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Published work

41 published item(s)

preprint2026arXiv

An efficient solver based on low-rank approximation and Neumann matrix series for unsteady diffusion-type partial differential equations with random coefficients

In this paper, we develop an efficient numerical solver for unsteady diffusion-type partial differential equations with random coefficients. A major computational challenge in such problems lies in repeatedly handling large-scale linear systems arising from spatial and temporal discretizations under uncertainty. To address this issue, we propose a novel generalized low-rank matrix approximation to represent the stochastic stiffness matrices, and approximate their inverses using the Neumann matrix series expansion. This approach transforms high-dimensional matrix inversion into a sequence of low-dimensional matrix multiplications. Therefore, the solver significantly reduces the computational cost and storage requirements while maintaining high numerical accuracy. The error analysis of the proposed solver is also provided. Finally, we apply the method to two classic uncertainty quantification problems: unsteady stochastic diffusion equations and the associated distributed optimal control problems. Numerical results demonstrate the feasibility and effectiveness of the proposed solver.

preprint2026arXiv

Correlated states in charge-transfer heterostructures based on rhombohedral multilayer graphene

Charge transfer is a common phenomenon in van der Waals heterostructures with proper work function mismatch, which enables electrostatic gating to control band alignment and interlayer charge distributions. This provides a tunable platform for studying coupled bilayer correlated electronic systems. Here, we theoretically investigate heterostructures of rhombohedral multilayer graphene (RMG) and an insulating substrate with gate-tunable band alignment. We first develop a self-consistent electrostatic theory for layer charge densities incorporating charge transfer, which reproduces the experimentally observed broadened and bent charge neutrality region. When the substrate's band edge has a much larger effective mass than RMG, its carriers can form a Wigner crystal at low densities. This creates a quantum superlattice that induces topological flat bands in the RMG layer, which may lead to Chern insulators driven by intralayer Coulomb interactions. Conversely, with comparable effective masses, we find an interlayer excitonic insulator state at charge neutrality stabilized by interlayer Coulomb coupling. Our work establishes these charge-transfer heterostructures as a rich platform for topological and excitonic correlated states, opening an avenue for ``charge-transferonics''.

preprint2026arXiv

LIDL: LLM Integration Defect Localization via Knowledge Graph-Enhanced Multi-Agent Analysis

LLM-integrated software, which embeds or interacts with large language models (LLMs) as functional components, exhibits probabilistic and context-dependent behaviors that fundamentally differ from those of traditional software. This shift introduces a new category of integration defects that arise not only from code errors but also from misaligned interactions among LLM-specific artifacts, including prompts, API calls, configurations, and model outputs. However, existing defect localization techniques are ineffective at identifying these LLM-specific integration defects because they fail to capture cross-layer dependencies across heterogeneous artifacts, cannot exploit incomplete or misleading error traces, and lack semantic reasoning capabilities for identifying root causes. To address these challenges, we propose LIDL, a multi-agent framework for defect localization in LLM-integrated software. LIDL (1) constructs a code knowledge graph enriched with LLM-aware annotations that represent interaction boundaries across source code, prompts, and configuration files, (2) fuses three complementary sources of error evidence inferred by LLMs to surface candidate defect locations, and (3) applies context-aware validation that uses counterfactual reasoning to distinguish true root causes from propagated symptoms. We evaluate LIDL on 146 real-world defect instances collected from 105 GitHub repositories and 16 agent-based systems. The results show that LIDL significantly outperforms five state-of-the-art baselines across all metrics, achieving a Top-3 accuracy of 0.64 and a MAP of 0.48, which represents a 64.1% improvement over the best-performing baseline. Notably, LIDL achieves these gains while reducing cost by 92.5%, demonstrating both high accuracy and cost efficiency.

preprint2026arXiv

Network Integrated Sensing and Communication

Integrated sensing and communication (ISAC) is a cornerstone technology for 6G networks, offering unified support for high-rate communication and high-accuracy sensing. While existing literature extensively covers link-level designs, the transition toward large-scale deployment necessitates a fundamental understanding of network-level performance. This paper investigates a network ISAC model where a source node communicates with a destination via a relay network, while intermediate nodes concurrently perform cooperative sensing over specific spatial regions. We formulate a novel optimization framework that captures the interplay between multi-node routing and sensing coverage. For a one-dimensional path network, we provide an analytical characterization of the complete sensing-throughput region. Extending this to general network topologies, we establish that the sensing-throughput Pareto boundary is piecewise linear and provide physical interpretations for each segment. Our results reveal the fundamental trade-offs between sensing coverage and communication routing, offering key insights for the design of future 6G heterogeneous networks.

preprint2026arXiv

PD-4DGS:Progressive Decomposition of 4D Gaussian Splatting for Bandwidth-Adaptive Dynamic Scene Streaming

4D Gaussian Splatting (4DGS) enables high-quality dynamic novel view synthesis, yet current models remain monolithic bitstreams that clients must download in full before any frame can be rendered, causing black-screen waits of tens to hundreds of seconds on mobile bandwidth and leaving 4DGS incompatible with modern adaptive-bitrate delivery. Progressive 3DGS compression alleviates this for static scenes, but it acts only on spatial anchors and cannot partition the temporal deformation networks that dominate dynamic-scene size. We present PD-4DGS, the first framework for progressive compression and on-demand transmission of 4DGS. Hierarchical Deformation Decomposition (HDD) externalises the coarse-to-fine motion hierarchy already latent in 4DGS into three independently transmittable layers -- a static scaffold, a global deformation, and a local refinement -- so that any prefix of the bitstream is already renderable, turning a single training run into a scalable, DASH/HLS-compatible bitstream. A Gaussian-entropy attribute rate-distortion loss together with a temporal mask consistency regulariser shrink the base layer while suppressing low-bitrate flicker; a capacity-weighted rollout schedule, gated online by a learnt activation rate rho, then prevents deformation-network under-training without any per-scene hyperparameter. On the Dycheck iPhone benchmark, PD-4DGS cuts the streamed bitstream by >60% at matched rendering fidelity and reduces first-frame latency from 73--930 s to ~1.7 s on a 2 Mbps link, uniquely enabling true on-demand progressive streaming for 4DGS.

preprint2026arXiv

StellarF: A Physics-Informed LoRA Framework for Stellar Flare Forecasting with Historical & Statistical Data

Stellar flare forecasting represents a critical frontier in astrophysics, offering profound insights into stellar activity mechanisms and exoplanetary habitability assessments. Yet the inherent unpredictability of flare activity, rooted in stellar diversity and evolutionary stages, underpins the field's core challenges: (1) sparse, incomplete, noisy lightcurve data from traditional observations; (2) ineffective multi-scale flare evolution capture via single representations; (3) poor physical interpretability in data-driven models lacking physics-informed priors. To address these challenges, we propose StellarF, a physics-informed framework synergizing general Al with astrophysical domain knowledge via three core components: a unified preprocessing pipeline for lightcurve refinement (missing-value imputation, temporal patch partitioning, adaptive sample filtering); a Low-Rank Adaptation (LoRA)-finetuned large language model (LLM) backbone enhanced by first-order difference augmentation, flare statistical information, and flare historical record modules for multimodal fusion instead of only simple representations; and a novel physics-informed loss embedding a minimum rising rate prior, appended to the cross-entropy loss, to align with flare physics. Extensive experiments on Kepler and TESS datasets show StellarF achieves state-of-the-art performance across key metrics, setting new benchmarks for flare forecasting. This work bridges general AI with astrophysics, offering a practical, physically interpretable paradigm for transient event forecasting in time-domain astronomy.

preprint2025arXiv

Highly Undersampled MRI Reconstruction via a Single Posterior Sampling of Diffusion Models

Incoherent k-space undersampling and deep learning-based reconstruction methods have shown great success in accelerating MRI. However, the performance of most previous methods will degrade dramatically under high acceleration factors, e.g., 8$\times$ or higher. Recently, denoising diffusion models (DM) have demonstrated promising results in solving this issue; however, one major drawback of the DM methods is the long inference time due to a dramatic number of iterative reverse posterior sampling steps. In this work, a Single Step Diffusion Model-based reconstruction framework, namely SSDM-MRI, is proposed for restoring MRI images from highly undersampled k-space. The proposed method achieves one-step reconstruction by first training a conditional DM and then iteratively distilling this model four times using an iterative selective distillation algorithm, which works synergistically with a shortcut reverse sampling strategy for model inference. Comprehensive experiments were carried out on both publicly available fastMRI brain and knee images, as well as an in-house multi-echo GRE (QSM) subject. Overall, the results showed that SSDM-MRI outperformed other methods in terms of numerical metrics (e.g., PSNR and SSIM), error maps, image fine details, and latent susceptibility information hidden in MRI phase images. In addition, the reconstruction time for a 320$\times$320 brain slice of SSDM-MRI is only 0.45 second, which is only comparable to that of a simple U-net, making it a highly effective solution for MRI reconstruction tasks.

preprint2023arXiv

DeepSAT: An EDA-Driven Learning Framework for SAT

We present DeepSAT, a novel end-to-end learning framework for the Boolean satisfiability (SAT) problem. Unlike existing solutions trained on random SAT instances with relatively weak supervision, we propose applying the knowledge of the well-developed electronic design automation (EDA) field for SAT solving. Specifically, we first resort to logic synthesis algorithms to pre-process SAT instances into optimized and-inverter graphs (AIGs). By doing so, the distribution diversity among various SAT instances can be dramatically reduced, which facilitates improving the generalization capability of the learned model. Next, we regard the distribution of SAT solutions being a product of conditional Bernoulli distributions. Based on this observation, we approximate the SAT solving procedure with a conditional generative model, leveraging a novel directed acyclic graph neural network (DAGNN) with two polarity prototypes for conditional SAT modeling. To effectively train the generative model, with the help of logic simulation tools, we obtain the probabilities of nodes in the AIG being logic `1' as rich supervision. We conduct comprehensive experiments on various SAT problems. Our results show that, DeepSAT achieves significant accuracy improvements over state-of-the-art learning-based SAT solutions, especially when generalized to SAT instances that are relatively large or with diverse distributions.

preprint2023arXiv

Imaging of muon track in CsI(Tl) crystal with single photon sensitive camera

As a novel approach on visual photon imaging by a single photon sensitive camera and PMTs, this work is trying to measure and identify muon tracks from the 2-D images of CsI(Tl) crystal (scintillator detectors). It is possible that muon tracks can be seen directly with a good signal-to-noise ratio neither with further amplification nor external light, which provides an evolution method for particle measurement in the photon-starved regime of scintillation detectors. The setup of the crystal and camera testing system and the identification algorithm of muon track will be discussed in detail including the system calibration, identification model, signal-to-noise ratio, muon track confirmation, and an expectation on further improvements and applications.

preprint2023arXiv

Vis2Hap: Vision-based Haptic Rendering by Cross-modal Generation

To assist robots in teleoperation tasks, haptic rendering which allows human operators access a virtual touch feeling has been developed in recent years. Most previous haptic rendering methods strongly rely on data collected by tactile sensors. However, tactile data is not widely available for robots due to their limited reachable space and the restrictions of tactile sensors. To eliminate the need for tactile data, in this paper we propose a novel method named as Vis2Hap to generate haptic rendering from visual inputs that can be obtained from a distance without physical interaction. We take the surface texture of objects as key cues to be conveyed to the human operator. To this end, a generative model is designed to simulate the roughness and slipperiness of the object's surface. To embed haptic cues in Vis2Hap, we use height maps from tactile sensors and spectrograms from friction coefficients as the intermediate outputs of the generative model. Once Vis2Hap is trained, it can be used to generate height maps and spectrograms of new surface textures, from which a friction image can be obtained and displayed on a haptic display. The user study demonstrates that our proposed Vis2Hap method enables users to access a realistic haptic feeling similar to that of physical objects. The proposed vision-based haptic rendering has the potential to enhance human operators' perception of the remote environment and facilitate robotic manipulation.

preprint2022arXiv

A self-contained and self-explanatory DNA storage system

Current research on DNA storage usually focuses on the improvement of storage density by developing effective encoding and decoding schemes while lacking the consideration on the uncertainty in ultra-long-term data storage and retention. Consequently, the current DNA storage systems are often not self-contained, implying that they have to resort to external tools for the restoration of the stored DNA data. This may result in high risks in data loss since the required tools might not be available due to the high uncertainty in far future. To address this issue, we propose in this paper a self-contained DNA storage system that can bring self-explanatory to its stored data without relying on any external tool. To this end, we design a specific DNA file format whereby a separate storage scheme is developed to reduce the data redundancy while an effective indexing is designed for random read operations to the stored data file. We verified through experimental data that the proposed self-contained and self-explanatory method can not only get rid of the reliance on external tools for data restoration but also minimise the data redundancy brought about when the amount of data to be stored reaches a certain scale.

preprint2022arXiv

Afterpulse measurement of JUNO 20-inch PMTs

In this article we present the large photo-multiplier tube (PMT) afterpulse measurement results of Jiangmen Underground Neutrino Observatory (JUNO) experiment. Totally 11 dynode-PMTs (R12860) from Hamamatsu company and 150 micro-channel plate PMTs (MCP-PMTs, GDB-6201) from NNVT company were tested, an afterpulse model is built according to the afterpulse time distribution and probability of occurrence for these two types of PMTs. The average ratio between the total afterpulse charge with the delay between 0.5 $μ$ s and 20 $μ$ s to the primary pulse charge is 5.6%(13.2%) for the tested MCP-PMTs (dynode-PMTs). JUNO experiment will deploy 20,012 20-inch PMTs, and this study will benefit the detector simulation, event reconstruction and data analysis of JUNO experiment.

preprint2022arXiv

Boosting Distributed Training Performance of the Unpadded BERT Model

Pre-training models are an important tool in Natural Language Processing (NLP), while the BERT model is a classic pre-training model whose structure has been widely adopted by followers. It was even chosen as the reference model for the MLPerf training benchmark. The distributed training performance optimization of BERT models plays an important role in accelerating the solutions of most NLP tasks. BERT model often uses padding tensors as its inputs, leading to excessive redundant computations. Thus, removing these redundant computations is essential to improve the distributed training performance. This paper designs a new approach to train BERT models with variable-length inputs efficiently. Firstly, we propose a general structure for the variable-length BERT models, and accelerate the encoder layer via our grouped multi-stream FMHA (Fused Multi-Head Attention) method. Secondly, through data exchange, we address the unbalanced workload problem caused by the variable-length inputs, which overlaps highly with the training process. Finally, we optimize the overall performance of the BERT model, such as kernel fusion, and operator optimization. Our experimental results show that our highly optimized BERT model achieves state-of-the-art throughput and ranks first in MLPerf Training v2.0 within the same GPU configuration. The optimizations in this paper can be applied to more BERT-like models in our future works.

preprint2022arXiv

DeepGate: Learning Neural Representations of Logic Gates

Applying deep learning (DL) techniques in the electronic design automation (EDA) field has become a trending topic. Most solutions apply well-developed DL models to solve specific EDA problems. While demonstrating promising results, they require careful model tuning for every problem. The fundamental question on "How to obtain a general and effective neural representation of circuits?" has not been answered yet. In this work, we take the first step towards solving this problem. We propose DeepGate, a novel representation learning solution that effectively embeds both logic function and structural information of a circuit as vectors on each gate. Specifically, we propose transforming circuits into unified and-inverter graph format for learning and using signal probabilities as the supervision task in DeepGate. We then introduce a novel graph neural network that uses strong inductive biases in practical circuits as learning priors for signal probability prediction. Our experimental results show the efficacy and generalization capability of DeepGate.

preprint2022arXiv

DeepTPI: Test Point Insertion with Deep Reinforcement Learning

Test point insertion (TPI) is a widely used technique for testability enhancement, especially for logic built-in self-test (LBIST) due to its relatively low fault coverage. In this paper, we propose a novel TPI approach based on deep reinforcement learning (DRL), named DeepTPI. Unlike previous learning-based solutions that formulate the TPI task as a supervised-learning problem, we train a novel DRL agent, instantiated as the combination of a graph neural network (GNN) and a Deep Q-Learning network (DQN), to maximize the test coverage improvement. Specifically, we model circuits as directed graphs and design a graph-based value network to estimate the action values for inserting different test points. The policy of the DRL agent is defined as selecting the action with the maximum value. Moreover, we apply the general node embeddings from a pre-trained model to enhance node features, and propose a dedicated testability-aware attention mechanism for the value network. Experimental results on circuits with various scales show that DeepTPI significantly improves test coverage compared to the commercial DFT tool. The code of this work is available at https://github.com/cure-lab/DeepTPI.

preprint2022arXiv

FKreg: A MATLAB toolbox for fast Multivariate Kernel Regression

Kernel smooth is the most fundamental technique for data density and regression estimation. However, time-consuming is the biggest obstacle for the application that the direct evaluation of kernel smooth for $N$ samples needs ${O}\left( {{N}^{2}} \right)$ operations. People have developed fast smooth algorithms using the idea of binning with FFT. Unfortunately, the accuracy is not controllable, and the implementation for multivariable and its bandwidth selection for the fast method is not available. Hence, we introduce a new MATLAB toolbox for fast multivariate kernel regression with the idea of non-uniform FFT (NUFFT), which implemented the algorithm for $M$ gridding points with ${O}\left( N+M\log M \right)$ complexity and accuracy controllability. The bandwidth selection problem utilizes the Fast Monte-Carlo algorithm to estimate the degree of freedom (DF), saving enormous cross-validation time even better when data share the same grid space for multiple regression. Up to now, this is the first toolbox for fast-binning high-dimensional kernel regression. Moreover, the estimation for local polynomial regression, the conditional variance for the heteroscedastic model, and the complex-valued datasets are also implemented in this toolbox. The performance is demonstrated with simulations and an application on the quantitive EEG.

preprint2022arXiv

Hierarchical Graph Convolutional Skeleton Transformer for Action Recognition

Graph convolutional networks (GCNs) have emerged as dominant methods for skeleton-based action recognition. However, they still suffer from two problems, namely, neighborhood constraints and entangled spatiotemporal feature representations. Most studies have focused on improving the design of graph topology to solve the first problem but they have yet to fully explore the latter. In this work, we design a disentangled spatiotemporal transformer (DSTT) block to overcome the above limitations of GCNs in three steps: (i) feature disentanglement for spatiotemporal decomposition;(ii) global spatiotemporal attention for capturing correlations in the global context; and (iii) local information enhancement for utilizing more local information. Thereon, we propose a novel architecture, named Hierarchical Graph Convolutional skeleton Transformer (HGCT), to employ the complementary advantages of GCN (i.e., local topology, temporal dynamics and hierarchy) and Transformer (i.e., global context and dynamic attention). HGCT is lightweight and computationally efficient. Quantitative analysis demonstrates the superiority and good interpretability of HGCT.

preprint2022arXiv

Ill_posedness for a two_component Novikov system in Besov space

In this paper, we consider the Cauchy problem for a two-component Novikov system on the line. By specially constructed initial data $(ρ_0, u_0)$ in $B_{p, \infty}^{s-1}(\mathbb{R})\times B_{p, \infty}^s(\mathbb{R})$ with $s>\max\{2+\frac{1}{p}, \frac{5}{2}\}$ and $1\leq p \leq \infty$, we show that any energy bounded solution starting from $(ρ_0, u_0)$ does not converge back to $(ρ_0, u_0)$ in the metric of $B_{p, \infty}^{s-1}(\mathbb{R})\times B_{p, \infty}^s(\mathbb{R})$ as time goes to zero, thus results in discontinuity of the data-to-solution map and ill-posedness.

preprint2022arXiv

Ill-posedness for the two component Degasperis-Procesi equation in critical Besov space

In this paper, we study the Cauchy problem for the two component Degasperis-Procesi equation in critical Besov space $B^1_{\infty,1}(\mathbb R)$. By presenting a new construction of initial data, we proved the norm inflation of the corresponding solutions in $B^1_{\infty,1}(\mathbb R)$ and hence ill-posedness. This is quite different from the local well-posedness result for the Degasperis-Procesi equation in critical Besov space $B^1_{\infty,1}(\mathbb R)$ due to the coupled structure of density function.

preprint2022arXiv

Imaging of CsI(Tl) crystal event and double-slit Young's interference by a single photon sensitive camera

We will discuss an imaging measurement with a single photon sensitive and low noise camera aiming to a new paradigm in the optical readout of scintillation detectors. The features of the single photon sensitive camera will be characterized and demonstrated with a measurement on double-slit Young's interference in single photon mode. An imaging test on CsI(Tl) crystal and alpha source will be performed further for preliminary measurements on the noise level and sensitivity of the system with a 1/2", f/1.4 lens, which reaches an sensitivity on light intensity around 1/10 of the 3-inch PMT and shows a potential to realize an imaging of single alpha event. An application proposal to scintillation detectors will be further discussed, where it is usually assumed that the imaging is not possible in such a photon-starved and large-emittance regime.

preprint2022arXiv

Information-Theoretic Limits of Integrated Sensing and Communication with Correlated Sensing and Channel States for Vehicular Networks

In connected vehicular networks, it is vital to have vehicular nodes that are capable of sensing about surrounding environments and exchanging messages with each other for automating and coordinating purpose. Towards this end, integrated sensing and communication (ISAC), combining both sensing and communication systems to jointly utilize their resources and to pursue mutual benefits, emerges as a new cost-effective solution. In ISAC, the hardware and spectrum co-sharing leads to a fundamental tradeoff between sensing and communication performance, which is not well understood except for very simple cases with the same sensing and channel states, and perfect channel state information at the receiver (CSIR). In this paper, a general point-to-point ISAC model is proposed to account for the scenarios that the sensing state is different from but correlated with the channel state, and the CSIR is not necessarily perfect. For the model considered, the optimal tradeoff is characterized by a capacity-distortion function that quantifies the best communication rate for a given sensing distortion constraint requirement. An iterative algorithm is proposed to compute such tradeoff, and a few non-trivial examples are constructed to demonstrate the benefits of ISAC as compared to the separation-based approach.

preprint2022arXiv

Linear-Quadratic Large-Population Problem with Partial Information: Hamiltonian Approach and Riccati Approach

This paper studies a class of partial information linear-quadratic mean-field game problems. A general stochastic large-population system is considered, where the diffusion term of the dynamic of each agent can depend on the state and control. We study both the control constrained case and unconstrained case. In control constrained case, by using Hamiltonian approach and convex analysis, the explicit decentralized strategies can be obtained through projection operator. The corresponding Hamiltonian type consistency condition system is derived, which turns out to be a nonlinear mean-field forward-backward stochastic differential equation with projection operator. The well-posedness of such kind of equations is proved by using discounting method. Moreover, the corresponding $\varepsilon$-Nash equilibrium property is verified. In control unconstrained case, the decentralized strategies can be further represented explicitly as the feedback of filtered state through Riccati approach. The existence and uniqueness of a solution to a new Riccati type consistency condition system is also discussed. As an application, a general inter-bank borrowing and lending problem is studied to illustrate that the effect of partial information cannot be ignored.

preprint2022arXiv

Linear-Quadratic Mean Field Games of Controls with Non-Monotone Data

In this paper, we study a class of linear-quadratic (LQ) mean field games of controls with common noises and their corresponding $N$-player games. The theory of mean field game of controls considers a class of mean field games where the interaction is via the joint law of both the state and control. By the stochastic maximum principle, we first analyze the limiting behavior of the representative player and obtain his/her optimal control in a feedback form with the given distributional flow of the population and its control. The mean field equilibrium is determined by the Nash certainty equivalence (NCE) system. Thanks to the common noise, we do not require any monotonicity conditions for the solvability of the NCE system. We also study the master equation arising from LQ mean field games of controls, which is a finite-dimensional second-order parabolic equation. It can be shown that the master equation admits a unique classical solution over an arbitrary time horizon without any monotonicity conditions. Beyond that, we can solve the $N$-player games directly by further assuming the non-degeneracy of the idiosyncratic noises. As byproducts, we prove the quantitative convergence results from the $N$-player game to the mean field game and the propagation of chaos property for the related optimal trajectories.

preprint2022arXiv

Mass Testing and Characterization of 20-inch PMTs for JUNO

Main goal of the JUNO experiment is to determine the neutrino mass ordering using a 20kt liquid-scintillator detector. Its key feature is an excellent energy resolution of at least 3 % at 1 MeV, for which its instruments need to meet a certain quality and thus have to be fully characterized. More than 20,000 20-inch PMTs have been received and assessed by JUNO after a detailed testing program which began in 2017 and elapsed for about four years. Based on this mass characterization and a set of specific requirements, a good quality of all accepted PMTs could be ascertained. This paper presents the performed testing procedure with the designed testing systems as well as the statistical characteristics of all 20-inch PMTs intended to be used in the JUNO experiment, covering more than fifteen performance parameters including the photocathode uniformity. This constitutes the largest sample of 20-inch PMTs ever produced and studied in detail to date, i.e. 15,000 of the newly developed 20-inch MCP-PMTs from Northern Night Vision Technology Co. (NNVT) and 5,000 of dynode PMTs from Hamamatsu Photonics K. K.(HPK).

preprint2022arXiv

Maximum Temperatures in Evolving Protoplanetary Discs and Composition of Planetary Building Blocks

The maximum temperature and radial temperature profile in a protoplanetary disc are important for the condensation of different elements in the disc. We simulate the evolution of a set of protoplanetary discs from the collapse of their progenitor molecular cloud cores as well as the dust decoupling within the discs as they evolve. We show how the initial properties of the cloud cores affect the thermal history of the protoplanetary discs using a simple viscous disc model. Our results show that the maximum midplane temperature in the disc occurs within 0.5 AU. It increases with the initial cloud temperature and decreases with its angular velocity and the viscosity of the disc. From the observed properties of the molecular cloud cores we find the median value of the maximum temperature is around 1250 K, with roughly 90% of them being less than 1500 K - a value that is lower than the 50% condensation temperatures of most refractory elements. Therefore, only cloud cores with high initial temperatures or low angular velocities and/or low viscosities within the planet-forming discs will result in refractory-rich planetesimals. To reproduce the volatile depletion pattern of CM, CO, and CV chondrites and the terrestrial planets in Solar system, one must either have rare properties of the initial molecular cloud cores like high core temperature, or other sources of energy to heat the disc to sufficiently high temperatures. Alternatively, the volatile depletion observed in these chondrites may be inherited from the progenitor molecular cloud.

preprint2022arXiv

PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecular Generation

The rational design of novel molecules with desired bioactivity is a critical but challenging task in drug discovery, especially when treating a novel target family or understudied targets. Here, we propose PGMG, a pharmacophore-guided deep learning approach for bioactivate molecule generation. Through the guidance of pharmacophore, PGMG provides a flexible strategy to generate bioactive molecules with structural diversity in various scenarios using a trained variational autoencoder. We show that PGMG can generate molecules matching given pharmacophore models while maintaining a high level of validity, uniqueness, and novelty. In the case studies, we demonstrate the application of PGMG to generate bioactive molecules in ligand-based and structure-based drug de novo design, as well as in lead optimization scenarios. Overall, the flexibility and effectiveness of PGMG make it a useful tool for accelerating the drug discovery process.

preprint2022arXiv

Rethinking the Misalignment Problem in Dense Object Detection

Object detection aims to localize and classify the objects in a given image, and these two tasks are sensitive to different object regions. Therefore, some locations predict high-quality bounding boxes but low classification scores, and some locations are quite the opposite. A misalignment exists between the two tasks, and their features are spatially entangled. In order to solve the misalignment problem, we propose a plug-in Spatial-disentangled and Task-aligned operator (SALT). By predicting two task-aware point sets that are located in each task's sensitive regions, SALT can reassign features from those regions and align them to the corresponding anchor point. Therefore, features for the two tasks are spatially aligned and disentangled. To minimize the difference between the two regression stages, we propose a Self-distillation regression (SDR) loss that can transfer knowledge from the refined regression results to the coarse regression results. On the basis of SALT and SDR loss, we propose SALT-Net, which explicitly exploits task-aligned point-set features for accurate detection results. Extensive experiments on the MS-COCO dataset show that our proposed methods can consistently boost different state-of-the-art dense detectors by $\sim$2 AP. Notably, SALT-Net with Res2Net-101-DCN backbone achieves 53.8 AP on the MS-COCO test-dev.

preprint2022arXiv

TripHLApan: predicting HLA molecules binding peptides based on triple coding matrix and transfer learning

Human leukocyte antigen (HLA) is an important molecule family in the field of human immunity, which recognizes foreign threats and triggers immune responses by presenting peptides to T cells. In recent years, the synthesis of tumor vaccines to induce specific immune responses has become the forefront of cancer treatment. Computationally modeling the binding patterns between peptide and HLA can greatly accelerate the development of tumor vaccines. However, most of the prediction methods performance is very limited and they cannot fully take advantage of the analysis of existing biological knowledge as the basis of modeling. In this paper, we propose TripHLApan, a novel pan-specific prediction model, for HLA molecular peptide binding prediction. TripHLApan exhibits powerful prediction ability by integrating triple coding matrix, BiGRU + Attention models, and transfer learning strategy. The comprehensive evaluations demonstrate the effectiveness of TripHLApan in predicting HLA-I and HLA-II peptide binding in different test environments. The predictive power of HLA-I is further demonstrated in the latest data set. In addition, we show that TripHLApan has strong binding reconstitution ability in the samples of a melanoma patient. In conclusion, TripHLApan is a powerful tool for predicting the binding of HLA-I and HLA-II molecular peptides for the synthesis of tumor vaccines.

preprint2021arXiv

BridgeDPI: A Novel Graph Neural Network for Predicting Drug-Protein Interactions

Motivation: Exploring drug-protein interactions (DPIs) work as a pivotal step in drug discovery. The fast expansion of available biological data enables computational methods effectively assist in experimental methods. Among them, deep learning methods extract features only from basic characteristics, such as protein sequences, molecule structures. Others achieve significant improvement by learning from not only sequences/molecules but the protein-protein and drug-drug associations (PPAs and DDAs). The PPAs and DDAs are generally obtained by using computational methods. However, existing computational methods have some limitations, resulting in low-quality PPAs and DDAs that hamper the prediction performance. Therefore, we hope to develop a novel supervised learning method to learn the PPAs and DDAs effectively and thereby improve the prediction performance of the specific task of DPI. Results: In this research, we propose a novel deep learning framework, namely BridgeDPI. BridgeDPI introduces a class of nodes named hyper-nodes, which bridge different proteins/drugs to work as PPAs and DDAs. The hyper-nodes can be supervised learned for the specific task of DPI since the whole process is an end-to-end learning. Consequently, such a model would improve prediction performance of DPI. In three real-world datasets, we further demonstrate that BridgeDPI outperforms state-of-the-art methods. Moreover, ablation studies verify the effectiveness of the hyper-nodes. Last, in an independent verification, BridgeDPI explores the candidate bindings among COVID-19's proteins and various antiviral drugs. And the predictive results accord with the statement of the World Health Organization and Food and Drug Administration, showing the validity and reliability of BridgeDPI.

preprint2021arXiv

JUNO Physics and Detector

The Jiangmen Underground Neutrino Observatory (JUNO) is a 20 kton LS detector at 700-m underground. An excellent energy resolution and a large fiducial volume offer exciting opportunities for addressing many important topics in neutrino and astro-particle physics. With 6 years of data, the neutrino mass ordering can be determined at 3-4 sigma and three oscillation parameters can be measured to a precision of 0.6% or better by detecting reactor antineutrinos. With 10 years of data, DSNB could be observed at 3-sigma; a lower limit of the proton lifetime of 8.34e33 years (90% C.L.) can be set by searching for p->nu_bar K^+; detection of solar neutrinos would shed new light on the solar metallicity problem and examine the vacuum-matter transition region. A core-collapse supernova at 10 kpc would lead to ~5000 IBD and ~2000 (300) all-flavor neutrino-proton (electron) scattering events. Geo-neutrinos can be detected with a rate of ~400 events/year. We also summarize the final design of the JUNO detector and the key R&D achievements. All 20-inch PMTs have been tested. The average photon detection efficiency is 28.9% for the 15,000 MCP PMTs and 28.1% for the 5,000 dynode PMTs, higher than the JUNO requirement of 27%. Together with the >20 m attenuation length of LS, we expect a yield of 1345 p.e. per MeV and an effective energy resolution of 3.02%/\sqrt{E (MeV)}$ in simulations. The underwater electronics is designed to have a loss rate <0.5% in 6 years. With degassing membranes and a micro-bubble system, the radon concentration in the 35-kton water pool could be lowered to <10 mBq/m^3. Acrylic panels of radiopurity <0.5 ppt U/Th are produced. The 20-kton LS will be purified onsite. Singles in the fiducial volume can be controlled to ~10 Hz. The JUNO experiment also features a double calorimeter system with 25,600 3-inch PMTs, a LS testing facility OSIRIS, and a near detector TAO.

preprint2020arXiv

Dust Condensation in Evolving Discs and the Composition of Planetary Building Blocks

Partial condensation of dust from the Solar nebula is likely responsible for the diverse chemical compositions of chondrites and rocky planets/planetesimals in the inner Solar system. We present a forward physical-chemical model of a protoplanetary disc to predict the chemical compositions of planetary building blocks that may form from such a disc. Our model includes the physical evolution of the disc and the condensation, partial advection, and decoupling of the dust within it. The chemical composition of the condensate changes with time and radius. We compare the results of two dust condensation models: one where an element condenses when the midplane temperature in the disc is lower than the 50\% condensation temperature ($\rm T_{50}$) of that element and the other where the condensation of the dust is calculated by a Gibbs free energy minimization technique assuming chemical equilibrium at local disc temperature and pressure. The results of two models are generally consistent with some systematic differences of $\sim 10$\% depending upon the radial distance and an element&#39;s condensation temperature. Both models predict compositions similar to CM, CO, and CV chondrites provided that the decoupling timescale of the dust is on the order of the evolution timescale of the disc or longer. If the decoupling timescale is too short, the composition deviates significantly from the measured values. These models may contribute to our understanding of the chemical compositions of chondrites, and ultimately the terrestrial planets in the solar system, and may constrain the potential chemical compositions of rocky exoplanets.

preprint2020arXiv

General stationary solutions of the nonlocal nonlinear Schrödinger equation and their relevance to the PT-symmetric system

With the stationary solution assumption, we establish the connection between the nonlocal nonlinear Schrödinger (NNLS) equation and an elliptic equation. Then, we obtain the general stationary solutions and discuss the relevance of their smoothness and boundedness to some integral constants. Those solutions, which cover the known results in the literature, include the unbounded Jacobi elliptic-function and hyperbolic-function solutions, the bounded sn-, cn- and dn-function solutions, as well as the hyperbolic soliton solutions. By the imaginary translation transformation of the NNLS equation, we also derive the complex-amplitude stationary solutions, in which all the bounded cases obey either the \PT- or anti-\PT-symmetric relation. In particular, the complex tanh-function solution can exhibit no spatial localization in addition to the dark and anti-dark soliton profiles, which is sharp contrast with the common dark soliton. Considering the physical relevance to \PT-symmetric system, we show that the complex-amplitude stationary solutions can yield a wide class of complex and time-independent \PT-symmetric potentials, and the symmetry breaking does not occur in the \PT-symmetric linear system with the associated potentials.

preprint2020arXiv

Joint Beam Training and Data Transmission Design for Covert Millimeter-Wave Communication

Covert communication prevents legitimate transmission from being detected by a warden while maintaining certain covert rate at the intended user. Prior works have considered the design of covert communication over conventional low-frequency bands, but few works so far have explored the higher-frequency millimeter-wave (mmWave) spectrum. The directional nature of mmWave communication makes it attractive for covert transmission. However, how to establish such directional link in a covert manner in the first place remains as a significant challenge. In this paper, we consider a covert mmWave communication system, where legitimate parties Alice and Bob adopt beam training approach for directional link establishment. Accounting for the training overhead, we develop a new design framework that jointly optimizes beam training duration, training power and data transmission power to maximize the effective throughput of Alice-Bob link while ensuring the covertness constraint at warden Willie is met. We further propose a dual-decomposition successive convex approximation algorithm to solve the problem efficiently. Numerical studies demonstrate interesting tradeoff among the key design parameters considered and also the necessity of joint design of beam training and data transmission for covert mmWave communication.

preprint2020arXiv

Millimeter-Wave Beam Search with Iterative Deactivation and Beam Shifting

Millimeter Wave (mmWave) communications rely on highly directional beams to combat severe propagation loss. In this paper, an adaptive beam search algorithm based on spatial scanning, called Iterative Deactivation and Beam Shifting (IDBS), is proposed for mmWave beam alignment. IDBS does not require advance information such as the Signal-to-Noise Ratio (SNR) and channel statistics, and matches the training overhead to the unknown SNR to achieve satisfactory performance. The algorithm works by gradually deactivating beams using a Bayesian probability criterion based on a uniform improper prior, where beam deactivation can be implemented with low-complexity operations that require computing a low-degree polynomial or a search through a look-up table. Numerical results confirm that IDBS adapts to different propagation scenarios such as line-of-sight and non-line-of-sight and to different SNRs. It can achieve better tradeoffs between training overhead and beam alignment accuracy than existing non-adaptive algorithms that have fixed training overheads.

preprint2020arXiv

Multi-View Photometric Stereo: A Robust Solution and Benchmark Dataset for Spatially Varying Isotropic Materials

We present a method to capture both 3D shape and spatially varying reflectance with a multi-view photometric stereo (MVPS) technique that works for general isotropic materials. Our algorithm is suitable for perspective cameras and nearby point light sources. Our data capture setup is simple, which consists of only a digital camera, some LED lights, and an optional automatic turntable. From a single viewpoint, we use a set of photometric stereo images to identify surface points with the same distance to the camera. We collect this information from multiple viewpoints and combine it with structure-from-motion to obtain a precise reconstruction of the complete 3D shape. The spatially varying isotropic bidirectional reflectance distribution function (BRDF) is captured by simultaneously inferring a set of basis BRDFs and their mixing weights at each surface point. In experiments, we demonstrate our algorithm with two different setups: a studio setup for highest precision and a desktop setup for best usability. According to our experiments, under the studio setting, the captured shapes are accurate to 0.5 millimeters and the captured reflectance has a relative root-mean-square error (RMSE) of 9%. We also quantitatively evaluate state-of-the-art MVPS on a newly collected benchmark dataset, which is publicly available for inspiring future research.

preprint2020arXiv

Numerical methods for stochastic Volterra integral equations with weakly singular kernels

In this paper, we first establish the existence, uniqueness and Hölder continuity of the solution to stochastic Volterra integral equations with weakly singular kernels. Then, we propose a $θ$-Euler-Maruyama scheme and a Milstein scheme to solve the equations numerically and we obtain the strong rates of convergence for both schemes in $L^{p}$ norm for any $p\geq 1$. For the $θ$-Euler-Maruyama scheme the rate is $\min\{1-α,\frac{1}{2}-β\}~ % (0<α<1, 0< β<\frac{1}{2})$ and for the Milstein scheme the rate is $\min\{1-α,1-2β\}$ when $α\neq \frac 12$, where $(0<α<1, 0< β<\frac{1}{2})$. These results on the rates of convergence are significantly different from that of the similar schemes for the stochastic Volterra integral equations with regular kernels. The difficulty to obtain our results is the lack of Itô formula for the equations. To get around of this difficulty we use instead the Taylor formula and then carry a sophisticated analysis on the equation the solution satisfies.

preprint2020arXiv

Robust Adaptive Beam Tracking for Mobile Millimetre Wave Communications

Millimetre wave (mmWave) beam tracking is a challenging task because tracking algorithms are required to provide consistent high accuracy with low probability of loss of track and minimal overhead. To meet these requirements, we propose in this paper a new analog beam tracking framework namely Adaptive Tracking with Stochastic Control (ATSC). Under this framework, beam direction updates are made using a novel mechanism based on measurements taken from only two beam directions perturbed from the current data beam. To achieve high tracking accuracy and reliability, we provide a systematic approach to jointly optimise the algorithm parameters. The complete framework includes a method for adapting the tracking rate together with a criterion for realignment (perceived loss of track). ATSC adapts the amount of tracking overhead that matches well to the mobility level, without incurring frequent loss of track, as verified by an extensive set of experiments under both representative statistical channel models as well as realistic urban scenarios simulated by ray-tracing software. In particular, numerical results show that ATSC can track dominant channel directions with high accuracy for vehicles moving at 72 km/hour in complicated urban scenarios, with an overhead of less than 1\%.

preprint2020arXiv

The stabilizing index and cyclic index of coalescence and Cartesian product of uniform hypergraphs

Let $G$ be connected uniform hypergraph and let $\mathcal{A}(G)$ be the adjacency tensor of $G$. The stabilizing index of $G$ is the number of eigenvectors of $\mathcal{A}(G)$ associated with the spectral radius, and the cyclic index of $G$ is the number of eigenvalues of $\mathcal{A}(G)$ with modulus equal to the spectral radius. Let $G_1 \odot G_2$ and $G_1 \Box G_2$ be the coalescence and Cartesian product of connected $m$-uniform hypergraphs $G_1$ and $G_2$ respectively. In this paper, we give explicit formulas for the the stabilizing indices and cyclic indices of $G_1 \odot G_2$ and $G_1 \Box G_2$ in terms of those of $G_1$ and $G_2$ or the invariant divisors of their incidence matrices over $\mathbb{Z}_m$, respectively.

preprint2020arXiv

UAV-Enabled Confidential Data Collection in Wireless Networks

This work, for the first time, considers confidential data collection in the context of unmanned aerial vehicle (UAV) wireless networks, where the scheduled ground sensor node (SN) intends to transmit confidential information to the UAV without being intercepted by other unscheduled ground SNs. Specifically, a full-duplex (FD) UAV collects data from each scheduled SN on the ground and generates artificial noise (AN) to prevent the scheduled SN&#39;s confidential information from being wiretapped by other unscheduled SNs. We first derive the reliability outage probability (ROP) and secrecy outage probability (SOP) of a considered fixed-rate transmission, based on which we formulate an optimization problem that maximizes the minimum average secrecy rate (ASR) subject to some specific constraints. We then transform the formulated optimization problem into a convex problem with the aid of first-order restrictive approximation technique and penalty method. The resultant problem is a generalized nonlinear convex programming (GNCP) and solving it directly still leads to a high complexity, which motivates us to further approximate this problem as a second-order cone program (SOCP) in order to reduce the computational complexity. Finally, we develop an iteration procedure based on penalty successive convex approximation (P-SCA) algorithm to pursue the solution to the formulated optimization problem. Our examination shows that the developed joint design achieves a significant performance gain compared to a benchmark scheme.