arXiv subjects

Hyungjun Kim

Publications and source records attributed to Hyungjun Kim.

At least 19 recordsLinked to original sources

arXiv2026

Dimensional Control of Excitonic Interactions in Exfoliated 2D Molecular Crystals

Two-dimensional (2D) materials provide unique opportunities to tailor excited-state properties through reduced dimensionality, altered dielectric screening and layer-dependent structural reconstruction. While such effects have been widely explored in norganic systems, their realization in molecular crystals has been limited by the difficulty of controlling thickness at the atomic scale while preserving crystalline order. Here we show that tetracene and three other molecular crystals can be mechanically exfoliated into mono-, few- or multilayer flakes, while retaining crystalline order. This capability enables new studies of molecular crystals across a well defined thickness range within the same structural organization. Thickness-dependent spectra of these samples reveal how out-of-plane confinement modifies the excited-state energy landscape of tetracene: With decreasing thickness, the Davydov splitting diminishes, the Stokes shift increases, and signatures of more delocalized excitons emerge. Electron diffraction and exciton model-based analyses correlate these trends to changes in molecular packing, intermolecular coupling and dielectric screening. Our results also demonstrate that key features of molecular excitons can be systematically tuned by layer number, extending dimensional control from inorganic 2D materials to molecular crystals.

cond-mat.mtrl-sci↗

arXiv2026

Giant Nonequilibrium Fluctuations at a Reactive Surface

We investigate whether giant fluctuations in a gas can induce corresponding fluctuations on a reactive surface in contact with the gas. Numerical simulations of a minimal heterogeneous catalytic reactor demonstrate that such fluctuations indeed emerge on the surface, with spatial correlations extending over micrometer scales. These fluctuations originate from the dependence of the adsorption rate on the reactant partial pressure. As a result, the surface-coverage structure factor mirrors that of the partial pressure, exhibiting similar enhancement and roll-off behavior across wave numbers.

physics.chem-ph↗

arXiv2026

High-fidelity Modeling of Full-scale Pressurized Water Reactor Flow Fields for Machine Learning Applications

This work presents a high-fidelity computational fluid dynamics (CFD) and data-driven modeling framework for assembly-level flow characterization in a four-loop pressurized water reactor (PWR). A full lower-plenum and core-inlet domain was constructed using publicly available geometry and operating conditions, enabling transient simulations with pump-induced swirl boundary conditions. The results show that cold-leg swirl and lower-plenum transport generate strongly heterogeneous assembly-wise inlet flow distributions, particularly near the lower core region, while axial resistance and mixing progressively homogenize the flow at higher elevations. These physics-informed datasets were subsequently used to evaluate machine learning (ML) applications for partial field reconstruction and short-term autoregressive prediction. A 3D convolutional-based inpainting model successfully recon-structed missing assembly-level mass flow rates from partial observations, with errors concentrated in the highly turbulent base (bottom) layer and diminishing significantly in upper layers. Comparative analysis across multiple ML models demon-strates that spatially aware architectures, particularly ConvLSTM, significantly outperform sequence-based (LSTM) and operator-learning (DeepONet) approaches by effectively capturing coupled spatio-temporal dynamics. The study also high-lights key challenges, including the sensitivity of inlet flow predictions to turbulence and mesh resolution, as well as the absence of full-scale experimental validation data. Despite these limitations, the results remain consistent with expected physical behavior. Overall, this work establishes high-fidelity CFD as a critical foundation for developing data-driven surrogates, sparse sensing strategies, and future multiphysics coupling frameworks.

cs.LG↗

arXiv2025

Thermodynamically Consistent Incorporation of the Langmuir Adsorption Model into Compressible Fluctuating Hydrodynamics

For a gas-solid interfacial system where chemical species undergo reversible adsorption, we develop a mesoscopic stochastic modeling method that simulates both gas-phase hydrodynamics and surface coverage dynamics by coupling the Langmuir adsorption model with compressible fluctuating hydrodynamics. To this end, we derive a thermodynamically consistent mass-energy update scheme that accounts for how the mass and energy variables in the gas and surface subsystems should be updated according to the changes in the number of molecules of each species in each subsystem due to adsorption and desorption events. By performing a stochastic analysis for the ideal Langmuir model and the full hydrodynamic system, we analytically confirm that our mass-energy update scheme captures thermodynamic equilibrium predicted by equilibrium statistical mechanics. We find that an internal energy correction term is needed, which is attributed to the difference in the mean kinetic energy of gas molecules colliding with the surface from that computed from the Maxwell-Boltzmann distribution. By performing an equilibrium simulation study for an ideal gas mixture of CO and Ar with CO undergoing reversible adsorption, we validate our overall simulation method and implementation.

physics.chem-ph↗

arXiv2025

Modernizing CNN-based Weather Forecast Model towards Higher Computational Efficiency

Recently, AI-based weather forecast models have achieved impressive advances. These models have reached accuracy levels comparable to traditional NWP systems, marking a significant milestone in data-driven weather prediction. However, they mostly leverage Transformer-based architectures, which often leads to high training complexity and resource demands due to the massive parameter sizes. In this study, we introduce a modernized CNN-based model for global weather forecasting that delivers competitive accuracy while significantly reducing computational requirements. To present a systematic modernization roadmap, we highlight key architectural enhancements across multiple design scales from an earlier CNN-based approach. KAI-a incorporates a scale-invariant architecture and InceptionNeXt-based blocks within a geophysically-aware design, tailored to the structure of Earth system data. Trained on the ERA5 daily dataset with 67 atmospheric variables, the model contains about 7 million parameters and completes training in just 12 hours on a single NVIDIA L40s GPU. Our evaluation shows that KAI-a matches the performance of state-of-the-art models in medium-range weather forecasting, while offering a significantly lightweight design. Furthermore, case studies on the 2018 European heatwave and the East Asian summer monsoon demonstrate KAI-a's robust skill in capturing extreme events, reinforcing its practical utility.

cs.CV↗

arXiv2025

GraLoRA: Granular Low-Rank Adaptation for Parameter-Efficient Fine-Tuning

Low-Rank Adaptation (LoRA) is a popular method for parameter-efficient fine-tuning (PEFT) of generative models, valued for its simplicity and effectiveness. Despite recent enhancements, LoRA still suffers from a fundamental limitation: overfitting when the bottleneck is widened. It performs best at ranks 32-64, yet its accuracy stagnates or declines at higher ranks, still falling short of full fine-tuning (FFT) performance. We identify the root cause as LoRA's structural bottleneck, which introduces gradient entanglement to the unrelated input channels and distorts gradient propagation. To address this, we introduce a novel structure, Granular Low-Rank Adaptation (GraLoRA) that partitions weight matrices into sub-blocks, each with its own low-rank adapter. With negligible computational or storage cost, GraLoRA overcomes LoRA's limitations, effectively increases the representational capacity, and more closely approximates FFT behavior. Experiments on code generation and commonsense reasoning benchmarks show that GraLoRA consistently outperforms LoRA and other baselines, achieving up to +8.5% absolute gain in Pass@1 on HumanEval+. These improvements hold across model sizes and rank settings, making GraLoRA a scalable and robust solution for PEFT. Code, data, and scripts are available at https://github.com/SqueezeBits/GraLoRA.git

cs.LG↗

arXiv2025

Anomalous Reversal of Stability in Mo-containing Oxides: A Difficult Case Exhibiting Sensitivity to DFT+U and Distortion

Accurate predictions of the properties of transition metal oxides using density functional theory (DFT) calculations are essential for the computational design of energy materials. In this work, we investigate the anomalous reversal of the stability of structural distortions (where distorted structures go from being energetically favorable to sharply unfavorable relative to undistorted ones) induced by DFT+U on Mo d-orbitals in layered AMoO$_2$ (A = Li, Na, K) and rutile-like MoO$_2$. We highlight the significant impact of varying U$_{\text{eff}}$ values on the structural stability, convex hull, and thermodynamic stability predictions, noting that deviations can reach up to the order of 100 meV/atom across these energetic quantities. We find the transitions in stability are coincident with changes in the electron localization and magnetic behavior. The anomalous reversal persists across PBE, r$^2$SCAN functionals, and also with vdW-dispersion energy corrections (PBE+D3). In Mo-containing oxide systems, high U$_{\text{eff}}$ leads to inaccurate descriptions of physical quantities and structural relaxations under artificial symmetry constraints, as demonstrated by the phonon band structures, the Heyd-Scuseria-Ernzerhof (HSE06) hybrid functional results, and comparisons with experimental structural data. We conclude that high U$_{\text{eff}}$ values (around 4 eV and above, depending on the specific structures and compositions) might be unsuitable for energetic predictions in A-Mo-O chemical spaces. Our results suggest that the common practice of applying DFT+U to convex hull constructions, especially with high U$_{\text{eff}}$ values derived from fittings, should be carefully evaluated to ensure that ground states are correctly reproduced, with careful consideration of dynamic stability and possible energetically favorable distortions.

cond-mat.mtrl-sci↗

arXiv2024

Debunking the CUDA Myth Towards GPU-based AI Systems

This paper presents a comprehensive evaluation of Intel Gaudi NPUs as an alternative to NVIDIA GPUs, which is currently the de facto standard in AI system design. First, we create a suite of microbenchmarks to compare Intel Gaudi-2 with NVIDIA A100, showing that Gaudi-2 achieves competitive performance not only in primitive AI compute, memory, and communication operations but also in executing several important AI workloads end-to-end. We then assess Gaudi NPU's programmability by discussing several software-level optimization strategies to employ for implementing critical FBGEMM operators and vLLM, evaluating their efficiency against GPU-optimized counterparts. Results indicate that Gaudi-2 achieves energy efficiency comparable to A100, though there are notable areas for improvement in terms of software maturity. Overall, we conclude that, with effective integration into high-level AI frameworks, Gaudi NPUs could challenge NVIDIA GPU's dominance in the AI server market, though further improvements are necessary to fully compete with NVIDIA's robust software ecosystem.

cs.DC↗

arXiv2024

QUICK: Quantization-aware Interleaving and Conflict-free Kernel for efficient LLM inference

We introduce QUICK, a group of novel optimized CUDA kernels for the efficient inference of quantized Large Language Models (LLMs). QUICK addresses the shared memory bank-conflict problem of state-of-the-art mixed precision matrix multiplication kernels. Our method interleaves the quantized weight matrices of LLMs offline to skip the shared memory write-back after the dequantization. We demonstrate up to 1.91x speedup over existing kernels of AutoAWQ on larger batches and up to 1.94x throughput gain on representative LLM models on various NVIDIA GPU devices.

cs.LG↗

arXiv2024

SLEB: Streamlining LLMs through Redundancy Verification and Elimination of Transformer Blocks

Large language models (LLMs) have proven to be highly effective across various natural language processing tasks. However, their large number of parameters poses significant challenges for practical deployment. Pruning, a technique aimed at reducing the size and complexity of LLMs, offers a potential solution by removing redundant components from the network. Despite the promise of pruning, existing methods often struggle to achieve substantial end-to-end LLM inference speedup. In this paper, we introduce SLEB, a novel approach designed to streamline LLMs by eliminating redundant transformer blocks. We choose the transformer block as the fundamental unit for pruning, because LLMs exhibit block-level redundancy with high similarity between the outputs of neighboring blocks. This choice allows us to effectively enhance the processing speed of LLMs. Our experimental results demonstrate that SLEB outperforms previous LLM pruning methods in accelerating LLM inference while also maintaining superior perplexity and accuracy, making SLEB as a promising technique for enhancing the efficiency of LLMs. The code is available at: https://github.com/jiwonsong-dev/SLEB.

cs.CL↗

arXiv2023

Squeezing Large-Scale Diffusion Models for Mobile

The emergence of diffusion models has greatly broadened the scope of high-fidelity image synthesis, resulting in notable advancements in both practical implementation and academic research. With the active adoption of the model in various real-world applications, the need for on-device deployment has grown considerably. However, deploying large diffusion models such as Stable Diffusion with more than one billion parameters to mobile devices poses distinctive challenges due to the limited computational and memory resources, which may vary according to the device. In this paper, we present the challenges and solutions for deploying Stable Diffusion on mobile devices with TensorFlow Lite framework, which supports both iOS and Android devices. The resulting Mobile Stable Diffusion achieves the inference latency of smaller than 7 seconds for a 512x512 image generation on Android devices with mobile GPUs.

cs.LG↗

arXiv2023

OWQ: Outlier-Aware Weight Quantization for Efficient Fine-Tuning and Inference of Large Language Models

Large language models (LLMs) with hundreds of billions of parameters require powerful server-grade GPUs for inference, limiting their practical deployment. To address this challenge, we introduce the outlier-aware weight quantization (OWQ) method, which aims to minimize LLM's footprint through low-precision representation. OWQ prioritizes a small subset of structured weights sensitive to quantization, storing them in high-precision, while applying highly tuned quantization to the remaining dense weights. This sensitivity-aware mixed-precision scheme reduces the quantization error notably, and extensive experiments demonstrate that 3.1-bit models using OWQ perform comparably to 4-bit models optimized by OPTQ. Furthermore, OWQ incorporates a parameter-efficient fine-tuning for task-specific adaptation, called weak column tuning (WCT), enabling accurate task-specific LLM adaptation with minimal memory overhead in the optimized format. OWQ represents a notable advancement in the flexibility, efficiency, and practicality of LLM optimization literature. The source code is available at https://github.com/xvyaward/owq

cs.CL↗

arXiv2023

Temporal Dynamic Quantization for Diffusion Models

The diffusion model has gained popularity in vision applications due to its remarkable generative performance and versatility. However, high storage and computation demands, resulting from the model size and iterative generation, hinder its use on mobile devices. Existing quantization techniques struggle to maintain performance even in 8-bit precision due to the diffusion model's unique property of temporal variation in activation. We introduce a novel quantization method that dynamically adjusts the quantization interval based on time step information, significantly improving output quality. Unlike conventional dynamic quantization techniques, our approach has no computational overhead during inference and is compatible with both post-training quantization (PTQ) and quantization-aware training (QAT). Our extensive experiments demonstrate substantial improvements in output quality with the quantized diffusion model across various datasets.

cs.CV↗

arXiv2022

INSTA-BNN: Binary Neural Network with INSTAnce-aware Threshold

Binary Neural Networks (BNNs) have emerged as a promising solution for reducing the memory footprint and compute costs of deep neural networks, but they suffer from quality degradation due to the lack of freedom as activations and weights are constrained to the binary values. To compensate for the accuracy drop, we propose a novel BNN design called Binary Neural Network with INSTAnce-aware threshold (INSTA-BNN), which controls the quantization threshold dynamically in an input-dependent or instance-aware manner. According to our observation, higher-order statistics can be a representative metric to estimate the characteristics of the input distribution. INSTA-BNN is designed to adjust the threshold dynamically considering various information, including higher-order statistics, but it is also optimized judiciously to realize minimal overhead on a real device. Our extensive study shows that INSTA-BNN outperforms the baseline by 3.0% and 2.8% on the ImageNet classification task with comparable computing cost, achieving 68.5% and 72.2% top-1 accuracy on ResNet-18 and MobileNetV1 based models, respectively.

cs.CV↗

arXiv2021

Improving Accuracy of Binary Neural Networks using Unbalanced Activation Distribution

Binarization of neural network models is considered as one of the promising methods to deploy deep neural network models on resource-constrained environments such as mobile devices. However, Binary Neural Networks (BNNs) tend to suffer from severe accuracy degradation compared to the full-precision counterpart model. Several techniques were proposed to improve the accuracy of BNNs. One of the approaches is to balance the distribution of binary activations so that the amount of information in the binary activations becomes maximum. Based on extensive analysis, in stark contrast to previous work, we argue that unbalanced activation distribution can actually improve the accuracy of BNNs. We also show that adjusting the threshold values of binary activation functions results in the unbalanced distribution of the binary activation, which increases the accuracy of BNN models. Experimental results show that the accuracy of previous BNN models (e.g. XNOR-Net and Bi-Real-Net) can be improved by simply shifting the threshold values of binary activation functions without requiring any other modification.

cs.LG↗

arXiv2020

Empirical Strategy for Stretching Probability Distribution in Neural-network-based Regression

In regression analysis under artificial neural networks, the prediction performance depends on determining the appropriate weights between layers. As randomly initialized weights are updated during back-propagation using the gradient descent procedure under a given loss function, the loss function structure can affect the performance significantly. In this study, we considered the distribution error, i.e., the inconsistency of two distributions (those of the predicted values and label), as the prediction error, and proposed weighted empirical stretching (WES) as a novel loss function to increase the overlap area of the two distributions. The function depends on the distribution of a given label, thus, it is applicable to any distribution shape. Moreover, it contains a scaling hyperparameter such that the appropriate parameter value maximizes the common section of the two distributions. To test the function capability, we generated ideal distributed curves (unimodal, skewed unimodal, bimodal, and skewed bimodal) as the labels, and used the Fourier-extracted input data from the curves under a feedforward neural network. In general, WES outperformed loss functions in wide use, and the performance was robust to the various noise levels. The improved results in RMSE for the extreme domain (i.e., both tail regions of the distribution) are expected to be utilized for prediction of abnormal events in non-linear complex systems such as natural disaster and financial crisis.

cs.LG↗

arXiv2020

BinaryDuo: Reducing Gradient Mismatch in Binary Activation Network by Coupling Binary Activations

Binary Neural Networks (BNNs) have been garnering interest thanks to their compute cost reduction and memory savings. However, BNNs suffer from performance degradation mainly due to the gradient mismatch caused by binarizing activations. Previous works tried to address the gradient mismatch problem by reducing the discrepancy between activation functions used at forward pass and its differentiable approximation used at backward pass, which is an indirect measure. In this work, we use the gradient of smoothed loss function to better estimate the gradient mismatch in quantized neural network. Analysis using the gradient mismatch estimator indicates that using higher precision for activation is more effective than modifying the differentiable approximation of activation function. Based on the observation, we propose a new training scheme for binary activation networks called BinaryDuo in which two binary activations are coupled into a ternary activation during training. Experimental results show that BinaryDuo outperforms state-of-the-art BNNs on various benchmarks with the same amount of parameters and computing cost.

cs.LG↗

arXiv2019

Zero-shifting Technique for Deep Neural Network Training on Resistive Cross-point Arrays

A resistive memory device-based computing architecture is one of the promising platforms for energy-efficient Deep Neural Network (DNN) training accelerators. The key technical challenge in realizing such accelerators is to accumulate the gradient information without a bias. Unlike the digital numbers in software which can be assigned and accessed with desired accuracy, numbers stored in resistive memory devices can only be manipulated following the physics of the device, which can significantly limit the training performance. Therefore, additional techniques and algorithm-level remedies are required to achieve the best possible performance in resistive memory device-based accelerators. In this paper, we analyze asymmetric conductance modulation characteristics in RRAM by Soft-bound synapse model and present an in-depth analysis on the relationship between device characteristics and DNN model accuracy using a 3-layer DNN trained on the MNIST dataset. We show that the imbalance between up and down update leads to a poor network performance. We introduce a concept of symmetry point and propose a zero-shifting technique which can compensate imbalance by programming the reference device and changing the zero value point of the weight. By using this zero-shifting method, we show that network performance dramatically improves for imbalanced synapse devices.

cs.ET↗