arXiv subjects

Jaewoong Choi

Publications and source records attributed to Jaewoong Choi.

At least 19 recordsLinked to original sources

arXiv2026

Reward-guided Fine-Tuning of One-Step Generative Models via Wasserstein Gradient Flow

To mitigate the time complexity of generative models, one-step generative models have recently emerged through direct mapping from noise to data in a single forward pass. However, the reward-guided fine-tuning method of one-step generative models remains largely unexplored. To address this, we consider one-step generators from an optimal transport view, investigating Wasserstein Gradient Flow (WGF) for modeling smooth and controlled distributional evolution in probability space. We then propose a novel reward-guided fine-tuning of a one-step generative model via WGF. We derive a practical training method that requires no reward gradients, thereby handling both non-differentiable and differentiable rewards. Moreover, our method provides smooth and stable reward-guided distributional updates while mitigating reward hacking and mode collapse. Experiments on 2D synthetic data, CIFAR-10, and ImageNet 256$\times$256 with diverse rewards, including JPEG (in)compressibility, class probability, Black-and-White and CLIP alignment, show that our method achieves better reward alignment compared to baselines.

cs.LG↗

arXiv2026

UOTIP: Unbalanced Optimal Transport Map for Unpaired Inverse Problems

We investigate unpaired image inverse problems, a challenging setting where only independent, non-paired sets of noisy measurements and clean target signals are available for training. We propose a novel inverse problem solver based on Unbalanced Optimal Transport, called Unbalanced Optimal Transport Map for Inverse Problems (UOTIP). Our method formulates the reconstruction task, predicting clean target signals from noisy measurements, as learning a UOT Map from noisy measurement distribution to clean signal distribution by incorporating a likelihood-based cost function. By relaxing the exact marginal constraint, the UOT framework provides key advantages to our model: robustness to multi-level observation noise, adaptability to class imbalance between noisy and clean datasets, and generalizability to diverse noise-type scenarios. Furthermore, we theoretically demonstrate that incorporating a quadratic cost term ensures the existence and uniqueness of the transport map by satisfying the twist condition, even for ill-posed inverse problems. Our experiments demonstrate that UOTIP achieves state-of-the-art performance on unpaired image inverse problem benchmarks, across linear and nonlinear inverse problems.

cs.LG↗

arXiv2026

Efficient Adjoint Matching for Fine-tuning Diffusion Models

Reward fine-tuning has become a common approach for aligning pretrained diffusion and flow models with human preferences in text-to-image generation. Among reward-gradient-based methods, Adjoint Matching (AM) provides a principled formulation by casting reward fine-tuning as a stochastic optimal control (SOC) problem. However, AM inevitably requires a substantial computational cost: it requires (i) stochastic simulation of full generative trajectories under memoryless dynamics, resulting in a large number of function evaluations, and (ii) backward ODE simulation of the adjoint state along each sampled trajectory. In this work, we observe that both bottlenecks are closely tied to the \textit{non-trivial base drift} inherited from the pretrained model. Motivated by this observation, we propose \textbf{Efficient Adjoint Matching (EAM)}, which substantially improves training efficiency by reformulating the SOC problem with a \textit{linear base drift} and a correspondingly modified \textit{terminal cost}. This reformulation removes both sources of inefficiency; it enables training-time sampling with a few-step deterministic ODE solver and yields a closed-form adjoint solution that eliminates backward adjoint simulation. On standard text-to-image reward fine-tuning benchmarks, EAM converges up to 4x faster than AM and matches or surpasses it across various metrics including PickScore, ImageReward, HPSv2.1, CLIPScore and Aesthetics.

cs.LG↗

arXiv2026

Unlearning for One-Step Generative Models via Unbalanced Optimal Transport

Recent advances in one-step generative frameworks, such as flow map models, have significantly improved the efficiency of image generation by learning direct noise-to-data mappings in a single forward pass. However, machine unlearning for ensuring the safety of these powerful generators remains entirely unexplored. Existing diffusion unlearning methods are inherently incompatible with these one-step models, as they rely on a multi-step iterative denoising process. In this work, we propose UOT-Unlearn, a novel plug-and-play class unlearning framework for one-step generative models based on the Unbalanced Optimal Transport (UOT). Our method formulates unlearning as a principled trade-off between a forget cost, which suppresses the target class, and an $f$-divergence penalty, which preserves overall generation fidelity via relaxed marginal constraints. By leveraging UOT, our method enables the probability mass of the forgotten class to be smoothly redistributed to the remaining classes, rather than collapsing into low-quality or noise-like samples. Experimental results on CIFAR-10 and ImageNet-256 demonstrate that our framework achieves superior unlearning success (PUL) and retention quality (u-FID), significantly outperforming baselines.

cs.CV↗

arXiv2026

Conditional Unbalanced Optimal Transport Maps: An Outlier-Robust Framework for Conditional Generative Modeling

Conditional Optimal Transport (COT) problem aims to find a transport map between conditional source and target distributions while minimizing the transport cost. Recently, these transport maps have been utilized in conditional generative modeling tasks to establish efficient mappings between the distributions. However, classical COT inherits a fundamental limitation of optimal transport, i.e., sensitivity to outliers, which arises from the hard distribution matching constraints. This limitation becomes more pronounced in a conditional setting, where each conditional distribution is estimated from a limited subset of data. To address this, we introduce the Conditional Unbalanced Optimal Transport (CUOT) framework, which relaxes conditional distribution-matching constraints through Csiszár divergence penalties while strictly preserving the conditioning marginals. We establish a rigorous formulation of the CUOT problem and derive its dual and semi-dual formulations. Based on the semi-dual form, we propose Conditional Unbalanced Optimal Transport Maps (CUOTM), an outlier-robust conditional generative model built upon a triangular $c$-transform parameterization. We theoretically justify the validity of this parameterization by proving that the optimal triangular map satisfies the $c$-transform relationships. Our experiments on 2D synthetic and image-scale datasets demonstrate that CUOTM achieves superior outlier robustness and competitive distribution-matching performance compared to existing COT-based baselines, while maintaining high sampling efficiency.

cs.LG↗

arXiv2026

Neural Optimal Transport in Hilbert Spaces: Characterizing Spurious Solutions and Gaussian Smoothing

We study Neural Optimal Transport in infinite-dimensional Hilbert spaces. In non-regular settings, Semi-dual Neural OT often generates spurious solutions that fail to accurately capture target distributions. We analytically characterize this spurious solution problem using the framework of regular measures, which generalize Lebesgue absolute continuity in finite dimensions. To resolve ill-posedness, we extend the semi-dual framework via a Gaussian smoothing strategy based on Brownian motion. Our primary theoretical contribution proves that under a regular source measure, the formulation is well-posed and recovers a unique Monge map. Furthermore, we establish a sharp characterization for the regularity of smoothed measures, proving that the success of smoothing depends strictly on the kernel of the covariance operator. Empirical results on synthetic functional data and time-series datasets demonstrate that our approach effectively suppresses spurious solutions and outperforms existing baselines.

cs.LG↗

arXiv2026

Rate-Optimal Noise Annealing in Semi-Dual Neural Optimal Transport: Tangential Identifiability, Off-Manifold Ambiguity, and Guaranteed Recovery

Semi-dual neural optimal transport learns a transport map via a max-min objective, yet training can converge to incorrect or degenerate maps. We fully characterize these spurious solutions in the common regime where data concentrate on low-dimensional manifold: the objective is underconstrained off the data manifold, while the on-manifold transport signal remains identifiable. Following Choi, Choi, and Kwon (2025), we study additive-noise smoothing as a remedy and prove new map recovery guarantees as the noise vanishes. Our main practical contribution is a computable terminal noise level $\varepsilon_{\mathrm{stat}}(N)$ that attains the optimal statistical rate, with scaling governed by the intrinsic dimension $m$ of the data. The formula arises from a theoretical unified analysis of (i) quantitative stability of optimal plans, (ii) smoothing-induced bias, and (iii) finite-sample error, yielding rates that depend on $m$ rather than the ambient dimension. Finally, we show that the reduced semi-dual objective becomes increasingly ill-conditioned as $\varepsilon \downarrow 0$. This provides a principled stopping rule: annealing below $\varepsilon_{\mathrm{stat}}(N)$ can $\textit{worsen}$ optimization conditioning without improving statistical accuracy.

cs.LG↗

arXiv2026

Overcoming Spurious Solutions in Semi-Dual Neural Optimal Transport: A Smoothing Approach for Learning the Optimal Transport Plan

We address the convergence problem in learning the Optimal Transport (OT) map, where the OT Map refers to a map from one distribution to another while minimizing the transport cost. Semi-dual Neural OT, a widely used approach for learning OT Maps with neural networks, often generates fake solutions that fail to transfer one distribution to another accurately. We identify a sufficient condition under which the max-min solution of Semi-dual Neural OT recovers the true OT Map. Moreover, to address cases when this sufficient condition is not satisfied, we propose a novel method, OTP, which learns both the OT Map and the Optimal Transport Plan, representing the optimal coupling between two distributions. Under sharp assumptions on the distributions, we prove that our model eliminates the fake solution issue and correctly solves the OT problem. Our experiments show that the OTP model recovers the optimal transport map where existing methods fail and outperforms current OT-based models in image-to-image translation tasks. Notably, the OTP model can learn stochastic transport maps when deterministic OT Maps do not exist, such as one-to-many tasks like colorization.

cs.LG↗

arXiv2025

Reweighted Flow Matching via Unbalanced OT for Label-free Long-tailed Generation

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.

cs.LG↗

arXiv2025

Unsupervised Point Cloud Completion through Unbalanced Optimal Transport

Unpaired point cloud completion is crucial for real-world applications, where ground-truth data for complete point clouds are often unavailable. By learning a completion map from unpaired incomplete and complete point cloud data, this task avoids the reliance on paired datasets. In this paper, we propose the \textit{Unbalanced Optimal Transport Map for Unpaired Point Cloud Completion (\textbf{UOT-UPC})} model, which formulates the unpaired completion task as the (Unbalanced) Optimal Transport (OT) problem. Our method employs a Neural OT model learning the UOT map using neural networks. Our model is the first attempt to leverage UOT for unpaired point cloud completion, achieving competitive or superior performance on both single-category and multi-category benchmarks. In particular, our approach is especially robust under the class imbalance problem, which is frequently encountered in real-world unpaired point cloud completion scenarios. The code is available at https://github.com/LEETK99/UOT-UPC.

cs.CV↗

arXiv2025

Robust Barycenter Estimation using Semi-Unbalanced Neural Optimal Transport

Aggregating data from multiple sources can be formalized as an Optimal Transport (OT) barycenter problem, which seeks to compute the average of probability distributions with respect to OT discrepancies. However, in real-world scenarios, the presence of outliers and noise in the data measures can significantly hinder the performance of traditional statistical methods for estimating OT barycenters. To address this issue, we propose a novel scalable approach for estimating the robust continuous barycenter, leveraging the dual formulation of the (semi-)unbalanced OT problem. To the best of our knowledge, this paper is the first attempt to develop an algorithm for robust barycenters under the continuous distribution setup. Our method is framed as a min-max optimization problem and is adaptable to general cost functions. We rigorously establish the theoretical underpinnings of the proposed method and demonstrate its robustness to outliers and class imbalance through a number of illustrative experiments. Our source code is publicly available at https://github.com/milenagazdieva/U-NOTBarycenters.

stat.ML↗

arXiv2025

Improving Neural Optimal Transport via Displacement Interpolation

Optimal Transport (OT) theory investigates the cost-minimizing transport map that moves a source distribution to a target distribution. Recently, several approaches have emerged for learning the optimal transport map for a given cost function using neural networks. We refer to these approaches as the OT Map. OT Map provides a powerful tool for diverse machine learning tasks, such as generative modeling and unpaired image-to-image translation. However, existing methods that utilize max-min optimization often experience training instability and sensitivity to hyperparameters. In this paper, we propose a novel method to improve stability and achieve a better approximation of the OT Map by exploiting displacement interpolation, dubbed Displacement Interpolation Optimal Transport Model (DIOTM). We derive the dual formulation of displacement interpolation at specific time $t$ and prove how these dual problems are related across time. This result allows us to utilize the entire trajectory of displacement interpolation in learning the OT Map. Our method improves the training stability and achieves superior results in estimating optimal transport maps. We demonstrate that DIOTM outperforms existing OT-based models on image-to-image translation tasks.

cs.LG↗

arXiv2024

Dynamic technology impact analysis: A multi-task learning approach to patent citation prediction

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.

cs.LG↗

arXiv2024

Novelty-focused R&D landscaping using transformer and local outlier factor

While numerous studies have explored the field of research and development (R&D) landscaping, the preponderance of these investigations has emphasized predictive analysis based on R&D outcomes, specifically patents, and academic literature. However, the value of research proposals and novelty analysis has seldom been addressed. This study proposes a systematic approach to constructing and navigating the R&D landscape that can be utilized to guide organizations to respond in a reproducible and timely manner to the challenges presented by increasing number of research proposals. At the heart of the proposed approach is the composite use of the transformer-based language model and the local outlier factor (LOF). The semantic meaning of the research proposals is captured with our further-trained transformers, thereby constructing a comprehensive R&D landscape. Subsequently, the novelty of the newly selected research proposals within the annual landscape is quantified on a numerical scale utilizing the LOF by assessing the dissimilarity of each proposal to others preceding and within the same year. A case study examining research proposals in the energy and resource sector in South Korea is presented. The systematic process and quantitative outcomes are expected to be useful decision-support tools, providing future insights regarding R&D planning and roadmapping.

cs.CL↗

arXiv2024

Scalable Simulation-free Entropic Unbalanced Optimal Transport

The Optimal Transport (OT) problem investigates a transport map that connects two distributions while minimizing a given cost function. Finding such a transport map has diverse applications in machine learning, such as generative modeling and image-to-image translation. In this paper, we introduce a scalable and simulation-free approach for solving the Entropic Unbalanced Optimal Transport (EUOT) problem. We derive the dynamical form of this EUOT problem, which is a generalization of the Schrödinger bridges (SB) problem. Based on this, we derive dual formulation and optimality conditions of the EUOT problem from the stochastic optimal control interpretation. By leveraging these properties, we propose a simulation-free algorithm to solve EUOT, called Simulation-free EUOT (SF-EUOT). While existing SB models require expensive simulation costs during training and evaluation, our model achieves simulation-free training and one-step generation by utilizing the reciprocal property. Our model demonstrates significantly improved scalability in generative modeling and image-to-image translation tasks compared to previous SB methods.

cs.LG↗

arXiv2024

Learning a Patent-Informed Biomedical Knowledge Graph Reveals Technological Potential of Drug Repositioning Candidates

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.

cs.AI↗

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.

cs.CL↗