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Researcher profile

Hyungjun Kim

Hyungjun Kim contributes to research discovery and scholarly infrastructure.

ResearcherAffiliation not importedOpen to collaborate
Artificial IntelligenceMachine Learningcond-mat.mtrl-sci

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Published work

4 published item(s)

preprint2026arXiv

From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry

Large language models (LLMs) are rapidly changing how researchers in materials science and chemistry discover, organize, and act on scientific knowledge. This paper analyzes a broad set of community-developed LLM applications in an effort to identify emerging patterns in how these systems can be used across the scientific research lifecycle. We organize the projects into two complementary categories: Knowledge Infrastructure, systems that structure, retrieve, synthesize, and validate scientific information; and Action Systems, systems that execute, coordinate, or automate scientific work across computational and experimental environments. The submissions reveal a shift from single-purpose LLM tools toward integrated, multi-agent workflows that combine retrieval, reasoning, tool use, and domain-specific validation. Prominent themes include retrieval-augmented generation as grounding infrastructure, persistent structured knowledge representations, multimodal and multilingual scientific inputs, and early progress toward laboratory-integrated closed-loop systems. Together, these results suggest that LLMs are evolving from general-purpose assistants into composable infrastructure for scientific reasoning and action. This work provides a community snapshot of that transition and a practical taxonomy for understanding emerging LLM-enabled workflows in materials science and chemistry.

0 citations0 reviewsNo code linkedOpen access
preprint2026arXiv

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

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

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.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

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.

0 citations0 reviewsNo code linkedOpen access