (AR-SMCNN) model, which is able to capture comprehensive hierarchical information utilizing the advantages of both RNN and CNN. We use RNN to capture semantic-level correlation by its sequential modeling nature, and use an attention mechanism to keep track of the entities and relations simultaneously. Meanwhile, we use a similarity matrix based CNN with two-directions pooling to extract literal-level words interaction matching utilizing CNNs strength of modeling spatial correlation among data. Moreover, we have developed a new heuristic extension method for entity detection, which significantly decreases the effect of noise. Our method has outperformed the state-of-the-arts on SimpleQuestion benchmark in both accuracy and efficiency.

We study the problem of named entity recognition (NER) from electronic medical records, which is one of the most fundamental and critical problems for medical text mining. Medical records which are written by clinicians from different specialties usually contain quite different terminologies and writing styles. The difference of specialties and the cost of human annotation makes it particularly difficult to train a universal medical NER system. In this paper, we propose a label-aware double transfer learning framework (La-DTL) for cross-specialty NER, so that a medical NER system designed for one specialty could be conveniently applied to another one with minimal annotation efforts. The transferability is guaranteed by two components: (i) we propose label-aware MMD for feature representation transfer, and (ii) we perform parameter transfer with a theoretical upper bound which is also label aware. We conduct extensive experiments on 12 cross-specialty NER tasks. The experimental results demonstrate that La-DTL provides consistent accuracy improvement over strong baselines. Besides, the promising experimental results on non-medical NER scenarios indicate that La-DTL is potential to be seamlessly adapted to a wide range of NER tasks.