Zhiqiang Hu

Chenbin Zhang, Zhiqiang Hu, Chuchu Jiang et al.

Drug-target binding affinity prediction is a fundamental task for drug discovery. It has been extensively explored in literature and promising results are reported. However, in this paper, we demonstrate that the results may be misleading and cannot be well generalized to real practice. The core observation is that the canonical randomized split of a test set in conventional evaluation leaves the test set dominated by samples with high similarity to the training set. The performance of models is severely degraded on samples with lower similarity to the training set but the drawback is highly overlooked in current evaluation. As a result, the performance can hardly be trusted when the model meets low-similarity samples in real practice. To address this problem, we propose a framework of similarity aware evaluation in which a novel split methodology is proposed to adapt to any desired distribution. This is achieved by a formulation of optimization problems which are approximately and efficiently solved by gradient descent. We perform extensive experiments across five representative methods in four datasets for two typical target evaluations and compare them with various counterpart methods. Results demonstrate that the proposed split methodology can significantly better fit desired distributions and guide the development of models. Code is released at https://github.com/Amshoreline/SAE/tree/main.

Zhaofeng Hu, Sifan Zhou, Zhihang Yuan et al.

3D single object tracking is essential in autonomous driving and robotics. Existing methods often struggle with sparse and incomplete point cloud scenarios. To address these limitations, we propose a Multimodal-guided Virtual Cues Projection (MVCP) scheme that generates virtual cues to enrich sparse point clouds. Additionally, we introduce an enhanced tracker MVCTrack based on the generated virtual cues. Specifically, the MVCP scheme seamlessly integrates RGB sensors into LiDAR-based systems, leveraging a set of 2D detections to create dense 3D virtual cues that significantly improve the sparsity of point clouds. These virtual cues can naturally integrate with existing LiDAR-based 3D trackers, yielding substantial performance gains. Extensive experiments demonstrate that our method achieves competitive performance on the NuScenes dataset.

Zhaofeng Hu, Hongrui Yu, Vaidhyanathan Chandramouli et al.

This study evaluates two leading approaches for teaching construction robots new skills to understand their applicability for construction automation: a Vision-Language-Action (VLA) model and Reinforcement Learning (RL) methods. The goal is to understand both task performance and the practical effort needed to deploy each approach on real jobs. The authors developed two teleoperation interfaces to control the robots and collect the demonstrations needed, both of which proved effective for training robots for long-horizon and dexterous tasks. In addition, the authors conduct a three-stage evaluation. First, the authors compare a Multi-Layer Perceptron (MLP) policy with a Deep Q-network (DQN) imitation model to identify the stronger RL baseline, focusing on model performance, generalization, and a pick-up experiment. Second, three different VLA models are trained in two different scenarios and compared with each other. Third, the authors benchmark the selected RL baseline against the VLA model using computational and sample-efficiency measures and then a robot experiment on a multi-stage panel installation task that includes transport and installation. The VLA model demonstrates strong generalization and few-shot capability, achieving 60% and 100% success in the pickup phase. In comparison, DQN can be made robust but needs additional noise during tuning, which increases the workload. Overall, the findings indicate that VLA offers practical advantages for changing tasks by reducing programming effort and enabling useful performance with minimal data, while DQN provides a viable baseline when sufficient tuning effort is acceptable.

Guofeng Lv, Zhiqiang Hu, Yanguang Bi et al.

The study of multi-type Protein-Protein Interaction (PPI) is fundamental for understanding biological processes from a systematic perspective and revealing disease mechanisms. Existing methods suffer from significant performance degradation when tested in unseen dataset. In this paper, we investigate the problem and find that it is mainly attributed to the poor performance for inter-novel-protein interaction prediction. However, current evaluations overlook the inter-novel-protein interactions, and thus fail to give an instructive assessment. As a result, we propose to address the problem from both the evaluation and the methodology. Firstly, we design a new evaluation framework that fully respects the inter-novel-protein interactions and gives consistent assessment across datasets. Secondly, we argue that correlations between proteins must provide useful information for analysis of novel proteins, and based on this, we propose a graph neural network based method (GNN-PPI) for better inter-novel-protein interaction prediction. Experimental results on real-world datasets of different scales demonstrate that GNN-PPI significantly outperforms state-of-the-art PPI prediction methods, especially for the inter-novel-protein interaction prediction.

Jia Ding, Aoxue Li, Zhiqiang Hu et al.

Early detection of pulmonary cancer is the most promising way to enhance a patient's chance for survival. Accurate pulmonary nodule detection in computed tomography (CT) images is a crucial step in diagnosing pulmonary cancer. In this paper, inspired by the successful use of deep convolutional neural networks (DCNNs) in natural image recognition, we propose a novel pulmonary nodule detection approach based on DCNNs. We first introduce a deconvolutional structure to Faster Region-based Convolutional Neural Network (Faster R-CNN) for candidate detection on axial slices. Then, a three-dimensional DCNN is presented for the subsequent false positive reduction. Experimental results of the LUng Nodule Analysis 2016 (LUNA16) Challenge demonstrate the superior detection performance of the proposed approach on nodule detection(average FROC-score of 0.891, ranking the 1st place over all submitted results).