arXiv subjects

Hang Hu

Publications and source records attributed to Hang Hu.

At least 19 recordsLinked to original sources

arXiv2026

Flux Estimates and Detection Prospects for Lunar Geoneutrinos

The distribution of heat-producing elements (U, Th, K) within the Moon is critical for understanding its thermal evolution and formation history. Based on a refined lunar interior model, we calculate the geoneutrino fluxes at two representative detector locations that bracket the expected signal intensity. The maximum flux is found to be slightly lower than the corresponding predicted fluxes for the KamLAND site on Earth, while the minimum flux is approximately a factor of 8.63 lower than this maximum value. The angular distributions of geoneutrinos arriving at the two locations were further computed. Finally, we evaluate the detection prospects for lunar geoneutrinos using three reaction channels: inverse beta decay reaction, elastic scattering on electrons, and a novel radiochemical approach based on $\bar{\nu}_e + ^3$He $\to e^+ + ^3$H. For each reaction, we calculate the expected event rates and briefly discuss the potential for measuring the total geoneutrino flux, as well as the relative contributions from U, Th, and K.

hep-ph↗

arXiv2025

DRL-Based Robust Multi-Timescale Anti-Jamming Approaches under State Uncertainty

Owing to the openness of wireless channels, wireless communication systems are highly susceptible to malicious jamming. Most existing anti-jamming methods rely on the assumption of accurate sensing and optimize parameters on a single timescale. However, such methods overlook two practical issues: mismatched execution latencies across heterogeneous actions and measurement errors caused by sensor imperfections. Especially for deep reinforcement learning (DRL)-based methods, the inherent sensitivity of neural networks implies that even minor perturbations in the input can mislead the agent into choosing suboptimal actions, with potentially severe consequences. To ensure reliable wireless transmission, we establish a multi-timescale decision model that incorporates state uncertainty. Subsequently, we propose two robust schemes that sustain performance under bounded sensing errors. First, a Projected Gradient Descent-assisted Double Deep Q-Network (PGD-DDQN) algorithm is designed, which derives worst-case perturbations under a norm-bounded error model and applies PGD during training for robust optimization. Second, a Nonlinear Q-Compression DDQN (NQC-DDQN) algorithm introduces a nonlinear compression mechanism that adaptively contracts Q-value ranges to eliminate action aliasing. Simulation results indicate that, compared with the perfect-sensing baseline, the proposed algorithms show only minor degradation in anti-jamming performance while maintaining robustness under various perturbations, thereby validating their practicality in imperfect sensing conditions.

cs.IT↗

arXiv2025

Numerically Exact Configuration Interaction at Quadrillion-Determinant Scale

The combinatorial scaling of configuration interaction (CI) has long restricted its applicability to only the simplest molecular systems. Here, we report the first numerically exact CI calculation exceeding one quadrillion ($10^{15}$) determinants, enabled by categorical compression within the small-tensor-product distributed active space (STP-DAS) framework. As a demonstration, we converged the relativistic complete active space CI (CASCI) ground state of HBrTe involving over $10^{15}$ complex-valued 2-spinor determinants in under 34.5 hours (time-to-completion) using 1000 nodes, representing the largest CASCI calculation reported to date. Additionally, we achieved $\boldsymbol{\sigma}$-build times of just 5 minutes for systems with approximately 150 billion complex-valued 2-spinor determinants using only a few compute nodes. Extensive benchmarks confirm that the method retains numerical exactness with drastically reduced resource demands. Compared to previous state-of-the-art CI calculations, this work represents a 3-orders-of-magnitude increase in CI space, a 6-orders-of-magnitude increase in FLOP count, and a 6-orders-of-magnitude improvement in computational speed. By introducing a numerically exact, categorically compressed representation of the CI expansion vectors and reformulating the $\boldsymbol{\sigma}$-build accordingly, we eliminate memory bottlenecks associated with storing excitation lists and CI vectors while significantly reducing computational cost. A compression-compatible preconditioner further enhances performance by generating compressed CI expansion vectors throughout Davidson iterations. This work establishes a new computational frontier for numerically exact CI methods, enabling chemically and physically accurate simulations of strongly correlated, spin-orbit coupled systems previously thought to be beyond reach.

physics.chem-ph↗

arXiv2024

Fast Graph Vector Search via Hardware Acceleration and Delayed-Synchronization Traversal

Vector search systems are indispensable in large language model (LLM) serving, search engines, and recommender systems, where minimizing online search latency is essential. Among various algorithms, graph-based vector search (GVS) is particularly popular due to its high search performance and quality. However, reducing GVS latency by intra-query parallelization remains challenging due to limitations imposed by both existing hardware architectures (CPUs and GPUs) and the inherent difficulty of parallelizing graph traversals. To efficiently serve low-latency GVS, we co-design hardware and algorithm by proposing Falcon and Delayed-Synchronization Traversal (DST). Falcon is a hardware GVS accelerator that implements efficient GVS operators, pipelines these operators, and reduces memory accesses by tracking search states with an on-chip Bloom filter. DST is an efficient graph traversal algorithm that simultaneously improves search performance and quality by relaxing traversal orders to maximize accelerator utilization. Evaluation across various graphs and datasets shows that Falcon, prototyped on FPGAs, together with DST, achieves up to 4.3x and 19.5x lower latency and up to 8.0x and 26.9x improvements in energy efficiency over CPU- and GPU-based GVS systems.

cs.AR↗

arXiv2024

Computationally Efficient Molecular Integrals of Solid Harmonic Gaussian Orbitals Using Quantum Entanglement of Angular Momentum

Evaluating multi-center molecular integrals with Cartesian Gaussian-type basis sets has been a long-standing bottleneck in electronic structure theory calculation for solids and molecules. We have developed a vector-coupling and vector-uncoupling scheme to solve molecular Coulomb integrals with solid harmonics basis functions(SHGO). Solid harmonics are eigenstates of angular momentum, making it possible to factorize molecular integrals. By combining solid harmonic addition, differential and product rules, the computationally costly multi-center four-center integrals can be factored into an angular part and a radial component dependent on the atomic positions. The potential speed-up ratio in evaluating molecular nuclear Coulomb integrals in our method can reach up to four orders of magnitude for atomic orbitals with high angular momentum quantum numbers. The foundation underpinning the mathematical efficiency is the quantum angular momentum theory, where both vector-coupling and vector-uncoupling schemes correspond to unitary Clebsch-Gordan transformations that act on quantum angular momentum states, influencing their degree of entanglement. By incorporating quantum angular momentum through these transformations, the entanglement of the states can be reduced, and the less entanglement there is for a quantum system, the easier it is to simulate. The highly efficient method unveiled here opens new avenues for accelerated material and molecule design and discovery.

quant-ph↗

arXiv2024

A Physics-driven GraphSAGE Method for Physical Process Simulations Described by Partial Differential Equations

Physics-informed neural networks (PINNs) have successfully addressed various computational physics problems based on partial differential equations (PDEs). However, while tackling issues related to irregularities like singularities and oscillations, trained solutions usually suffer low accuracy. In addition, most current works only offer the trained solution for predetermined input parameters. If any change occurs in input parameters, transfer learning or retraining is required, and traditional numerical techniques also need an independent simulation. In this work, a physics-driven GraphSAGE approach (PD-GraphSAGE) based on the Galerkin method and piecewise polynomial nodal basis functions is presented to solve computational problems governed by irregular PDEs and to develop parametric PDE surrogate models. This approach employs graph representations of physical domains, thereby reducing the demands for evaluated points due to local refinement. A distance-related edge feature and a feature mapping strategy are devised to help training and convergence for singularity and oscillation situations, respectively. The merits of the proposed method are demonstrated through a couple of cases. Moreover, the robust PDE surrogate model for heat conduction problems parameterized by the Gaussian random field source is successfully established, which not only provides the solution accurately but is several times faster than the finite element method in our experiments.

cs.LG↗

arXiv2023

A Robust Deep Learning Method with Uncertainty Estimation for the Pathological Classification of Renal Cell Carcinoma based on CT Images

Objectives To develop and validate a deep learning-based diagnostic model incorporating uncertainty estimation so as to facilitate radiologists in the preoperative differentiation of the pathological subtypes of renal cell carcinoma (RCC) based on CT images. Methods Data from 668 consecutive patients, pathologically proven RCC, were retrospectively collected from Center 1. By using five-fold cross-validation, a deep learning model incorporating uncertainty estimation was developed to classify RCC subtypes into clear cell RCC (ccRCC), papillary RCC (pRCC), and chromophobe RCC (chRCC). An external validation set of 78 patients from Center 2 further evaluated the model's performance. Results In the five-fold cross-validation, the model's area under the receiver operating characteristic curve (AUC) for the classification of ccRCC, pRCC, and chRCC was 0.868 (95% CI: 0.826-0.923), 0.846 (95% CI: 0.812-0.886), and 0.839 (95% CI: 0.802-0.88), respectively. In the external validation set, the AUCs were 0.856 (95% CI: 0.838-0.882), 0.787 (95% CI: 0.757-0.818), and 0.793 (95% CI: 0.758-0.831) for ccRCC, pRCC, and chRCC, respectively. Conclusions The developed deep learning model demonstrated robust performance in predicting the pathological subtypes of RCC, while the incorporated uncertainty emphasized the importance of understanding model confidence, which is crucial for assisting clinical decision-making for patients with renal tumors. Clinical relevance statement Our deep learning approach, integrated with uncertainty estimation, offers clinicians a dual advantage: accurate RCC subtype predictions complemented by diagnostic confidence references, promoting informed decision-making for patients with RCC.

eess.IV↗

arXiv2023

Machine learning for the prediction of safe and biologically active organophosphorus molecules

Drug discovery is a complex process with a large molecular space to be considered. By constraining the search space, the fragment-based drug design is an approach that can effectively sample the chemical space of interest. Here we propose a framework of Recurrent Neural Networks (RNN) with an attention model to sample the chemical space of organophosphorus molecules using the fragment-based approach. The framework is trained with a ZINC dataset that is screened for high druglikeness scores. The goal is to predict molecules with similar biological action modes as organophosphorus pesticides or chemical warfare agents yet less toxic to humans. The generated molecules contain a starting fragment of PO2F but have a bulky hydrocarbon side chain limiting its binding effectiveness to the targeted protein.

cs.LG↗

arXiv2023

CHA2: CHemistry Aware Convex Hull Autoencoder Towards Inverse Molecular Design

Optimizing molecular design and discovering novel chemical structures to meet certain objectives, such as quantitative estimates of the drug-likeness score (QEDs), is NP-hard due to the vast combinatorial design space of discrete molecular structures, which makes it near impossible to explore the entire search space comprehensively to exploit de novo structures with properties of interest. To address this challenge, reducing the intractable search space into a lower-dimensional latent volume helps examine molecular candidates more feasibly via inverse design. Autoencoders are suitable deep learning techniques, equipped with an encoder that reduces the discrete molecular structure into a latent space and a decoder that inverts the search space back to the molecular design. The continuous property of the latent space, which characterizes the discrete chemical structures, provides a flexible representation for inverse design in order to discover novel molecules. However, exploring this latent space requires certain insights to generate new structures. We propose using a convex hall surrounding the top molecules in terms of high QEDs to ensnare a tight subspace in the latent representation as an efficient way to reveal novel molecules with high QEDs. We demonstrate the effectiveness of our suggested method by using the QM9 as a training dataset along with the Self- Referencing Embedded Strings (SELFIES) representation to calibrate the autoencoder in order to carry out the Inverse molecular design that leads to unfold novel chemical structure.

cs.LG↗

arXiv2022

Deep Learning Approach for Dynamic Sampling for Multichannel Mass Spectrometry Imaging

Mass Spectrometry Imaging (MSI), using traditional rectilinear scanning, takes hours to days for high spatial resolution acquisitions. Given that most pixels within a sample's field of view are often neither relevant to underlying biological structures nor chemically informative, MSI presents as a prime candidate for integration with sparse and dynamic sampling algorithms. During a scan, stochastic models determine which locations probabilistically contain information critical to the generation of low-error reconstructions. Decreasing the number of required physical measurements thereby minimizes overall acquisition times. A Deep Learning Approach for Dynamic Sampling (DLADS), utilizing a Convolutional Neural Network (CNN) and encapsulating molecular mass intensity distributions within a third dimension, demonstrates a simulated 70% throughput improvement for Nanospray Desorption Electrospray Ionization (nano-DESI) MSI tissues. Evaluations are conducted between DLADS and a Supervised Learning Approach for Dynamic Sampling, with Least-Squares regression (SLADS-LS) and a Multi-Layer Perceptron (MLP) network (SLADS-Net). When compared with SLADS-LS, limited to a single m/z channel, as well as multichannel SLADS-LS and SLADS-Net, DLADS respectively improves regression performance by 36.7%, 7.0%, and 6.2%, resulting in gains to reconstruction quality of 6.0%, 2.1%, and 3.4% for acquisition of targeted m/z.

eess.IV↗

arXiv2022

A Cooperative Deception Strategy for Covert Communication in Presence of a Multi-antenna Adversary

Covert transmission is investigated for a cooperative deception strategy, where a cooperative jammer (Jammer) tries to attract a multi-antenna adversary (Willie) and degrade the adversary's reception ability for the signal from a transmitter (Alice). For this strategy, we formulate an optimization problem to maximize the covert rate when three different types of channel state information (CSI) are available. The total power is optimally allocated between Alice and Jammer subject to Kullback-Leibler (KL) divergence constraint. Different from the existing literature, in our proposed strategy, we also determine the optimal transmission power at the jammer when Alice is silent, while existing works always assume that the jammer's power is fixed. Specifically, we apply the S-procedure to convert infinite constraints into linear-matrix-inequalities (LMI) constraints. When statistical CSI at Willie is available, we convert double integration to single integration using asymptotic approximation and substitution method. In addition, the transmission strategy without jammer deception is studied as a benchmark. Finally, our simulation results show that for the proposed strategy, the covert rate is increased with the number of antennas at Willie. Moreover, compared to the benchmark, our proposed strategy is more robust in face of imperfect CSI.

eess.SP↗

arXiv2022

Training Overparametrized Neural Networks in Sublinear Time

The success of deep learning comes at a tremendous computational and energy cost, and the scalability of training massively overparametrized neural networks is becoming a real barrier to the progress of artificial intelligence (AI). Despite the popularity and low cost-per-iteration of traditional backpropagation via gradient decent, stochastic gradient descent (SGD) has prohibitive convergence rate in non-convex settings, both in theory and practice. To mitigate this cost, recent works have proposed to employ alternative (Newton-type) training methods with much faster convergence rate, albeit with higher cost-per-iteration. For a typical neural network with $m=\mathrm{poly}(n)$ parameters and input batch of $n$ datapoints in $\mathbb{R}^d$, the previous work of [Brand, Peng, Song, and Weinstein, ITCS'2021] requires $\sim mnd + n^3$ time per iteration. In this paper, we present a novel training method that requires only $m^{1-\alpha} n d + n^3$ amortized time in the same overparametrized regime, where $\alpha \in (0.01,1)$ is some fixed constant. This method relies on a new and alternative view of neural networks, as a set of binary search trees, where each iteration corresponds to modifying a small subset of the nodes in the tree. We believe this view would have further applications in the design and analysis of deep neural networks (DNNs).

cs.LG↗

arXiv2022

Sublinear Time Algorithm for Online Weighted Bipartite Matching

Online bipartite matching is a fundamental problem in online algorithms. The goal is to match two sets of vertices to maximize the sum of the edge weights, where for one set of vertices, each vertex and its corresponding edge weights appear in a sequence. Currently, in the practical recommendation system or search engine, the weights are decided by the inner product between the deep representation of a user and the deep representation of an item. The standard online matching needs to pay $nd$ time to linear scan all the $n$ items, computing weight (assuming each representation vector has length $d$), and then deciding the matching based on the weights. However, in reality, the $n$ could be very large, e.g. in online e-commerce platforms. Thus, improving the time of computing weights is a problem of practical significance. In this work, we provide the theoretical foundation for computing the weights approximately. We show that, with our proposed randomized data structures, the weights can be computed in sublinear time while still preserving the competitive ratio of the matching algorithm.

cs.DS↗

arXiv2022

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 $\mu$ s and 20 $\mu$ 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.

physics.ins-det↗

arXiv2022

Exploring neutrinos from proton decays catalyzed by GUT monopoles in the Sun

We explore the neutrino signals from proton decays catalyzed by GUT monopoles in the Sun. Three typical proton decay modes, $p \rightarrow e^+ + (\rho^0, \eta, \omega...) \rightarrow \pi^+$, $p \rightarrow \mu^+ K^0$ and $p \rightarrow \bar{\nu}_e \pi^+$, have been analyzed for the Super-Kamiokande experiment. The monopole-induced neutrinos arise from interactions and subsequent decays of the proton decay products. To obtain the neutrino energy spectra, we use the Geant4 software to simulate propagations of daughter particles in the highly-dense solar center. It is found that $K^0$ can produce a large amount of 236 MeV monoenergetic $\nu_\mu$ neutrinos through the charge exchange process $K^0 + p \rightarrow K^+ + n$ and the subsequent decay $K^+ \rightarrow \mu^+ \nu_\mu$ at rest. Based on this interesting feature, $p \rightarrow \mu^+ K^0$ can give the best discovery potential among three decay modes for most of the parameter space. In addition, we present the Super-Kamiokande sensitivities to the monopole flux for three proton decay modes.

hep-ph↗

arXiv2021

Implementation of residual nucleus de-excitations associated with proton decays in $^{12} {\rm C}$ based on the GENIE generator and TALYS code

We implement the de-excitation processes of residual nuclei associated with proton decays in $^{12} {\rm C}$ based on the GENIE generator and TALYS code. To derive the reasonable excitation energy spectra of residual nuclei $^{11} {\rm B}$, $^{10} {\rm B}$ and $^{10} {\rm Be}$, the default GENIE nucleon decay generator is modified in terms of the Spectral Function nuclear model. Then we use the TALYS code to estimate the de-excitation processes of residual nuclei. The TALYS calculation can partly account for the experimental data.

nucl-th↗

arXiv2021

Efficient Four-Component Dirac-Coulomb-Gaunt Hartree--Fock in Pauli Spinor Representation

Four-component Dirac Hartree--Fock is an accurate mean-field method for treating molecular systems where relativistic effects are important. However, the computational cost and complexity of the two-electron interaction makes this method less common, even though we can consider the Dirac Hartree--Fock Hamiltonian the "ground truth" of electronic structure, barring explicit quantum-electrodynamical effects. Being able to calculate these effects is then vital to the design of lower scaling methods for accurate predictions in computational spectroscopy and properties of heavy element complexes that must include relativistic effects for even qualitative accuracy. In this work, we present a Pauli quaternion formalism of maximal component- and spin-separation for computing the Dirac-Coulomb-Gaunt Hartree--Fock ground state, with a minimal floating-point-operation count algorithm. This approach also allows one to explicitly separate different spin physics from the two-body interactions, such as spin-free, spin-orbit, and the spin-spin contributions. Additionally, we use this formalism to examine relativistic trends in the periodic table, and analyze the basis set dependence of atomic gold and gold dimer systems.

physics.chem-ph↗

arXiv2020

Quasi-Direct Drive Actuation for a Lightweight Hip Exoskeleton with High Backdrivability and High Bandwidth

High-performance actuators are crucial to enable mechanical versatility of lower-limb wearable robots, which are required to be lightweight, highly backdrivable, and with high bandwidth. State-of-the-art actuators, e.g., series elastic actuators (SEAs), have to compromise bandwidth to improve compliance (i.e., backdrivability). In this paper, we describe the design and human-robot interaction modeling of a portable hip exoskeleton based on our custom quasi-direct drive (QDD) actuation (i.e., a high torque density motor with low ratio gear). We also present a model-based performance benchmark comparison of representative actuators in terms of torque capability, control bandwidth, backdrivability, and force tracking accuracy. This paper aims to corroborate the underlying philosophy of "design for control", namely meticulous robot design can simplify control algorithms while ensuring high performance. Following this idea, we create a lightweight bilateral hip exoskeleton (overall mass is 3.4 kg) to reduce joint loadings during normal activities, including walking and squatting. Experimental results indicate that the exoskeleton is able to produce high nominal torque (17.5 Nm), high backdrivability (0.4 Nm backdrive torque), high bandwidth (62.4 Hz), and high control accuracy (1.09 Nm root mean square tracking error, i.e., 5.4% of the desired peak torque). Its controller is versatile to assist walking at different speeds (0.8-1.4 m/s) and squatting at 2 s cadence. This work demonstrates significant improvement in backdrivability and control bandwidth compared with state-of-the-art exoskeletons powered by the conventional actuation or SEA.

cs.RO↗