Lin Huang

Weisheng Li, Lin Huang

We analyzed the network structure of real-time object detection models and found that the features in the feature concatenation stage are very rich. Applying an attention module here can effectively improve the detection accuracy of the model. However, the commonly used attention module or self-attention module shows poor performance in detection accuracy and inference efficiency. Therefore, we propose a novel self-attention module, called 2D local feature superimposed self-attention, for the feature concatenation stage of the neck network. This self-attention module reflects global features through local features and local receptive fields. We also propose and optimize an efficient decoupled head and AB-OTA, and achieve SOTA results. Average precisions of 49.0% (71FPS, 14ms), 46.1% (85FPS, 11.7ms), and 39.1% (107FPS, 9.3ms) were obtained for large, medium, and small-scale models built using our proposed improvements. Our models exceeded YOLOv5 by 0.8% -- 3.1% in average precision.

Lin Huang, Weisheng Li, Yujuan Tan et al.

In this study, the structural problems of the YOLOv5 model were analyzed emphatically. Based on the characteristics of fine defects in artificial leather, four innovative structures, namely DFP, IFF, AMP, and EOS, were designed. These advancements led to the proposal of a high-performance artificial leather fine defect detection model named YOLOD. YOLOD demonstrated outstanding performance on the artificial leather defect dataset, achieving an impressive increase of 11.7% - 13.5% in AP_50 compared to YOLOv5, along with a significant reduction of 5.2% - 7.2% in the error detection rate. Moreover, YOLOD also exhibited remarkable performance on the general MS-COCO dataset, with an increase of 0.4% - 2.6% in AP compared to YOLOv5, and a rise of 2.5% - 4.1% in AP_S compared to YOLOv5. These results demonstrate the superiority of YOLOD in both artificial leather defect detection and general object detection tasks, making it a highly efficient and effective model for real-world applications.

Erpai Luo, Xinran Wei, Lin Huang et al.

Hamiltonian matrix prediction is pivotal in computational chemistry, serving as the foundation for determining a wide range of molecular properties. While SE(3) equivariant graph neural networks have achieved remarkable success in this domain, their substantial computational cost--driven by high-order tensor product (TP) operations--restricts their scalability to large molecular systems with extensive basis sets. To address this challenge, we introduce SPHNet, an efficient and scalable equivariant network, that incorporates adaptive SParsity into Hamiltonian prediction. SPHNet employs two innovative sparse gates to selectively constrain non-critical interaction combinations, significantly reducing tensor product computations while maintaining accuracy. To optimize the sparse representation, we develop a Three-phase Sparsity Scheduler, ensuring stable convergence and achieving high performance at sparsity rates of up to 70%. Extensive evaluations on QH9 and PubchemQH datasets demonstrate that SPHNet achieves state-of-the-art accuracy while providing up to a 7x speedup over existing models. Beyond Hamiltonian prediction, the proposed sparsification techniques also hold significant potential for improving the efficiency and scalability of other SE(3) equivariant networks, further broadening their applicability and impact. Our code can be found at https://github.com/microsoft/SPHNet.

Yunyang Li, Zaishuo Xia, Lin Huang et al.

Density Functional Theory (DFT) is a pivotal method within quantum chemistry and materials science, with its core involving the construction and solution of the Kohn-Sham Hamiltonian. Despite its importance, the application of DFT is frequently limited by the substantial computational resources required to construct the Kohn-Sham Hamiltonian. In response to these limitations, current research has employed deep-learning models to efficiently predict molecular and solid Hamiltonians, with roto-translational symmetries encoded in their neural networks. However, the scalability of prior models may be problematic when applied to large molecules, resulting in non-physical predictions of ground-state properties. In this study, we generate a substantially larger training set (PubChemQH) than used previously and use it to create a scalable model for DFT calculations with physical accuracy. For our model, we introduce a loss function derived from physical principles, which we call Wavefunction Alignment Loss (WALoss). WALoss involves performing a basis change on the predicted Hamiltonian to align it with the observed one; thus, the resulting differences can serve as a surrogate for orbital energy differences, allowing models to make better predictions for molecular orbitals and total energies than previously possible. WALoss also substantially accelerates self-consistent-field (SCF) DFT calculations. Here, we show it achieves a reduction in total energy prediction error by a factor of 1347 and an SCF calculation speed-up by a factor of 18%. These substantial improvements set new benchmarks for achieving accurate and applicable predictions in larger molecular systems.

Lin Huang, Lijun Wu, Jia Zhang et al.

Time series forecasting plays a key role in a variety of domains. In a lot of real-world scenarios, there exist multiple forecasting entities (e.g. power station in the solar system, stations in the traffic system). A straightforward forecasting solution is to mine the temporal dependency for each individual entity through 1d-CNN, RNN, transformer, etc. This approach overlooks the relations between these entities and, in consequence, loses the opportunity to improve performance using spatial-temporal relation. However, in many real-world scenarios, beside explicit relation, there could exist crucial yet implicit relation between entities. How to discover the useful implicit relation between entities and effectively utilize the relations for each entity under various circumstances is crucial. In order to mine the implicit relation between entities as much as possible and dynamically utilize the relation to improve the forecasting performance, we propose an attentional multi-graph neural network with automatic graph learning (A2GNN) in this work. Particularly, a Gumbel-softmax based auto graph learner is designed to automatically capture the implicit relation among forecasting entities. We further propose an attentional relation learner that enables every entity to dynamically pay attention to its preferred relations. Extensive experiments are conducted on five real-world datasets from three different domains. The results demonstrate the effectiveness of A2GNN beyond several state-of-the-art methods.

Lin Huang, Qiyuan Dong, Lijun Wu et al.

As a specific semantic segmentation task, aerial imagery segmentation has been widely employed in high spatial resolution (HSR) remote sensing images understanding. Besides common issues (e.g. large scale variation) faced by general semantic segmentation tasks, aerial imagery segmentation has some unique challenges, the most critical one among which lies in foreground-background imbalance. There have been some recent efforts that attempt to address this issue by proposing sophisticated neural network architectures, since they can be used to extract informative multi-scale feature representations and increase the discrimination of object boundaries. Nevertheless, many of them merely utilize those multi-scale representations in ad-hoc measures but disregard the fact that the semantic meaning of objects with various sizes could be better identified via receptive fields of diverse ranges. In this paper, we propose Adaptive Focus Framework (AF$_2$), which adopts a hierarchical segmentation procedure and focuses on adaptively utilizing multi-scale representations generated by widely adopted neural network architectures. Particularly, a learnable module, called Adaptive Confidence Mechanism (ACM), is proposed to determine which scale of representation should be used for the segmentation of different objects. Comprehensive experiments show that AF$_2$ has significantly improved the accuracy on three widely used aerial benchmarks, as fast as the mainstream method.