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Zezhong Zhang

Publications and source records attributed to Zezhong Zhang.

At least 37 records · Page 2Linked to original sources

GenAI4UQ: A Software for Inverse Uncertainty Quantification Using Conditional Generative Models

We introduce GenAI4UQ, a software package for inverse uncertainty quantification in model calibration, parameter estimation, and ensemble forecasting in scientific applications. GenAI4UQ leverages a generative artificial intelligence (AI) based conditional modeling framework to address the limitations of traditional inverse modeling techniques, such as Markov Chain Monte Carlo methods. By replacing computationally intensive iterative processes with a direct, learned mapping, GenAI4UQ enables efficient calibration of model input parameters and generation of output predictions directly from observations. The software's design allows for rapid ensemble forecasting with robust uncertainty quantification, while maintaining high computational and storage efficiency. GenAI4UQ simplifies the model training process through built-in auto-tuning of hyperparameters, making it accessible to users with varying levels of expertise. Its conditional generative framework ensures versatility, enabling applicability across a wide range of scientific domains. At its core, GenAI4UQ transforms the paradigm of inverse modeling by providing a fast, reliable, and user-friendly solution. It empowers researchers and practitioners to quickly estimate parameter distributions and generate model predictions for new observations, facilitating efficient decision-making and advancing the state of uncertainty quantification in computational modeling. (The code and data are available at https://github.com/patrickfan/GenAI4UQ).

cs.LG↗

Relativistic EELS scattering cross-sections for microanalysis based on Dirac solutions

The rich information of electron energy-loss spectroscopy (EELS) comes from the complex inelastic scattering process whereby fast electrons transfer energy and momentum to atoms, exciting bound electrons from their ground states to higher unoccupied states. To quantify EELS, the common practice is to compare the cross-sections integrated within an energy window or fit the observed spectrum with theoretical differential cross-sections calculated from a generalized oscillator strength (GOS) database with experimental parameters. The previous Hartree-Fock-based and DFT-based GOS are calculated from Schrödinger's solution of atomic orbitals, which does not include the full relativistic effects. Here, we attempt to go beyond the limitations of the Schrödinger solution in the GOS tabulation by including the full relativistic effects using the Dirac equation within the local density approximation, which is particularly important for core-shell electrons of heavy elements with strong spin-orbit coupling. This has been done for all elements in the periodic table (up to Z = 118) for all possible excitation edges using modern computing capabilities and parallelization algorithms. The relativistic effects of fast incoming electrons were included to calculate cross-sections that are specific to the acceleration voltage. We make these tabulated GOS available under an open-source license to the benefit of both academic users as well as allowing integration into commercial solutions.

physics.atom-ph↗

Improved precision and accuracy of electron energy-loss spectroscopy quantification via fine structure fitting with constrained optimization

By working out the Bethe sum rule, a boundary condition that takes the form of a linear equality is derived for the fine structure observed in ionization edges present in electron energy-loss spectra. This condition is subsequently used as a constraint in the estimation process of the elemental abundances, demonstrating starkly improved precision and accuracy and reduced sensitivity to the number of model parameters. Furthermore, the fine structure is reliably extracted from the spectra in an automated way, thus providing critical information on the sample's electronic properties that is hard or impossible to obtain otherwise. Since this approach allows dispensing with the need for user-provided input, a potential source of bias is prevented.

cond-mat.mtrl-sci↗

Nonuniform random feature models using derivative information

We propose nonuniform data-driven parameter distributions for neural network initialization based on derivative data of the function to be approximated. These parameter distributions are developed in the context of non-parametric regression models based on shallow neural networks, and compare favorably to well-established uniform random feature models based on conventional weight initialization. We address the cases of Heaviside and ReLU activation functions, and their smooth approximations (sigmoid and softplus), and use recent results on the harmonic analysis and sparse representation of neural networks resulting from fully trained optimal networks. Extending analytic results that give exact representation, we obtain densities that concentrate in regions of the parameter space corresponding to neurons that are well suited to model the local derivatives of the unknown function. Based on these results, we suggest simplifications of these exact densities based on approximate derivative data in the input points that allow for very efficient sampling and lead to performance of random feature models close to optimal networks in several scenarios.

cs.LG↗

An Ensemble Score Filter for Tracking High-Dimensional Nonlinear Dynamical Systems

We propose an ensemble score filter (EnSF) for solving high-dimensional nonlinear filtering problems with superior accuracy. A major drawback of existing filtering methods, e.g., particle filters or ensemble Kalman filters, is the low accuracy in handling high-dimensional and highly nonlinear problems. EnSF attacks this challenge by exploiting the score-based diffusion model, defined in a pseudo-temporal domain, to characterizing the evolution of the filtering density. EnSF stores the information of the recursively updated filtering density function in the score function, instead of storing the information in a set of finite Monte Carlo samples (used in particle filters and ensemble Kalman filters). Unlike existing diffusion models that train neural networks to approximate the score function, we develop a training-free score estimation that uses a mini-batch-based Monte Carlo estimator to directly approximate the score function at any pseudo-spatial-temporal location, which provides sufficient accuracy in solving high-dimensional nonlinear problems as well as saves a tremendous amount of time spent on training neural networks. High-dimensional Lorenz-96 systems are used to demonstrate the performance of our method. EnSF provides surprising performance, compared with the state-of-the-art Local Ensemble Transform Kalman Filter method, in reliably and efficiently tracking extremely high-dimensional Lorenz systems (up to 1,000,000 dimensions) with highly nonlinear observation processes.

stat.ML↗

Knowledge Base Enabled Semantic Communication: A Generative Perspective

Semantic communication is widely touted as a key technology for propelling the sixth-generation (6G) wireless networks. However, providing effective semantic representation is quite challenging in practice. To address this issue, this article takes a crack at exploiting semantic knowledge base (KB) to usher in a new era of generative semantic communication. Via semantic KB, source messages can be characterized in low-dimensional subspaces without compromising their desired meanings, thus significantly enhancing the communication efficiency. The fundamental principle of semantic KB is first introduced, and a generative semantic communication architecture is developed by presenting three sub-KBs, namely source, task, and channel KBs. Then, the detailed construction approaches for each sub-KB are described, followed by their utilization in terms of semantic coding and transmission. A case study is also provided to showcase the superiority of generative semantic communication over conventional syntactic communication and classical semantic communication. In a nutshell, this article establishes a scientific foundation for the exciting uncharted frontier of generative semantic communication.

cs.IT↗

Fast and Accurate Cooperative Radio Map Estimation Enabled by GAN

In the 6G era, real-time radio resource monitoring and management are urged to support diverse wireless-empowered applications. This calls for fast and accurate estimation on the distribution of the radio resources, which is usually represented by the spatial signal power strength over the geographical environment, known as a radio map. In this paper, we present a cooperative radio map estimation (CRME) approach enabled by the generative adversarial network (GAN), called as GAN-CRME, which features fast and accurate radio map estimation without the transmitters' information. The radio map is inferred by exploiting the interaction between distributed received signal strength (RSS) measurements at mobile users and the geographical map using a deep neural network estimator, resulting in low data-acquisition cost and computational complexity. Moreover, a GAN-based learning algorithm is proposed to boost the inference capability of the deep neural network estimator by exploiting the power of generative AI. Simulation results showcase that the proposed GAN-CRME is even capable of coarse error-correction when the geographical map information is inaccurate.

cs.IT↗

Improving the Expressive Power of Deep Neural Networks through Integral Activation Transform

The impressive expressive power of deep neural networks (DNNs) underlies their widespread applicability. However, while the theoretical capacity of deep architectures is high, the practical expressive power achieved through successful training often falls short. Building on the insights gained from Neural ODEs, which explore the depth of DNNs as a continuous variable, in this work, we generalize the traditional fully connected DNN through the concept of continuous width. In the Generalized Deep Neural Network (GDNN), the traditional notion of neurons in each layer is replaced by a continuous state function. Using the finite rank parameterization of the weight integral kernel, we establish that GDNN can be obtained by employing the Integral Activation Transform (IAT) as activation layers within the traditional DNN framework. The IAT maps the input vector to a function space using some basis functions, followed by nonlinear activation in the function space, and then extracts information through the integration with another collection of basis functions. A specific variant, IAT-ReLU, featuring the ReLU nonlinearity, serves as a smooth generalization of the scalar ReLU activation. Notably, IAT-ReLU exhibits a continuous activation pattern when continuous basis functions are employed, making it smooth and enhancing the trainability of the DNN. Our numerical experiments demonstrate that IAT-ReLU outperforms regular ReLU in terms of trainability and better smoothness.

cs.LG↗

A Unified Filter Method for Jointly Estimating State and Parameters of Stochastic Dynamical Systems via the Ensemble Score Filter

This paper tackles the intricate task of jointly estimating state and parameters in data assimilation for stochastic dynamical systems that are affected by noise and observed only partially. While the concept of ``optimal filtering'' serves as the customary approach to estimate the state of the target dynamical system, traditional methods such as Kalman filters and particle filters encounter significant challenges when dealing with high-dimensional and nonlinear problems. When we also consider the scenario where the model parameters are unknown, the problem transforms into a joint state-parameter estimation endeavor. Presently, the leading-edge technique known as the Augmented Ensemble Kalman Filter (AugEnKF) addresses this issue by treating unknown parameters as additional state variables and employing the Ensemble Kalman Filter to estimate the augmented state-parameter vector. Despite its considerable progress, AugEnKF does exhibit certain limitations in terms of accuracy and stability. To address these challenges, we introduce an innovative approach, referred to as the United Filter. This method amalgamates a remarkably stable and efficient ensemble score filter (EnSF) for state estimation with a precise direct filter dedicated to online parameter estimation. Utilizing the EnSF's generative capabilities grounded in diffusion models, the United Filter iteratively fine-tunes both state and parameter estimates within a single temporal data assimilation step. Thanks to the robustness of the EnSF, the proposed method offers a promising solution for enhancing our comprehension and modeling of dynamical systems, as demonstrated by results from numerical experiments.

math.OC↗

Diffusion-Model-Assisted Supervised Learning of Generative Models for Density Estimation

We present a supervised learning framework of training generative models for density estimation. Generative models, including generative adversarial networks, normalizing flows, variational auto-encoders, are usually considered as unsupervised learning models, because labeled data are usually unavailable for training. Despite the success of the generative models, there are several issues with the unsupervised training, e.g., requirement of reversible architectures, vanishing gradients, and training instability. To enable supervised learning in generative models, we utilize the score-based diffusion model to generate labeled data. Unlike existing diffusion models that train neural networks to learn the score function, we develop a training-free score estimation method. This approach uses mini-batch-based Monte Carlo estimators to directly approximate the score function at any spatial-temporal location in solving an ordinary differential equation (ODE), corresponding to the reverse-time stochastic differential equation (SDE). This approach can offer both high accuracy and substantial time savings in neural network training. Once the labeled data are generated, we can train a simple fully connected neural network to learn the generative model in the supervised manner. Compared with existing normalizing flow models, our method does not require to use reversible neural networks and avoids the computation of the Jacobian matrix. Compared with existing diffusion models, our method does not need to solve the reverse-time SDE to generate new samples. As a result, the sampling efficiency is significantly improved. We demonstrate the performance of our method by applying it to a set of 2D datasets as well as real data from the UCI repository.

cs.LG↗

Practical Batch Bayesian Sampling Algorithms for Online Adaptive Traffic Experimentation

Online controlled experiments have emerged as industry gold standard for assessing new web features. As new web algorithms proliferate, experimentation platform faces an increasing demand on the velocity of online experiments, which encourages adaptive traffic testing methods to speed up identifying best variant by efficiently allocating traffic. This paper proposed four Bayesian batch bandit algorithms (NB-TS, WB-TS, NB-TTTS, WB-TTTS) for eBay's experimentation platform, using summary batch statistics of a goal metric without incurring new engineering technical debts. The novel WB-TTTS, in particular, demonstrates as an efficient, trustworthy and robust alternative to fixed horizon A/B testing. Another novel contribution is to bring trustworthiness of best arm identification algorithms into evaluation criterion and highlight the existence of severe false positive inflation with equivalent best arms. To gain the trust of experimenters, experimentation platform must consider both efficiency and trustworthiness; However, to the best of authors' knowledge, trustworthiness as an important topic is rarely discussed. This paper shows that Bayesian bandits without neutral posterior reshaping, particularly naive Thompson sampling (NB-TS), are untrustworthy because they can always identify an arm as the best from equivalent best arms. To restore trustworthiness, a novel finding uncovers connections between convergence distribution of posterior optimal probabilities of equivalent best arms and neutral posterior reshaping, which controls false positives. Lastly, this paper presents lessons learned from eBay's experience, as well as thorough evaluations. We hope this work is useful to other industrial practitioners and inspires academic researchers interested in the trustworthiness of adaptive traffic experimentation.

cs.LG↗

A Score-based Nonlinear Filter for Data Assimilation

We introduce a score-based generative sampling method for solving the nonlinear filtering problem with robust accuracy. A major drawback of existing nonlinear filtering methods, e.g., particle filters, is the low stability. To overcome this issue, we adopt the diffusion model framework to solve the nonlinear filtering problem. In stead of storing the information of the filtering density in finite number of Monte Carlo samples, in the score-based filter we store the information of the filtering density in the score model. Then, via the reverse-time diffusion sampler, we can generate unlimited samples to characterize the filtering density. Moreover, with the powerful expressive capabilities of deep neural networks, it has been demonstrated that a well trained score in diffusion model can produce samples from complex target distributions in very high dimensional spaces. Extensive numerical experiments show that our score-based filter could potentially address the curse of dimensionality in very high dimensional problems.

math.OC↗

Clustering-based Imputation for Dropout Buyers in Large-scale Online Experimentation

In online experimentation, appropriate metrics (e.g., purchase) provide strong evidence to support hypotheses and enhance the decision-making process. However, incomplete metrics are frequently occurred in the online experimentation, making the available data to be much fewer than the planned online experiments (e.g., A/B testing). In this work, we introduce the concept of dropout buyers and categorize users with incomplete metric values into two groups: visitors and dropout buyers. For the analysis of incomplete metrics, we propose a clustering-based imputation method using $k$-nearest neighbors. Our proposed imputation method considers both the experiment-specific features and users' activities along their shopping paths, allowing different imputation values for different users. To facilitate efficient imputation of large-scale data sets in online experimentation, the proposed method uses a combination of stratification and clustering. The performance of the proposed method is compared to several conventional methods in both simulation studies and a real online experiment at eBay.

cs.LG↗

Ensure A/B Test Quality at Scale with Automated Randomization Validation and Sample Ratio Mismatch Detection

eBay's experimentation platform runs hundreds of A/B tests on any given day. The platform integrates with the tracking infrastructure and customer experience servers, provides the sampling service for experiments, and has the responsibility to monitor the progress of each A/B test. There are many challenges especially when it is required to ensure experiment quality at the large scale. We discuss two automated test quality monitoring processes and methodologies, namely randomization validation using population stability index (PSI) and sample ratio mismatch (a.k.a. sample delta) detection using sequential analysis. The automated processes assist the experimentation platform to run high quality and trustworthy tests not only effectively on a large scale, but also efficiently by minimizing false positive monitoring alarms to experimenters.

stat.AP↗

Electron-irradiation-facilitated production of chemically homogenized nanotwins in nanolaminated carbides

Twin boundaries have been exploited to stabilize ultrafine grains and improve the mechanical properties of nanomaterials. The production of twin boundaries and nanotwins is however prohibitively challenging in carbide ceramics. Using scanning transmission electron microscopes as a unique platform for atomic-scale structure engineering, we demonstrate that twin platelets could be produced in carbides by engineering antisite defects. Antisite defects at metal sites in various layered ternary carbides are collectively and controllably generated and the metal elements are homogenized by electron irradiation, which transforms the twin-like lamellae into nanotwin platelets. Accompanying the chemical homogenization, α-Ti3AlC2 transforms to unconventional \b{eta}-Ti3AlC2. The chemical homogeneity and the width of the twin platelets can be tuned by the dose and energy of bombarding electrons. Chemically homogenized nanotwins can boost the hardness by ~45%. Our results provide a new way to produce ultrathin (<5 nm) nanotwin platelets in scientifically and technologically important carbide materials and showcase the feasibility of defect engineering by an angstrom-sized electron probe.

cond-mat.mtrl-sci↗

TransNet: Transferable Neural Networks for Partial Differential Equations

Transfer learning for partial differential equations (PDEs) is to develop a pre-trained neural network that can be used to solve a wide class of PDEs. Existing transfer learning approaches require much information of the target PDEs such as its formulation and/or data of its solution for pre-training. In this work, we propose to construct transferable neural feature spaces from purely function approximation perspectives without using PDE information. The construction of the feature space involves re-parameterization of the hidden neurons and uses auxiliary functions to tune the resulting feature space. Theoretical analysis shows the high quality of the produced feature space, i.e., uniformly distributed neurons. Extensive numerical experiments verify the outstanding performance of our method, including significantly improved transferability, e.g., using the same feature space for various PDEs with different domains and boundary conditions, and the superior accuracy, e.g., several orders of magnitude smaller mean squared error than the state of the art methods.

math.NA↗

Moving Metric Detection and Alerting System at eBay

At eBay, there are thousands of product health metrics for different domain teams to monitor. We built a two-phase alerting system to notify users with actionable alerts based on anomaly detection and alert retrieval. In the first phase, we developed an efficient anomaly detection algorithm, called Moving Metric Detector (MMD), to identify potential alerts among metrics with distribution agnostic criteria. In the second alert retrieval phase, we built additional logic with feedbacks to select valid actionable alerts with point-wise ranking model and business rules. Compared with other trend and seasonality decomposition methods, our decomposer is faster and better to detect anomalies in unsupervised cases. Our two-phase approach dramatically improves alert precision and avoids alert spamming in eBay production.

cs.CY↗

Wireless Image Transmission with Semantic and Security Awareness

Semantic communication is an increasingly popular framework for wireless image transmission due to its high communication efficiency. With the aid of the joint-source-and-channel (JSC) encoder implemented by neural network, semantic communication directly maps original images into symbol sequences containing semantic information. Compared with the traditional separate source and channel coding design used in bitlevel communication systems, semantic communication systems are known to be more efficient and accurate especially in the low signal-to-the-noise ratio (SNR) regime. This thus prompts an critical while yet to be tackled issue of security in semantic communication: it makes the eavesdropper more easier to crack the semantic information as it can be decoded even in a quite noisy channel. In this letter, we develop a semantic communication framework that accounts for both semantic meaning decoding efficiency and its risk of privacy leakage. To achieve this, targeting wireless image transmission, we on the one hand propose an JSC autoencoder featuring residual for efficient semantic meaning extraction and transmission, and on the other hand, propose a data-driven scheme that balances the efficiency-privacy tradeoff. Extensive experimental results are provided to show the effectiveness and robustness of the proposed scheme.

cs.IT↗