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Seunghoon Lee

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Computer Vision physics.chem-ph Artificial Intelligence Computational Complexity cond-mat.str-el eess.SP Machine Learning quant-ph

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preprint2026arXiv

A Comparative Study of Machine Learning and Deep Learning for Out-of-Distribution Detection

Out-of-distribution (OOD) detection is essential for building reliable AI systems, as models that produce outputs for invalid inputs cannot be trusted. Although deep learning (DL) is often assumed to outperform traditional machine learning (ML), medical imaging data are typically acquired under standardized protocols, leading to relatively constrained image variability in OOD detection tasks. This motivates a direct comparison between ML and DL approaches in this setting. The two approaches are evaluated on open datasets comprising over 60,000 fundus and non-fundus images across multiple resolutions. Both approaches achieved an AUROC of 1.000 and accuracies between 0.999 and 1.000 on internal and external validation sets, showing comparable detection performance. The ML approach, however, exhibited substantially lower end-to-end latency while maintaining equivalent accuracy, indicating greater computational efficiency. These results suggest that for OOD detection tasks of limited visual complexity, lightweight ML approaches can achieve DL-level performance with significantly reduced computational cost, supporting practical real-world deployment.

preprint2026arXiv

Classical solution of the FeMo-cofactor model to chemical accuracy and its implications

The main source of reduced nitrogen for living things comes from nitrogenase, which converts N2 to NH3 at the FeMo-cofactor (FeMo-co). Because of its role in supporting life, the uncertainty surrounding the catalytic cycle, and its compositional richness with eight transition metal ions, FeMo-co has fascinated scientists for decades. After much effort, the complete atomic structure was resolved. However, its electronic structure, central to reactivity, remains under intense debate. FeMo-co's complexity, arising from many unpaired electrons, has led to suggestions that it lies beyond the reach of classical computing. Consequently, there has been much interest in the potential of quantum algorithms to compute its electronic structure. Estimating the cost to compute the ground-state to chemical accuracy (~1 kcal/mol) within one or more FeMo-co models is a common benchmark of quantum algorithms in quantum chemistry, with numerous resource estimates in the literature. Here we address how to perform the same task using classical computation. We use a 76 orbital/152 qubit resting state model, the subject of most quantum resource estimates. Based on insight into the multiple configuration nature of the states, we devise classical protocols that yield rigorous or empirical upper bounds to the ground-state energy. Extrapolating these we predict the ground-state energy with an estimated uncertainty on the order of chemical accuracy. Having performed this long-discussed computational task, we next consider implications beyond the model. We distill a simpler computational procedure which we apply to reveal the electronic landscape in realistic representations of the cofactor. We thus illustrate a path to a precise computational understanding of FeMo-co electronic structure.

preprint2022arXiv

Unsupervised Video Object Segmentation via Prototype Memory Network

Unsupervised video object segmentation aims to segment a target object in the video without a ground truth mask in the initial frame. This challenging task requires extracting features for the most salient common objects within a video sequence. This difficulty can be solved by using motion information such as optical flow, but using only the information between adjacent frames results in poor connectivity between distant frames and poor performance. To solve this problem, we propose a novel prototype memory network architecture. The proposed model effectively extracts the RGB and motion information by extracting superpixel-based component prototypes from the input RGB images and optical flow maps. In addition, the model scores the usefulness of the component prototypes in each frame based on a self-learning algorithm and adaptively stores the most useful prototypes in memory and discards obsolete prototypes. We use the prototypes in the memory bank to predict the next query frames mask, which enhances the association between distant frames to help with accurate mask prediction. Our method is evaluated on three datasets, achieving state-of-the-art performance. We prove the effectiveness of the proposed model with various ablation studies.

preprint2021arXiv

Externally corrected CCSD with renormalized perturbative triples (R-ecCCSD(T)) and density matrix renormalization group and selected configuration interaction external sources

We investigate the renormalized perturbative triples correction together with the externally corrected coupled-cluster singles and doubles (ecCCSD) method. We take the density matrix renormalization group (DMRG) and heatbath CI (HCI) as external sources for the ecCCSD equations. The accuracy is assessed for the potential energy surfaces of H2O, N2, and F2. We find that the triples correction significantly improves on ecCCSD and we do not see any instability of the renormalized triples with respect to dissociation. We explore how to balance the cost of computing the external source amplitudes with respect to the accuracy of the subsequent CC calculation. In this context, we find that very approximate wavefunctions (and their large amplitudes) serve as an efficient and accurate external source. Finally, we characterize the domain of correlation treatable using the externally corrected method and renormalized triples combination studied in this work via a well-known wavefunction diagnostic.

preprint2020arXiv

Bayesian Federated Learning over Wireless Networks

Federated learning is a privacy-preserving and distributed training method using heterogeneous data sets stored at local devices. Federated learning over wireless networks requires aggregating locally computed gradients at a server where the mobile devices send statistically distinct gradient information over heterogenous communication links. This paper proposes a Bayesian federated learning (BFL) algorithm to aggregate the heterogeneous quantized gradient information optimally in the sense of minimizing the mean-squared error (MSE). The idea of BFL is to aggregate the one-bit quantized local gradients at the server by jointly exploiting i) the prior distributions of the local gradients, ii) the gradient quantizer function, and iii) channel distributions. Implementing BFL requires high communication and computational costs as the number of mobile devices increases. To address this challenge, we also present an efficient modified BFL algorithm called scalable-BFL (SBFL). In SBFL, we assume a simplified distribution on the local gradient. Each mobile device sends its one-bit quantized local gradient together with two scalar parameters representing this distribution. The server then aggregates the noisy and faded quantized gradients to minimize the MSE. We provide a convergence analysis of SBFL for a class of non-convex loss functions. Our analysis elucidates how the parameters of communication channels and the gradient priors affect convergence. From simulations, we demonstrate that SBFL considerably outperforms the conventional sign stochastic gradient descent algorithm when training and testing neural networks using MNIST data sets over heterogeneous wireless networks.

preprint2016arXiv

A Short Note on Improved Logic Circuits in a Hexagonal Minesweeper

This paper aims to present an advanced version of PP-hardness proof of Minesweeper by Bondt. The advancement includes improved Minesweeper configurations for 'logic circuits' in a hexagonal Minesweeper. To do so, I demonstrate logical uncertainty in Minesweeper, which ironically allows a possibility to make some Boolean operators. The fact that existing hexagonal logic circuits did not clearly distinguish the true and false signal needs an improved form of a hexagonal wire. I introduce new forms of logic circuits such as NOT, AND, OR gates, a curve and a splitter of wires. Moreover, these new logic circuits complement Bondt's proof for PP-hardness of Minesweeper by giving a new figure.