Search Results for author: Tianrong Chen

Found 17 papers, 4 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.

Quantum State Generation with Structure-Preserving Diffusion Model

no code implementations9 Apr 2024 Yuchen Zhu, Tianrong Chen, Evangelos A. Theodorou, Xie Chen, Molei Tao

This article considers the generative modeling of the states of quantum systems, and an approach based on denoising diffusion model is proposed.

Denoising

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.

Generative Modeling with Phase Stochastic Bridges

no code implementations11 Oct 2023 Tianrong Chen, Jiatao Gu, Laurent Dinh, Evangelos A. Theodorou, Josh Susskind, Shuangfei Zhai

In this work, we introduce a novel generative modeling framework grounded in \textbf{phase space dynamics}, where a phase space is defined as {an augmented space encompassing both position and velocity.}

Image Generation Position

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.

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.

Deep Graphic FBSDEs for Opinion Dynamics Stochastic Control

no code implementations5 Apr 2022 Tianrong Chen, Ziyi Wang, Evangelos A. Theodorou

Our approach relies on the probabilistic representation of the solution of the Hamilton-Jacobi-Bellman partial differential equation.

LEMMA

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

Large-Scale Multi-Agent Deep FBSDEs

no code implementations21 Nov 2020 Tianrong Chen, Ziyi Wang, Ioannis Exarchos, Evangelos A. Theodorou

We showcase superior performance of our framework over the state-of-the-art deep fictitious play algorithm on an inter-bank lending/borrowing problem in terms of multiple metrics.

Decision Making

Multi-agent Deep FBSDE Representation For Large Scale Stochastic Differential Games

no code implementations28 Sep 2020 Tianrong Chen, Ziyi Wang, Ioannis Exarchos, Evangelos Theodorou

In this paper we present a deep learning framework for solving large-scale multi-agent non-cooperative stochastic games using fictitious play.

Decision Making

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

Feynman-Kac Neural Network Architectures for Stochastic Control Using Second-Order FBSDE Theory

no code implementations L4DC 2020 Marcus Pereira, Ziyi Wang, Tianrong Chen, Emily Reed, Evangelos Theodorou

We present a deep recurrent neural network architecture to solve a class of stochastic optimal control problems described by fully nonlinear Hamilton Jacobi Bellman partial differential equations.

LEMMA

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 Nonlinear Stochastic Optimal Control for Systems with Multiplicative Uncertainties

no code implementations25 Sep 2019 Marcus Pereira, Ziyi Wang, Tianrong Chen, Evangelos Theodorou

We present a deep recurrent neural network architecture to solve a class of stochastic optimal control problems described by fully nonlinear Hamilton Jacobi Bellman partial differential equations.

LEMMA

Deep 2FBSDEs For Systems With Control Multiplicative Noise

no code implementations11 Jun 2019 Marcus A. Pereira, Ziyi Wang, Tianrong Chen, Emily Reed, Evangelos A. Theodorou

We present a deep recurrent neural network architecture to solve a class of stochastic optimal control problems described by fully nonlinear Hamilton Jacobi Bellmanpartial differential equations.

LEMMA

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