Search Results for author: Guan-Horng Liu

Found 16 papers, 9 papers with code

React-OT: Optimal Transport for Generating Transition State in Chemical Reactions

no code implementations20 Apr 2024 Chenru Duan, Guan-Horng Liu, Yuanqi Du, Tianrong Chen, Qiyuan Zhao, Haojun Jia, Carla P. Gomes, Evangelos A. Theodorou, Heather J. Kulik

The RMSD and barrier height error is further improved by roughly 25% through pretraining React-OT on a large reaction dataset obtained with a lower level of theory, GFN2-xTB.

Augmented Bridge Matching

no code implementations12 Nov 2023 Valentin De Bortoli, Guan-Horng Liu, Tianrong Chen, Evangelos A. Theodorou, Weilie Nie

In this paper, we highlight that while flow and bridge matching processes preserve the information of the marginal distributions, they do \emph{not} necessarily preserve the coupling information unless additional, stronger optimality conditions are met.

Generalized Schrödinger Bridge Matching

1 code implementation3 Oct 2023 Guan-Horng Liu, Yaron Lipman, Maximilian Nickel, Brian Karrer, Evangelos A. Theodorou, Ricky T. Q. Chen

Modern distribution matching algorithms for training diffusion or flow models directly prescribe the time evolution of the marginal distributions between two boundary distributions.

Mirror Diffusion Models for Constrained and Watermarked Generation

1 code implementation NeurIPS 2023 Guan-Horng Liu, Tianrong Chen, Evangelos A. Theodorou, Molei Tao

In this work, we propose Mirror Diffusion Models (MDM), a new class of diffusion models that generate data on convex constrained sets without losing any tractability.

Improving Generative Model-based Unfolding with Schrödinger Bridges

1 code implementation23 Aug 2023 Sascha Diefenbacher, Guan-Horng Liu, Vinicius Mikuni, Benjamin Nachman, Weili Nie

Machine learning-based unfolding has enabled unbinned and high-dimensional differential cross section measurements.

Improved sampling via learned diffusions

1 code implementation3 Jul 2023 Lorenz Richter, Julius Berner, Guan-Horng Liu

Recently, a series of papers proposed deep learning-based approaches to sample from unnormalized target densities using controlled diffusion processes.

I$^2$SB: Image-to-Image Schrödinger Bridge

1 code implementation12 Feb 2023 Guan-Horng Liu, Arash Vahdat, De-An Huang, Evangelos A. Theodorou, Weili Nie, Anima Anandkumar

We propose Image-to-Image Schr\"odinger Bridge (I$^2$SB), a new class of conditional diffusion models that directly learn the nonlinear diffusion processes between two given distributions.

Deblurring Image Restoration +1

Deep Generalized Schrödinger Bridge

1 code implementation20 Sep 2022 Guan-Horng Liu, Tianrong Chen, Oswin So, Evangelos A. Theodorou

In this work, we aim at solving a challenging class of MFGs in which the differentiability of these interacting preferences may not be available to the solver, and the population is urged to converge exactly to some desired distribution.

Likelihood Training of Schrödinger Bridge using Forward-Backward SDEs Theory

1 code implementation ICLR 2022 Tianrong Chen, Guan-Horng Liu, Evangelos A. Theodorou

However, it remains unclear whether the optimization principle of SB relates to the modern training of deep generative models, which often rely on constructing log-likelihood objectives. This raises questions on the suitability of SB models as a principled alternative for generative applications.

Image Generation

Second-Order Neural ODE Optimizer

1 code implementation NeurIPS 2021 Guan-Horng Liu, Tianrong Chen, Evangelos A. Theodorou

We propose a novel second-order optimization framework for training the emerging deep continuous-time models, specifically the Neural Ordinary Differential Equations (Neural ODEs).

Image Classification Second-order methods +2

Dynamic Game Theoretic Neural Optimizer

no code implementations8 May 2021 Guan-Horng Liu, Tianrong Chen, Evangelos A. Theodorou

The connection between training deep neural networks (DNNs) and optimal control theory (OCT) has attracted considerable attention as a principled tool of algorithmic design.

Image Classification

Variational Inference MPC using Tsallis Divergence

no code implementations1 Apr 2021 Ziyi Wang, Oswin So, Jason Gibson, Bogdan Vlahov, Manan S. Gandhi, Guan-Horng Liu, Evangelos A. Theodorou

In this paper, we provide a generalized framework for Variational Inference-Stochastic Optimal Control by using thenon-extensive Tsallis divergence.

Model Predictive Control Variational Inference

A Differential Game Theoretic Neural Optimizer for Training Residual Networks

no code implementations17 Jul 2020 Guan-Horng Liu, Tianrong Chen, Evangelos A. Theodorou

Connections between Deep Neural Networks (DNNs) training and optimal control theory has attracted considerable attention as a principled tool of algorithmic design.

Image Classification

DDPNOpt: Differential Dynamic Programming Neural Optimizer

no code implementations ICLR 2021 Guan-Horng Liu, Tianrong Chen, Evangelos A. Theodorou

Interpretation of Deep Neural Networks (DNNs) training as an optimal control problem with nonlinear dynamical systems has received considerable attention recently, yet the algorithmic development remains relatively limited.

Second-order methods

Deep Learning Theory Review: An Optimal Control and Dynamical Systems Perspective

1 code implementation28 Aug 2019 Guan-Horng Liu, Evangelos A. Theodorou

In this article, we provide one possible way to align existing branches of deep learning theory through the lens of dynamical system and optimal control.

Learning Theory Meta-Learning

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