Youngkyoung Bae

Youngkyoung Bae, Seungwoong Ha, Hawoong Jeong

Pervasive across diverse domains, stochastic systems exhibit fluctuations in processes ranging from molecular dynamics to climate phenomena. The Langevin equation has served as a common mathematical model for studying such systems, enabling predictions of their temporal evolution and analyses of thermodynamic quantities, including absorbed heat, work done on the system, and entropy production. However, inferring the Langevin equation from observed trajectories is a challenging problem, and assessing the uncertainty associated with the inferred equation has yet to be accomplished. In this study, we present a comprehensive framework that employs Bayesian neural networks for inferring Langevin equations in both overdamped and underdamped regimes. Our framework first provides the drift force and diffusion matrix separately and then combines them to construct the Langevin equation. By providing a distribution of predictions instead of a single value, our approach allows us to assess prediction uncertainties, which can help prevent potential misunderstandings and erroneous decisions about the system. We demonstrate the effectiveness of our framework in inferring Langevin equations for various scenarios including a neuron model and microscopic engine, highlighting its versatility and potential impact.

Youngkyoung Bae, Yeongwoo Song, Hawoong Jeong

Giving up and starting over may seem wasteful in many situations such as searching for a target or training deep neural networks (DNNs). Our study, though, demonstrates that resetting from a checkpoint can significantly improve generalization performance when training DNNs with noisy labels. In the presence of noisy labels, DNNs initially learn the general patterns of the data but then gradually memorize the corrupted data, leading to overfitting. By deconstructing the dynamics of stochastic gradient descent (SGD), we identify the behavior of a latent gradient bias induced by noisy labels, which harms generalization. To mitigate this negative effect, we apply the stochastic resetting method to SGD, inspired by recent developments in the field of statistical physics achieving efficient target searches. We first theoretically identify the conditions where resetting becomes beneficial, and then we empirically validate our theory, confirming the significant improvements achieved by resetting. We further demonstrate that our method is both easy to implement and compatible with other methods for handling noisy labels. Additionally, this work offers insights into the learning dynamics of DNNs from an interpretability perspective, expanding the potential to analyze training methods through the lens of statistical physics.

Youngkyoung Bae, Dong-Kyum Kim, Hawoong Jeong

Quantifying entropy production (EP) is essential to understand stochastic systems at mesoscopic scales, such as living organisms or biological assemblies. However, without tracking the relevant variables, it is challenging to figure out where and to what extent EP occurs from recorded time-series image data from experiments. Here, applying a convolutional neural network (CNN), a powerful tool for image processing, we develop an estimation method for EP through an unsupervised learning algorithm that calculates only from movies. Together with an attention map of the CNN's last layer, our method can not only quantify stochastic EP but also produce the spatiotemporal pattern of the EP (dissipation map). We show that our method accurately measures the EP and creates a dissipation map in two nonequilibrium systems, the bead-spring model and a network of elastic filaments. We further confirm high performance even with noisy, low spatial resolution data, and partially observed situations. Our method will provide a practical way to obtain dissipation maps and ultimately contribute to uncovering the nonequilibrium nature of complex systems.

Dong-Kyum Kim, Youngkyoung Bae, Sangyun Lee et al.

This Letter presents a neural estimator for entropy production, or NEEP, that estimates entropy production (EP) from trajectories of relevant variables without detailed information on the system dynamics. For steady state, we rigorously prove that the estimator, which can be built up from different choices of deep neural networks, provides stochastic EP by optimizing the objective function proposed here. We verify the NEEP with the stochastic processes of the bead-spring and discrete flashing ratchet models, and also demonstrate that our method is applicable to high-dimensional data and can provide coarse-grained EP for Markov systems with unobservable states.