Jaewoong Choi

Yong-Hyun Park, Mingi Kwon, Jaewoong Choi et al.

Despite the success of diffusion models (DMs), we still lack a thorough understanding of their latent space. To understand the latent space $\mathbf{x}_t \in \mathcal{X}$, we analyze them from a geometrical perspective. Our approach involves deriving the local latent basis within $\mathcal{X}$ by leveraging the pullback metric associated with their encoding feature maps. Remarkably, our discovered local latent basis enables image editing capabilities by moving $\mathbf{x}_t$, the latent space of DMs, along the basis vector at specific timesteps. We further analyze how the geometric structure of DMs evolves over diffusion timesteps and differs across different text conditions. This confirms the known phenomenon of coarse-to-fine generation, as well as reveals novel insights such as the discrepancy between $\mathbf{x}_t$ across timesteps, the effect of dataset complexity, and the time-varying influence of text prompts. To the best of our knowledge, this paper is the first to present image editing through $\mathbf{x}$-space traversal, editing only once at specific timestep $t$ without any additional training, and providing thorough analyses of the latent structure of DMs. The code to reproduce our experiments can be found at https://github.com/enkeejunior1/Diffusion-Pullback.

Byeongki Jeong, Janghyeok Yoon, Jaewoong Choi

Recent extensively competitive business environment makes companies to keep their eyes on social media, as there is a growing recognition over customer languages (e.g., needs, interests, and complaints) as source of future opportunities. This research avenue analysing social media data has received much attention in academia, but their utilities are limited as most of methods provide retrospective results. Moreover, the increasing number of customer-generated contents and rapidly varying topics have made the necessity of time-aware topic evolution analyses. Recently, several researchers have showed the applicability of pre-trained semantic language models to social media as an input feature, but leaving limitations in understanding evolving topics. In this study, we propose a time-aware topic identification approach with pre-trained language models. The proposed approach consists of two stages: the dynamics-focused function for tracking time-varying topics with language models and the emergence-scoring function to examine future promising topics. Here we apply the proposed approach to reddit data on electric vehicles, and our findings highlight the feasibility of capturing emerging customer topics from voluminous social media in a time-aware manner.

Jaewoong Choi, Geonho Hwang, Hyunsoo Cho et al.

The ideally disentangled latent space in GAN involves the global representation of latent space with semantic attribute coordinates. In other words, considering that this disentangled latent space is a vector space, there exists the global semantic basis where each basis component describes one attribute of generated images. In this paper, we propose an unsupervised method for finding this global semantic basis in the intermediate latent space in GANs. This semantic basis represents sample-independent meaningful perturbations that change the same semantic attribute of an image on the entire latent space. The proposed global basis, called Fréchet basis, is derived by introducing Fréchet mean to the local semantic perturbations in a latent space. Fréchet basis is discovered in two stages. First, the global semantic subspace is discovered by the Fréchet mean in the Grassmannian manifold of the local semantic subspaces. Second, Fréchet basis is found by optimizing a basis of the semantic subspace via the Fréchet mean in the Special Orthogonal Group. Experimental results demonstrate that Fréchet basis provides better semantic factorization and robustness compared to the previous methods. Moreover, we suggest the basis refinement scheme for the previous methods. The quantitative experiments show that the refined basis achieves better semantic factorization while constrained on the same semantic subspace given by the previous method.

Jaewoong Choi, Geonho Hwang, Hyunsoo Cho et al.

The impressive success of style-based GANs (StyleGANs) in high-fidelity image synthesis has motivated research to understand the semantic properties of their latent spaces. In this paper, we approach this problem through a geometric analysis of latent spaces as a manifold. In particular, we propose a local dimension estimation algorithm for arbitrary intermediate layers in a pre-trained GAN model. The estimated local dimension is interpreted as the number of possible semantic variations from this latent variable. Moreover, this intrinsic dimension estimation enables unsupervised evaluation of disentanglement for a latent space. Our proposed metric, called Distortion, measures an inconsistency of intrinsic tangent space on the learned latent space. Distortion is purely geometric and does not require any additional attribute information. Nevertheless, Distortion shows a high correlation with the global-basis-compatibility and supervised disentanglement score. Our work is the first step towards selecting the most disentangled latent space among various latent spaces in a GAN without attribute labels.

Jaemoo Choi, Jaewoong Choi, Myungjoo Kang

Optimal Transport (OT) problem aims to find a transport plan that bridges two distributions while minimizing a given cost function. OT theory has been widely utilized in generative modeling. In the beginning, OT distance has been used as a measure for assessing the distance between data and generated distributions. Recently, OT transport map between data and prior distributions has been utilized as a generative model. These OT-based generative models share a similar adversarial training objective. In this paper, we begin by unifying these OT-based adversarial methods within a single framework. Then, we elucidate the role of each component in training dynamics through a comprehensive analysis of this unified framework. Moreover, we suggest a simple but novel method that improves the previously best-performing OT-based model. Intuitively, our approach conducts a gradual refinement of the generated distribution, progressively aligning it with the data distribution. Our approach achieves a FID score of 2.51 on CIFAR-10 and 5.99 on CelebA-HQ-256, outperforming unified OT-based adversarial approaches.

Jaewoong Choi, Byungju Lee

Materials language processing (MLP) is one of the key facilitators of materials science research, as it enables the extraction of structured information from massive materials science literature. Prior works suggested high-performance MLP models for text classification, named entity recognition (NER), and extractive question answering (QA), which require complex model architecture, exhaustive fine-tuning and a large number of human-labelled datasets. In this study, we develop generative pretrained transformer (GPT)-enabled pipelines where the complex architectures of prior MLP models are replaced with strategic designs of prompt engineering. First, we develop a GPT-enabled document classification method for screening relevant documents, achieving comparable accuracy and reliability compared to prior models, with only small dataset. Secondly, for NER task, we design an entity-centric prompts, and learning few-shot of them improved the performance on most of entities in three open datasets. Finally, we develop an GPT-enabled extractive QA model, which provides improved performance and shows the possibility of automatically correcting annotations. While our findings confirm the potential of GPT-enabled MLP models as well as their value in terms of reliability and practicability, our scientific methods and systematic approach are applicable to any materials science domain to accelerate the information extraction of scientific literature.

Jaemoo Choi, Jaewoong Choi, Myungjoo Kang

Optimal Transport (OT) problem investigates a transport map that bridges two distributions while minimizing a given cost function. In this regard, OT between tractable prior distribution and data has been utilized for generative modeling tasks. However, OT-based methods are susceptible to outliers and face optimization challenges during training. In this paper, we propose a novel generative model based on the semi-dual formulation of Unbalanced Optimal Transport (UOT). Unlike OT, UOT relaxes the hard constraint on distribution matching. This approach provides better robustness against outliers, stability during training, and faster convergence. We validate these properties empirically through experiments. Moreover, we study the theoretical upper-bound of divergence between distributions in UOT. Our model outperforms existing OT-based generative models, achieving FID scores of 2.97 on CIFAR-10 and 6.36 on CelebA-HQ-256. The code is available at \url{https://github.com/Jae-Moo/UOTM}.

Jaemoo Choi, Jaewoong Choi, Myungjoo Kang

Wasserstein Gradient Flow (WGF) describes the gradient dynamics of probability density within the Wasserstein space. WGF provides a promising approach for conducting optimization over the probability distributions. Numerically approximating the continuous WGF requires the time discretization method. The most well-known method for this is the JKO scheme. In this regard, previous WGF models employ the JKO scheme and parametrize transport map for each JKO step. However, this approach results in quadratic training complexity $O(K^2)$ with the number of JKO step $K$. This severely limits the scalability of WGF models. In this paper, we introduce a scalable WGF-based generative model, called Semi-dual JKO (S-JKO). Our model is based on the semi-dual form of the JKO step, derived from the equivalence between the JKO step and the Unbalanced Optimal Transport. Our approach reduces the training complexity to $O(K)$. We demonstrate that our model significantly outperforms existing WGF-based generative models, achieving FID scores of 2.62 on CIFAR-10 and 5.46 on CelebA-HQ-256, which are comparable to state-of-the-art image generative models.

Hyunsoo Song, Minjung Gim, Jaewoong Choi

Flow matching has recently emerged as a powerful framework for continuous-time generative modeling. However, when applied to long-tailed distributions, standard flow matching suffers from majority bias, producing minority modes with low fidelity and failing to match the true class proportions. In this work, we propose Unbalanced Optimal Transport Reweighted Flow Matching (UOT-RFM), a novel framework for generative modeling under class-imbalanced (long-tailed) distributions that operates without any class label information. Our method constructs the conditional vector field using mini-batch Unbalanced Optimal Transport (UOT) and mitigates majority bias through a principled inverse reweighting strategy. The reweighting relies on a label-free majority score, defined as the density ratio between the target distribution and the UOT marginal. This score quantifies the degree of majority based on the geometric structure of the data, without requiring class labels. By incorporating this score into the training objective, UOT-RFM theoretically recovers the target distribution with first-order correction ($k=1$) and empirically improves tail-class generation through higher-order corrections ($k > 1$). Our model outperforms existing flow matching baselines on long-tailed benchmarks, while maintaining competitive performance on balanced datasets.

Youngjin Seol, Jaewoong Choi, Seunghyun Lee et al.

Machine learning (ML) models are valuable tools for analyzing the impact of technology using patent citation information. However, existing ML-based methods often struggle to account for the dynamic nature of the technology impact over time and the interdependencies of these impacts across different periods. This study proposes a multi-task learning (MTL) approach to enhance the prediction of technology impact across various time frames by leveraging knowledge sharing and simultaneously monitoring the evolution of technology impact. First, we quantify the technology impacts and identify patterns through citation analysis over distinct time periods. Next, we develop MTL models to predict citation counts using multiple patent indicators over time. Finally, we examine the changes in key input indicators and their patterns over different periods using the SHapley Additive exPlanation method. We also offer guidelines for validating and interpreting the results by employing statistical methods and natural language processing techniques. A case study on battery technologies demonstrates that our approach not only deepens the understanding of technology impact, but also improves prediction accuracy, yielding valuable insights for both academia and industry.

Seunghyun Lee, Janghyeok Yoon, Jaewoong Choi

Machine learning (ML) has revolutionized the digital transformation of technology valuation by predicting the value of patents with high accuracy. However, the lack of validation regarding the reliability of these models hinders experts from fully trusting the confidence of model predictions. To address this issue, we propose an analytical framework for reliable technology valuation using calibrated ML models, which provide robust confidence levels in model predictions. We extract quantitative patent indicators that represent various technology characteristics as input data, using the patent maintenance period as a proxy for technology values. Multiple ML models are developed to capture the nonlinear relationship between patent indicators and technology value. The reliability and accuracy of these models are evaluated, presenting a Pareto-front map where the expected calibration error, Matthews correlation coefficient and F1-scores are compared. After identifying the best-performing model, we apply SHapley Additive exPlanation (SHAP) analysis to pinpoint the most significant input features by confidence bin. Through a case study, we confirmed that the proposed approach offers a practical guideline for developing reliable and accurate ML-based technology valuation models, with significant implications for both academia and industry.

Gyeong Hoon Yi, Jiwoo Choi, Hyeongyun Song et al.

Efficiently extracting data from tables in the scientific literature is pivotal for building large-scale databases. However, the tables reported in materials science papers exist in highly diverse forms; thus, rule-based extractions are an ineffective approach. To overcome this challenge, we present MaTableGPT, which is a GPT-based table data extractor from the materials science literature. MaTableGPT features key strategies of table data representation and table splitting for better GPT comprehension and filtering hallucinated information through follow-up questions. When applied to a vast volume of water splitting catalysis literature, MaTableGPT achieved an extraction accuracy (total F1 score) of up to 96.8%. Through comprehensive evaluations of the GPT usage cost, labeling cost, and extraction accuracy for the learning methods of zero-shot, few-shot and fine-tuning, we present a Pareto-front mapping where the few-shot learning method was found to be the most balanced solution owing to both its high extraction accuracy (total F1 score>95%) and low cost (GPT usage cost of 5.97 US dollars and labeling cost of 10 I/O paired examples). The statistical analyses conducted on the database generated by MaTableGPT revealed valuable insights into the distribution of the overpotential and elemental utilization across the reported catalysts in the water splitting literature.

Yongseung Jegal, Jaewoong Choi, Jiho Lee et al.

Drug repositioning-a promising strategy for discovering new therapeutic uses for existing drugs-has been increasingly explored in the computational science literature using biomedical databases. However, the technological potential of drug repositioning candidates has often been overlooked. This study presents a novel protocol to comprehensively analyse various sources such as pharmaceutical patents and biomedical databases, and identify drug repositioning candidates with both technological potential and scientific evidence. To this end, first, we constructed a scientific biomedical knowledge graph (s-BKG) comprising relationships between drugs, diseases, and genes derived from biomedical databases. Our protocol involves identifying drugs that exhibit limited association with the target disease but are closely located in the s-BKG, as potential drug candidates. We constructed a patent-informed biomedical knowledge graph (p-BKG) by adding pharmaceutical patent information. Finally, we developed a graph embedding protocol to ascertain the structure of the p-BKG, thereby calculating the relevance scores of those candidates with target disease-related patents to evaluate their technological potential. Our case study on Alzheimer's disease demonstrates its efficacy and feasibility, while the quantitative outcomes and systematic methods are expected to bridge the gap between computational discoveries and successful market applications in drug repositioning research.

Jaewoong Choi, Junho Lee, Changyeon Yoon et al.

The discovery of the disentanglement properties of the latent space in GANs motivated a lot of research to find the semantically meaningful directions on it. In this paper, we suggest that the disentanglement property is closely related to the geometry of the latent space. In this regard, we propose an unsupervised method for finding the semantic-factorizing directions on the intermediate latent space of GANs based on the local geometry. Intuitively, our proposed method, called Local Basis, finds the principal variation of the latent space in the neighborhood of the base latent variable. Experimental results show that the local principal variation corresponds to the semantic factorization and traversing along it provides strong robustness to image traversal. Moreover, we suggest an explanation for the limited success in finding the global traversal directions in the latent space, especially W-space of StyleGAN2. We show that W-space is warped globally by comparing the local geometry, discovered from Local Basis, through the metric on Grassmannian Manifold. The global warpage implies that the latent space is not well-aligned globally and therefore the global traversal directions are bound to show limited success on it.

Jaewoong Choi, Sion Jang, Jaeyoung Kim et al.

In this study, we address the challenges in developing a deep learning-based automatic patent citation recommendation system. Although deep learning-based recommendation systems have exhibited outstanding performance in various domains (such as movies, products, and paper citations), their validity in patent citations has not been investigated, owing to the lack of a freely available high-quality dataset and relevant benchmark model. To solve these problems, we present a novel dataset called PatentNet that includes textual information and metadata for approximately 110,000 patents from the Google Big Query service. Further, we propose strong benchmark models considering the similarity of textual information and metadata (such as cooperative patent classification code). Compared with existing recommendation methods, the proposed benchmark method achieved a mean reciprocal rank of 0.2377 on the test set, whereas the existing state-of-the-art recommendation method achieved 0.2073.

Jaewoong Choi, Geonho Hwang, Myungjoo Kang

In the real-world data, there are common variations shared by all classes (e.g. category label) and exclusive variations of each class. We propose a variant of VAE capable of disentangling both of these variations. To represent these generative factors of data, we introduce two sets of continuous latent variables, private variable and public variable. Our proposed framework models the private variable as a Mixture of Gaussian and the public variable as a Gaussian, respectively. Each mode of the private variable is responsible for a class of the discrete variable. Most of the previous attempts to integrate the discrete generative factors to disentanglement assume statistical independence between the continuous and discrete variables. Our proposed model, which we call Discond-VAE, DISentangles the class-dependent CONtinuous factors from the Discrete factors by introducing the private variables. The experiments show that Discond-VAE can discover the private and public factors from data. Moreover, even under the dataset with only public factors, Discond-VAE does not fail and adapts the private variables to represent the public factors.

Jaewoong Choi, Hyun Seo, Suii Im et al.

In this paper, we propose a new capsule network architecture called Attention Routing CapsuleNet (AR CapsNet). We replace the dynamic routing and squash activation function of the capsule network with dynamic routing (CapsuleNet) with the attention routing and capsule activation. The attention routing is a routing between capsules through an attention module. The attention routing is a fast forward-pass while keeping spatial information. On the other hand, the intuitive interpretation of the dynamic routing is finding a centroid of the prediction capsules. Thus, the squash activation function and its variant focus on preserving a vector orientation. However, the capsule activation focuses on performing a capsule-scale activation function. We evaluate our proposed model on the MNIST, affNIST, and CIFAR-10 classification tasks. The proposed model achieves higher accuracy with fewer parameters (x0.65 in the MNIST, x0.82 in the CIFAR-10) and less training time than CapsuleNet (x0.19 in the MNIST, x0.35 in the CIFAR-10). These results validate that designing a capsule-scale operation is a key factor to implement the capsule concept. Also, our experiment shows that our proposed model is transformation equivariant as CapsuleNet. As we perturb each element of the output capsule, the decoder attached to the output capsules shows global variations. Further experiments show that the difference in the capsule features caused by applying affine transformations on an input image is significantly aligned in one direction.