arXiv subjects

Jaewoong Choi

Publications and source records attributed to Jaewoong Choi.

36 records · Page 2Linked to original sources

arXiv2024

Early screening of potential breakthrough technologies with enhanced interpretability: A patent-specific hierarchical attention network model

Despite the usefulness of machine learning approaches for the early screening of potential breakthrough technologies, their practicality is often hindered by opaque models. To address this, we propose an interpretable machine learning approach to predicting future citation counts from patent texts using a patent-specific hierarchical attention network (PatentHAN) model. Central to this approach are (1) a patent-specific pre-trained language model, capturing the meanings of technical words in patent claims, (2) a hierarchical network structure, enabling detailed analysis at the claim level, and (3) a claim-wise self-attention mechanism, revealing pivotal claims during the screening process. A case study of 35,376 pharmaceutical patents demonstrates the effectiveness of our approach in early screening of potential breakthrough technologies while ensuring interpretability. Furthermore, we conduct additional analyses using different language models and claim types to examine the robustness of the approach. It is expected that the proposed approach will enhance expert-machine collaboration in identifying breakthrough technologies, providing new insight derived from text mining into technological value.

cs.CL↗

arXiv2024

Text-to-Battery Recipe: A language modeling-based protocol for automatic battery recipe extraction and retrieval

Recent studies have increasingly applied natural language processing (NLP) to automatically extract experimental research data from the extensive battery materials literature. Despite the complex process involved in battery manufacturing -- from material synthesis to cell assembly -- there has been no comprehensive study systematically organizing this information. In response, we propose a language modeling-based protocol, Text-to-Battery Recipe (T2BR), for the automatic extraction of end-to-end battery recipes, validated using a case study on batteries containing LiFePO4 cathode material. We report machine learning-based paper filtering models, screening 2,174 relevant papers from the keyword-based search results, and unsupervised topic models to identify 2,876 paragraphs related to cathode synthesis and 2,958 paragraphs related to cell assembly. Then, focusing on the two topics, two deep learning-based named entity recognition models are developed to extract a total of 30 entities -- including precursors, active materials, and synthesis methods -- achieving F1 scores of 88.18% and 94.61%. The accurate extraction of entities enables the systematic generation of 165 end-toend recipes of LiFePO4 batteries. Our protocol and results offer valuable insights into specific trends, such as associations between precursor materials and synthesis methods, or combinations between different precursor materials. We anticipate that our findings will serve as a foundational knowledge base for facilitating battery-recipe information retrieval. The proposed protocol will significantly accelerate the review of battery material literature and catalyze innovations in battery design and development.

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arXiv2024

MaTableGPT: GPT-based Table Data Extractor from Materials Science Literature

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.

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arXiv2024

Design of reliable technology valuation model with calibrated machine learning of patent indicators

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.

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arXiv2024

Scalable Wasserstein Gradient Flow for Generative Modeling through Unbalanced Optimal Transport

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.

cs.LG↗

arXiv2024

Analyzing and Improving Optimal-Transport-based Adversarial Networks

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.

cs.LG↗

arXiv2024

Generative Modeling through the Semi-dual Formulation of Unbalanced Optimal Transport

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}.

cs.CV↗

arXiv2023

C-ITS Environment Modeling and Attack Modeling

As technology advances, cities are evolving into smart cities, with the ability to process large amounts of data and the increasing complexity and diversification of various elements within urban areas. Among the core systems of a smart city is the Cooperative-Intelligent Transport Systems (C-ITS). C-ITS is a system where vehicles provide real-time information to drivers about surrounding traffic conditions, sudden stops, falling objects, and other accident risks through roadside base stations. It consists of road infrastructure, C-ITS centers, and vehicle terminals. However, as smart cities integrate many elements through networks and electronic control, they are susceptible to cybersecurity issues. In the case of cybersecurity problems in C-ITS, there is a significant risk of safety issues arising. This technical document aims to model the C-ITS environment and the services it provides, with the purpose of identifying the attack surface where security incidents could occur in a smart city environment. Subsequently, based on the identified attack surface, the document aims to construct attack scenarios and their respective stages. The document provides a description of the concept of C-ITS, followed by the description of the C-ITS environment model, service model, and attack scenario model defined by us.

cs.CR↗

arXiv2023

AI-based Attack Graph Generation

With the advancement of IoT technology, many electronic devices are interconnected through networks, communicating with each other and performing specific roles. However, as numerous devices join networks, the threat of cyberattacks also escalates. Preventing and detecting cyber threats are crucial, and one method of preventing such threats involves using attack graphs. Attack graphs are widely used to assess security threats within networks. However, a drawback emerges as the network scales, as generating attack graphs becomes time-consuming. To overcome this limitation, artificial intelligence models can be employed. By utilizing AI models, attack graphs can be created within a short period, approximating optimal outcomes. AI models designed for attack graph generation consist of encoders and decoders, trained using reinforcement learning algorithms. After training the AI models, we confirmed the model's learning effectiveness by observing changes in loss and reward values. Additionally, we compared attack graphs generated by the AI model with those created through conventional methods.

cs.CR↗

arXiv2023

Understanding the Latent Space of Diffusion Models through the Lens of Riemannian Geometry

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.

cs.CV↗

arXiv2023

Accelerated materials language processing enabled by GPT

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.

cs.CL↗

arXiv2023

Analyzing the Latent Space of GAN through Local Dimension Estimation

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.

cs.CV↗

arXiv2023

Finding the global semantic representation in GAN through Frechet Mean

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.

cs.CV↗

arXiv2022

Time-aware topic identification in social media with pre-trained language models: A case study of electric vehicles

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.

cs.CL↗

arXiv2022

Do Not Escape From the Manifold: Discovering the Local Coordinates on the Latent Space of GANs

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.

cs.CV↗

arXiv2021

Discond-VAE: Disentangling Continuous Factors from the Discrete

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.

cs.LG↗

arXiv2020

Deep learning-based citation recommendation system for patents

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.

cs.IR↗

arXiv2019

Attention routing between capsules

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.

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