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Hyuntae Lim

Publications and source records attributed to Hyuntae Lim.

3 recordsLinked to original sources

Restricted Modulation Freedom Enhances Noise Robustness in Coherent Diffractive Optical Networks

In coherent diffractive optical networks, greater modulation freedom allows more flexible optimization for clean inputs, but its effect on noise robustness and its physical origin remain unclear. We derive an analytical framework that identifies the physical mechanism linking modulation freedom to noise robustness. To establish this connection, we compare a continuous DDNN (C-DDNN) with continuous amplitude and phase modulation and a binary-mask DDNN (BM-DDNN) with binary amplitude modulation. Trained only on clean MNIST data, the seven-layer BM-DDNN has 1.83 percentage points lower clean test accuracy but 32.82 percentage points higher noisy test accuracy under pixel-wise Gaussian noise. This robustness advantage cannot be explained by lower total noise-only intensity at the imaging plane: the BM-DDNN has 3.22 times the noise-only intensity but 8.64 times the clean-signal intensity of the C-DDNN, reducing noise contamination relative to the clean signal. We show that this difference arises from a clean-signal transmission bias generated by spatial correlations between the structured clean-signal field and learned modulation patterns. We quantify this mechanism with a cumulative transmission-bias factor K, linking modulation freedom to relative noise contamination and robustness. The C-DDNN exhibits a stronger suppressive bias (more negative K), whereas the BM-DDNN exhibits a weaker bias (less negative K^{\tilde}), yielding the consistent ordering K<K^{\tilde}. Because K requires only clean-data forward passes, it serves as a robustness screening metric before noisy-input simulations.

physics.optics

Reaction-Path Statistical Mechanics of Enzymatic Kinetics

We introduce a reaction-path statistical mechanics formalism based on the principle of large deviations to quantify the kinetics of single-molecule enzymatic reaction processes under the Michaelis-Menten mechanism, which exemplifies an out-of-equilibrium process in the living system. Our theoretical approach begins with the principle of equal a priori probabilities and defines the reaction path entropy to construct a new nonequilibrium ensemble as a collection of possible chemical reaction paths. As a result, we evaluate a variety of path-based partition functions and free energies using the formalism of statistical mechanics. They allow us to calculate the timescales of a given enzymatic reaction, even in the absence of an explicit boundary condition that is necessary for the equilibrium ensemble. We also consider the large deviation theory under a closed-boundary condition of the fixed observation time to quantify the enzyme-substrate unbinding rates. The result demonstrates the presence of a phase-separation-like, bimodal behavior in unbinding events at a finite timescale, and the behavior vanishes as its rate function converges to a single phase in the long-time limit.

cond-mat.stat-mech

MLSolv-A: A Novel Machine Learning-Based Prediction of Solvation Free Energies from Pairwise Atomistic Interactions

Recent advances in machine learning and their applications have lead to the development of diverse structure-property relationship models for crucial chemical properties, and the solvation free energy is one of them. Here, we introduce a novel ML-based solvation model, which calculates the solvation energy from pairwise atomistic interactions. The novelty of the proposed model consists of a simple architecture: two encoding functions extract atomic feature vectors from the given chemical structure, while the inner product between two atomistic features calculates their interactions. The results on 6,493 experimental measurements achieve outstanding performance and transferability for enlarging training data due to its solvent-non-specific nature. Analysis of the interaction map shows there is a great potential that our model reproduces group contributions on the solvation energy, which makes us believe that the model not only provides the predicted target property but also gives us more detailed physicochemical insights.

stat.ML