Search Results for author: Guang Lin

Found 55 papers, 13 papers with code

Robust Diffusion Models for Adversarial Purification

no code implementations24 Mar 2024 Guang Lin, Zerui Tao, Jianhai Zhang, Toshihisa Tanaka, Qibin Zhao

We propose a novel robust reverse process with adversarial guidance, which is independent of given pre-trained DMs and avoids retraining or fine-tuning the DMs.

Conformalized-DeepONet: A Distribution-Free Framework for Uncertainty Quantification in Deep Operator Networks

no code implementations23 Feb 2024 Christian Moya, Amirhossein Mollaali, Zecheng Zhang, Lu Lu, Guang Lin

In this paper, we adopt conformal prediction, a distribution-free uncertainty quantification (UQ) framework, to obtain confidence prediction intervals with coverage guarantees for Deep Operator Network (DeepONet) regression.

Conformal Prediction Prediction Intervals +2

Accelerating Approximate Thompson Sampling with Underdamped Langevin Monte Carlo

1 code implementation22 Jan 2024 Haoyang Zheng, Wei Deng, Christian Moya, Guang Lin

Approximate Thompson sampling with Langevin Monte Carlo broadens its reach from Gaussian posterior sampling to encompass more general smooth posteriors.

Thompson Sampling

Unbiasing Enhanced Sampling on a High-dimensional Free Energy Surface with Deep Generative Model

no code implementations14 Dec 2023 YiKai Liu, Tushar K. Ghosh, Guang Lin, Ming Chen

Biased enhanced sampling methods utilizing collective variables (CVs) are powerful tools for sampling conformational ensembles.

Density Estimation

Fair Supervised Learning with A Simple Random Sampler of Sensitive Attributes

1 code implementation10 Nov 2023 Jinwon Sohn, Qifan Song, Guang Lin

As the data-driven decision process becomes dominating for industrial applications, fairness-aware machine learning arouses great attention in various areas.

Fairness

D2NO: Efficient Handling of Heterogeneous Input Function Spaces with Distributed Deep Neural Operators

no code implementations29 Oct 2023 Zecheng Zhang, Christian Moya, Lu Lu, Guang Lin, Hayden Schaeffer

Neural operators have been applied in various scientific fields, such as solving parametric partial differential equations, dynamical systems with control, and inverse problems.

Backdiff: a diffusion model for generalized transferable protein backmapping

no code implementations3 Oct 2023 YiKai Liu, Ming Chen, Guang Lin

Despite recent progress in data-driven backmapping approaches, devising a backmapping method that can be universally applied across various CG models and proteins remains unresolved.

Drug Discovery Protein Design

An Element-wise RSAV Algorithm for Unconstrained Optimization Problems

no code implementations7 Sep 2023 Shiheng Zhang, Jiahao Zhang, Jie Shen, Guang Lin

We present a novel optimization algorithm, element-wise relaxed scalar auxiliary variable (E-RSAV), that satisfies an unconditional energy dissipation law and exhibits improved alignment between the modified and the original energy.

Energy-Dissipative Evolutionary Deep Operator Neural Networks

no code implementations9 Jun 2023 Jiahao Zhang, Shiheng Zhang, Jie Shen, Guang Lin

For an objective operator G, the Branch net encodes different input functions u at the same number of sensors, and the Trunk net evaluates the output function at any location.

Operator learning

HomPINNs: homotopy physics-informed neural networks for solving the inverse problems of nonlinear differential equations with multiple solutions

1 code implementation6 Apr 2023 Haoyang Zheng, Yao Huang, Ziyang Huang, Wenrui Hao, Guang Lin

Due to the complex behavior arising from non-uniqueness, symmetry, and bifurcations in the solution space, solving inverse problems of nonlinear differential equations (DEs) with multiple solutions is a challenging task.

NSGA-PINN: A Multi-Objective Optimization Method for Physics-Informed Neural Network Training

no code implementations3 Mar 2023 Binghang Lu, Christian B. Moya, Guang Lin

This paper presents NSGA-PINN, a multi-objective optimization framework for effective training of Physics-Informed Neural Networks (PINNs).

Non-reversible Parallel Tempering for Deep Posterior Approximation

no code implementations20 Nov 2022 Wei Deng, Qian Zhang, Qi Feng, Faming Liang, Guang Lin

Notably, in big data scenarios, we obtain an appealing communication cost $O(P\log P)$ based on the optimal window size.

DeepGraphONet: A Deep Graph Operator Network to Learn and Zero-shot Transfer the Dynamic Response of Networked Systems

no code implementations21 Sep 2022 Yixuan Sun, Christian Moya, Guang Lin, Meng Yue

This paper develops a Deep Graph Operator Network (DeepGraphONet) framework that learns to approximate the dynamics of a complex system (e. g. the power grid or traffic) with an underlying sub-graph structure.

Zero-Shot Learning

Efficient Chemical Space Exploration Using Active Learning Based on Marginalized Graph Kernel: an Application for Predicting the Thermodynamic Properties of Alkanes with Molecular Simulation

1 code implementation1 Sep 2022 Yan Xiang, Yu-Hang Tang, Zheng Gong, Hongyi Liu, Liang Wu, Guang Lin, Huai Sun

We introduce an explorative active learning (AL) algorithm based on Gaussian process regression and marginalized graph kernel (GPR-MGK) to explore chemical space with minimum cost.

Active Learning GPR +2

AMS-Net: Adaptive Multiscale Sparse Neural Network with Interpretable Basis Expansion for Multiphase Flow Problems

no code implementations24 Jul 2022 Yating Wang, Wing Tat Leung, Guang Lin

In this work, we propose an adaptive sparse learning algorithm that can be applied to learn the physical processes and obtain a sparse representation of the solution given a large snapshot space.

Sparse Learning

Federated X-Armed Bandit

1 code implementation30 May 2022 Wenjie Li, Qifan Song, Jean Honorio, Guang Lin

This work establishes the first framework of federated $\mathcal{X}$-armed bandit, where different clients face heterogeneous local objective functions defined on the same domain and are required to collaboratively figure out the global optimum.

RMFGP: Rotated Multi-fidelity Gaussian process with Dimension Reduction for High-dimensional Uncertainty Quantification

no code implementations11 Apr 2022 Jiahao Zhang, Shiqi Zhang, Guang Lin

This paper proposes a new dimension reduction framework based on rotated multi-fidelity Gaussian process regression and a Bayesian active learning scheme when the available precise observations are insufficient.

Active Learning Dimensionality Reduction +2

Federated Online Sparse Decision Making

no code implementations27 Feb 2022 Chi-Hua Wang, Wenjie Li, Guang Cheng, Guang Lin

This paper presents a novel federated linear contextual bandits model, where individual clients face different K-armed stochastic bandits with high-dimensional decision context and coupled through common global parameters.

Decision Making Multi-Armed Bandits

Interacting Contour Stochastic Gradient Langevin Dynamics

1 code implementation ICLR 2022 Wei Deng, Siqi Liang, Botao Hao, Guang Lin, Faming Liang

We propose an interacting contour stochastic gradient Langevin dynamics (ICSGLD) sampler, an embarrassingly parallel multiple-chain contour stochastic gradient Langevin dynamics (CSGLD) sampler with efficient interactions.

glassoformer: a query-sparse transformer for post-fault power grid voltage prediction

no code implementations22 Jan 2022 Yunling Zheng, Carson Hu, Guang Lin, Meng Yue, Bao Wang, Jack Xin

Due to the sparsified queries, GLassoformer is more computationally efficient than the standard transformers.

On Convergence of Federated Averaging Langevin Dynamics

no code implementations9 Dec 2021 Wei Deng, Qian Zhang, Yi-An Ma, Zhao Song, Guang Lin

We develop theoretical guarantees for FA-LD for strongly log-concave distributions with non-i. i. d data and study how the injected noise and the stochastic-gradient noise, the heterogeneity of data, and the varying learning rates affect the convergence.

Uncertainty Quantification

Deformation Robust Roto-Scale-Translation Equivariant CNNs

no code implementations22 Nov 2021 Liyao Gao, Guang Lin, Wei Zhu

Incorporating group symmetry directly into the learning process has proved to be an effective guideline for model design.

Out-of-Distribution Generalization Translation

Accelerated replica exchange stochastic gradient Langevin diffusion enhanced Bayesian DeepONet for solving noisy parametric PDEs

no code implementations3 Nov 2021 Guang Lin, Christian Moya, Zecheng Zhang

To enable DeepONets training with noisy data, we propose using the Bayesian framework of replica-exchange Langevin diffusion.

Non-reversible Parallel Tempering for Uncertainty Approximation in Deep Learning

no code implementations29 Sep 2021 Wei Deng, Qian Zhang, Qi Feng, Faming Liang, Guang Lin

Parallel tempering (PT), also known as replica exchange, is the go-to workhorse for simulations of multi-modal distributions.

PCNN: A physics-constrained neural network for multiphase flows

no code implementations18 Sep 2021 Haoyang Zheng, Ziyang Huang, Guang Lin

To predict the order parameters, which locate individual phases in the future time, a neural network (NN) is applied to quickly infer the dynamics of the phases by encoding observations.

Unity

DAE-PINN: A Physics-Informed Neural Network Model for Simulating Differential-Algebraic Equations with Application to Power Networks

no code implementations9 Sep 2021 Christian Moya, Guang Lin

Deep learning-based surrogate modeling is becoming a promising approach for learning and simulating dynamical systems.

Bayesian data-driven discovery of partial differential equations with variable coefficients

no code implementations2 Feb 2021 Aoxue Chen, Yifan Du, Liyao Mars Gao, Guang Lin

In this work, we propose an advanced Bayesian sparse learning algorithm for PDE discovery with variable coefficients, predominantly when the coefficients are spatially or temporally dependent.

Bayesian Inference Model Selection +3

A consistent and conservative model and its scheme for $N$-phase-$M$-component incompressible flows

no code implementations12 Jan 2021 Ziyang Huang, Guang Lin, Arezoo M. Ardekani

Numerical tests indicate that the proposed model and scheme are effective and robust to study various challenging multiphase and multicomponent flows.

Computational Physics Numerical Analysis Numerical Analysis Fluid Dynamics

BCGGAN: Ballistocardiogram artifact removal in simultaneous EEG-fMRI using generative adversarial network

no code implementations3 Nov 2020 Guang Lin, Jianhai Zhang, Yuxi Liu, Tianyang Gao, Wanzeng Kong, Xu Lei, Tao Qiu

Due to its advantages of high temporal and spatial resolution, the technology of simultaneous electroencephalogram-functional magnetic resonance imaging (EEG-fMRI) acquisition and analysis has attracted much attention, and has been widely used in various research fields of brain science.

EEG Generative Adversarial Network

A Contour Stochastic Gradient Langevin Dynamics Algorithm for Simulations of Multi-modal Distributions

2 code implementations NeurIPS 2020 Wei Deng, Guang Lin, Faming Liang

We propose an adaptively weighted stochastic gradient Langevin dynamics algorithm (SGLD), so-called contour stochastic gradient Langevin dynamics (CSGLD), for Bayesian learning in big data statistics.

Predicting Mechanical Properties from Microstructure Images in Fiber-reinforced Polymers using Convolutional Neural Networks

1 code implementation7 Oct 2020 Yixuan Sun, Imad Hanhan, Michael D. Sangid, Guang Lin

Evaluating the mechanical response of fiber-reinforced composites can be extremely time consuming and expensive.

Spatial Damage Characterization in Self-Sensing Materials via Neural Network-Aided Electrical Impedance Tomography: A Computational Study

no code implementations4 Oct 2020 Lang Zhao, Tyler Tallman, Guang Lin

These results are an important first step in translating the combination of self-sensing materials and EIT to real-world SHM and NDE.

An adaptive Hessian approximated stochastic gradient MCMC method

no code implementations3 Oct 2020 Yating Wang, Wei Deng, Guang Lin

The bias introduced by stochastic approximation is controllable and can be analyzed theoretically.

Accelerating Convergence of Replica Exchange Stochastic Gradient MCMC via Variance Reduction

1 code implementation ICLR 2021 Wei Deng, Qi Feng, Georgios Karagiannis, Guang Lin, Faming Liang

Replica exchange stochastic gradient Langevin dynamics (reSGLD) has shown promise in accelerating the convergence in non-convex learning; however, an excessively large correction for avoiding biases from noisy energy estimators has limited the potential of the acceleration.

Augmented Gaussian Random Field: Theory and Computation

no code implementations3 Sep 2020 Sheng Zhang, Xiu Yang, Samy Tindel, Guang Lin

We prove that under certain conditions, the observable and its derivatives of any order are governed by a single Gaussian random field, which is the aforementioned AGRF.

Statistics Theory Probability Statistics Theory

Non-convex Learning via Replica Exchange Stochastic Gradient MCMC

2 code implementations ICML 2020 Wei Deng, Qi Feng, Liyao Gao, Faming Liang, Guang Lin

Replica exchange Monte Carlo (reMC), also known as parallel tempering, is an important technique for accelerating the convergence of the conventional Markov Chain Monte Carlo (MCMC) algorithms.

Ranked #77 on Image Classification on CIFAR-100 (using extra training data)

Image Classification

Multifidelity Data Fusion via Gradient-Enhanced Gaussian Process Regression

no code implementations3 Aug 2020 Yixiang Deng, Guang Lin, Xiu Yang

We compare this method with the conventional multi-fidelity Cokriging method that does not use gradients information, and the result suggests that GE-Cokriging has a better performance in predicting both QoI and its gradients.

GPR regression

Peri-Net-Pro: The neural processes with quantified uncertainty for crack patterns

no code implementations23 May 2020 Moonseop Kim, Guang Lin

Case studies were performed to classify the images using CNNs and determine the PMB, LBS, and VES models' suitability.

Image Classification regression

Multi-Fidelity Gaussian Process based Empirical Potential Development for Si:H Nanowires

no code implementations11 May 2020 Moonseop Kim, Huayi Yin, Guang Lin

In material modeling, the calculation speed using the empirical potentials is fast compared to the first principle calculations, but the results are not as accurate as of the first principle calculations.

DeepLight: Deep Lightweight Feature Interactions for Accelerating CTR Predictions in Ad Serving

2 code implementations17 Feb 2020 Wei Deng, Junwei Pan, Tian Zhou, Deguang Kong, Aaron Flores, Guang Lin

To address the issue of significantly increased serving delay and high memory usage for ad serving in production, this paper presents \emph{DeepLight}: a framework to accelerate the CTR predictions in three aspects: 1) accelerate the model inference via explicitly searching informative feature interactions in the shallow component; 2) prune redundant layers and parameters at intra-layer and inter-layer level in the DNN component; 3) promote the sparsity of the embedding layer to preserve the most discriminant signals.

Click-Through Rate Prediction

An Adaptive Empirical Bayesian Method for Sparse Deep Learning

1 code implementation NeurIPS 2019 Wei Deng, Xiao Zhang, Faming Liang, Guang Lin

We propose a novel adaptive empirical Bayesian method for sparse deep learning, where the sparsity is ensured via a class of self-adaptive spike-and-slab priors.

Efficient Deep Learning Techniques for Multiphase Flow Simulation in Heterogeneous Porous Media

1 code implementation22 Jul 2019 Yating Wang, Guang Lin

In particular, for the flow problem, we design a network with convolutional and locally connected layers to perform model reductions.

Numerical Analysis Numerical Analysis

SubTSBR to tackle high noise and outliers for data-driven discovery of differential equations

no code implementations17 Jul 2019 Sheng Zhang, Guang Lin

We demonstrate how to use our algorithm step by step and compare our algorithm with threshold sparse Bayesian regression (TSBR) for the discovery of differential equations.

Bayesian Inference regression

Bayesian inverse regression for dimension reduction with small datasets

no code implementations19 Jun 2019 Xin Cai, Guang Lin, Jinglai Li

We consider supervised dimension reduction problems, namely to identify a low dimensional projection of the predictors $\-x$ which can retain the statistical relationship between $\-x$ and the response variable $y$.

Dimensionality Reduction regression +1

Latent Transformations for Object View Points Synthesis

no code implementations12 Jul 2018 Sangpil Kim, Nick Winovich, Guang Lin, Karthik Ramani

We propose a fully-convolutional conditional generative model, the latent transformation neural network (LTNN), capable of view synthesis using a light-weight neural network suited for real-time applications.

Object

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