arXiv subjects

Nan Qiao

Publications and source records attributed to Nan Qiao.

22 records · Page 2Linked to original sources

arXiv2023

Q-Drug: a Framework to bring Drug Design into Quantum Space using Deep Learning

Optimizing the properties of molecules (materials or drugs) for stronger toughness, lower toxicity, or better bioavailability has been a long-standing challenge. In this context, we propose a molecular optimization framework called Q-Drug (Quantum-inspired optimization algorithm for Drugs) that leverages quantum-inspired algorithms to optimize molecules on discrete binary domain variables. The framework begins by encoding the molecules into binary embeddings using a discrete VAE. The binary embeddings are then used to construct an Ising energy-like objective function, over which the state-of-the-art quantum-inspired optimization algorithm is adopted to find the optima. The binary embeddings corresponding to the optima are decoded to obtain the optimized molecules. We have tested the framework for optimizing drug molecule properties and have found that it outperforms other molecular optimization methods, finding molecules with better properties in 1/20th to 1/10th of the time previously required. The framework can also be deployed directly on various quantum computing equipment, such as laser pulses CIMs, FPGA Ising Machines, and quantum computers based on quantum annealing, among others. Our work demonstrates a new paradigm that leverages the advantages of quantum computing and AI to solve practically useful problems.

quant-ph↗

arXiv2023

Optimal subsampling for the Cox proportional hazards model with massive survival data

The use of massive survival data has become common in survival analysis. In this study, a subsampling algorithm is proposed for the Cox proportional hazards model with time-dependent covariates when the sample is extraordinarily large but computing resources are relatively limited. A subsample estimator is developed by maximizing the weighted partial likelihood; it is shown to have consistency and asymptotic normality. By minimizing the asymptotic mean squared error of the subsample estimator, the optimal subsampling probabilities are formulated with explicit expressions. Simulation studies show that the proposed method can satisfactorily approximate the estimator of the full dataset. The proposed method is then applied to corporate loan and breast cancer datasets, with different censoring rates, and the outcomes confirm its practical advantages.

stat.CO↗

arXiv2023

CameraPose: Weakly-Supervised Monocular 3D Human Pose Estimation by Leveraging In-the-wild 2D Annotations

To improve the generalization of 3D human pose estimators, many existing deep learning based models focus on adding different augmentations to training poses. However, data augmentation techniques are limited to the "seen" pose combinations and hard to infer poses with rare "unseen" joint positions. To address this problem, we present CameraPose, a weakly-supervised framework for 3D human pose estimation from a single image, which can not only be applied on 2D-3D pose pairs but also on 2D alone annotations. By adding a camera parameter branch, any in-the-wild 2D annotations can be fed into our pipeline to boost the training diversity and the 3D poses can be implicitly learned by reprojecting back to 2D. Moreover, CameraPose introduces a refinement network module with confidence-guided loss to further improve the quality of noisy 2D keypoints extracted by 2D pose estimators. Experimental results demonstrate that the CameraPose brings in clear improvements on cross-scenario datasets. Notably, it outperforms the baseline method by 3mm on the most challenging dataset 3DPW. In addition, by combining our proposed refinement network module with existing 3D pose estimators, their performance can be improved in cross-scenario evaluation.

cs.CV↗

arXiv2021

TODG: Distributed Task Offloading with Delay Guarantees for Edge Computing

Edge computing has been an efficient way to provide prompt and near-data computing services for resource-and-delay sensitive IoT applications via computation offloading. Effective computation offloading strategies need to comprehensively cope with several major issues, including the allocation of dynamic communication and computational resources, the deadline constraints of heterogeneous tasks, and the requirements for computationally inexpensive and distributed algorithms. However, most of the existing works mainly focus on part of these issues, which would not suffice to achieve expected performance in complex and practical scenarios. To tackle this challenge, in this paper, we systematically study a distributed computation offloading problem with hard delay constraints, where heterogeneous computational tasks require continually offloading to a set of edge servers via a limiting number of stochastic communication channels. The task offloading problem is then cast as a delay-constrained long-term stochastic optimization problem under unknown priori statistical knowledge. To resolve this problem, we first provide a technical path to transform and decompose it into several slot-level subproblems, then we develop a distributed online algorithm, namely TODG, to efficiently allocate the resources and schedule the offloading tasks with delay guarantees. Further, we present a comprehensive analysis for TODG, in terms of the optimality gap, the delay guarantees, and the impact of system parameters. Extensive simulation results demonstrate the effectiveness and efficiency of TODG.

cs.NI↗