arXiv subjects

Yikun Bai

Publications and source records attributed to Yikun Bai.

At least 19 recordsLinked to original sources

arXiv2026

GraspMeanFlow: SE(3)-Equivariant MeanFlow for Few-Step 6-DoF Grasp Generation

Recent data-driven methods for synthesizing 6-DoF grasp poses use generative models to learn complex grasp pose distributions and generate diverse candidate poses. In particular, SE(3)-equivariant flow-based models generate grasp poses that transform consistently with object rotations and translations. However, these methods sample by iterative numerical integration, requiring tens of function evaluations per grasp and limiting their use in real-time manipulation. We propose GraspMeanFlow, an SE(3)-equivariant MeanFlow framework for few-step 6-DoF grasp generation. Our method learns the average velocity over a finite time interval, defined through the time-ordered exponential so that it reproduces exactly the rigid-body displacement accumulated over that interval. We prove that a point-cloud-conditioned distribution transported by an equivariant average-velocity flow map remains invariant, so equivariance is retained under few-step sampling, and we condition the field on a pair of times by lifting both to equivariant vectors, leaving the backbone otherwise unchanged. For stable training, we pair a flow-matching boundary term with either of two consistency terms: the differential MeanFlow identity, whose target requires a Jacobian-vector product, or an equivalent semigroup loss that avoids it. Experiments on ACRONYM show that a single function evaluation of GraspMeanFlow reaches the EMD that an iterative SE(3) flow model needs five steps to approach, that a second instantiation of the same framework improves grasp success by up to 24.3 points in the few-step regime, and that both generate grasp distributions transforming exactly with the object.

cs.RO↗

arXiv2026

SE(3)-MeanFlow: Few-Step Protein Backbone Generation on Lie Groups

Generative modeling of protein backbones promises the de novo design of proteins with prescribed structural and functional properties. Existing diffusion and flow-matching models produce high-quality backbones on SE(3)^N, but inference requires numerically integrating an ODE over hundreds of network evaluations, each involving a Lie group exponential map - a bottleneck for high-throughput design campaigns. We introduce SE(3)-MeanFlow, a few-step generative framework that extends MeanFlow from Euclidean space to the Lie group geometry of protein frames. Working natively in the Lie algebra so(3) and in R^3, we derive closed-form average-velocity identities for rotations and translations, giving simulation-free training targets. We further introduce an SE(3) alpha-Flow objective that removes the Jacobian-vector product from the rotation branch and serves as a warm-up stage, after which training switches to a small-t stabilized MeanFlow loss that is used for the remainder of pretraining and for rectification-based post-training. In protein backbone generation, SE(3)-MeanFlow matches or exceeds flow-matching baselines that use several times more sampling steps, and its advantage widens in the few-step regime, where rectification lets it lead at every matched budget - at a modest cost in diversity.

cs.LG↗

arXiv2026

Sinkhorn-Drifting Generative Models

We establish a theoretical link between the recently proposed "drifting" generative dynamics and gradient flows induced by the Sinkhorn divergence. In a particle discretization, the drift field admits a cross-minus-self decomposition: an attractive term toward the target distribution and a repulsive/self-correction term toward the current model, both expressed via one-sided normalized Gibbs kernels. We show that Sinkhorn divergence yields an analogous cross-minus-self structure, but with each term defined by entropic optimal-transport couplings obtained through two-sided Sinkhorn scaling (i.e., enforcing both marginals). This provides a precise sense in which drifting acts as a surrogate for a Sinkhorn-divergence gradient flow, interpolating between one-sided normalization and full two-sided Sinkhorn scaling. Crucially, this connection resolves an identifiability gap in prior drifting formulations: leveraging the definiteness of the Sinkhorn divergence, we show that zero drift (equilibrium of the dynamics) implies that the model and target measures match. Experiments show that Sinkhorn drifting reduces sensitivity to kernel temperature and improves one-step generative quality, trading off additional training time for a more stable optimization, without altering the inference procedure used by drift methods. These theoretical gains translate to strong low-temperature improvements in practice: on FFHQ-ALAE at the lowest temperature setting we evaluate, Sinkhorn drifting reduces mean FID from 187.7 to 37.1 and mean latent EMD from 453.3 to 144.4, while on MNIST it preserves full class coverage across the temperature sweep. Project page: https://mint-vu.github.io/SinkhornDrifting/

cs.LG↗

arXiv2026

Generalized Discrete Diffusion with Self-Correction

Self-correction is an effective technique for maintaining parallel sampling in discrete diffusion models with minimal performance degradation. Prior work has explored self-correction at inference time or during post-training; however, such approaches often suffer from limited generalization and may impair reasoning performance. GIDD pioneers pretraining-based self-correction via a multi-step BERT-style uniform-absorbing objective. However, GIDD relies on a continuous interpolation-based pipeline with opaque interactions between uniform transitions and absorbing masks, which complicates hyperparameter tuning and hinders practical performance. In this work, we propose a Self-Correcting Discrete Diffusion (SCDD) model to reformulate pretrained self-correction with explicit state transitions and learn directly in discrete time. Our framework also simplifies the training noise schedule, eliminates a redundant remasking step, and relies exclusively on uniform transitions to learn self-correction. Experiments at the GPT-2 scale demonstrate that our method enables more efficient parallel decoding while preserving generation quality.

cs.LG↗

arXiv2025

LUNA: Linear Universal Neural Attention with Generalization Guarantees

Scaling attention faces a critical bottleneck: the $\mathcal{O}(n^2)$ quadratic computational cost of softmax attention, which limits its application in long-sequence domains. While linear attention mechanisms reduce this cost to $\mathcal{O}(n)$, they typically rely on fixed random feature maps, such as random Fourier features or hand-crafted functions. This reliance on static, data-agnostic kernels creates a fundamental trade-off, forcing practitioners to sacrifice significant model accuracy for computational efficiency. We introduce \textsc{LUNA}, a kernelized linear attention mechanism that eliminates this trade-off, retaining linear cost while matching and surpassing the accuracy of quadratic attention. \textsc{LUNA} is built on the key insight that the kernel feature map itself should be learned rather than fixed a priori. By parameterizing the kernel, \textsc{LUNA} learns a feature basis tailored to the specific data and task, overcoming the expressive limitations of fixed-feature methods. \textsc{Luna} implements this with a learnable feature map that induces a positive-definite kernel and admits a streaming form, yielding linear time and memory scaling in the sequence length. Empirical evaluations validate our approach across diverse settings. On the Long Range Arena (LRA), \textsc{Luna} achieves state-of-the-art average accuracy among efficient Transformers under compute parity, using the same parameter count, training steps, and approximate FLOPs. \textsc{Luna} also excels at post-hoc conversion: replacing softmax in fine-tuned BERT and ViT-B/16 checkpoints and briefly fine-tuning recovers most of the original performance, substantially outperforming fixed linearizations.

cs.LG↗

arXiv2025

LOTFormer: Doubly-Stochastic Linear Attention via Low-Rank Optimal Transport

Transformers have proven highly effective across modalities, but standard softmax attention scales quadratically with sequence length, limiting long context modeling. Linear attention mitigates this by approximating attention with kernel feature maps, yet most attention mechanisms remain row normalized and can over concentrate mass on a few tokens, harming robustness and information flow. Doubly stochastic attention counteracts this by balancing token participation across both rows and columns, but existing approaches often add significant overhead. We propose LOTFormer, a linear time doubly stochastic attention mechanism derived from an optimal transport view of attention as a coupling between query and key measures. LOTFormer enforces a low rank transport plan by conditioning on a learnable pivot measure with small support. We solve two entropic transport problems, queries to pivot and pivot to keys, and compose them into a conditional coupling that is provably doubly stochastic, has rank at most $r \ll n$, and applies to values in $O(nr)$ time without forming the full $n \times n$ matrix. The pivot locations and masses are learned end-to-end. Across vision and text benchmarks, LOTFormer delivers strong accuracy efficiency tradeoffs when plugged into standard backbones including Swin, DeiT, and BERT.

cs.LG↗

arXiv2025

OT-MeanFlow3D: Bridging Optimal Transport and Meanflow for Efficient 3D Point Cloud Generation

Flow-matching models have recently emerged as a powerful framework for continuous generative modeling, including 3D point cloud synthesis. However, their deployment is limited by the need for multiple sequential sampling steps at inference time. MeanFlow enables single-step generation and significantly accelerates inference, but often struggles to approximate the trajectories of the original multi-step flow, leading to degraded sample quality. In this work, we propose an Optimal Transport-enhanced MeanFlow framework (OT-MF3D) for efficient and accurate 3D point cloud generation and completion. By incorporating optimal transport-based sampling, our method better preserves the geometric and distributional structure of the underlying multi-step flow while retaining single-step inference. Experiments on ShapeNet show improved generation and completion quality compared to recent baselines, while reducing training and inference costs relative to conventional diffusion and flow-based models.

cs.LG↗

arXiv2025

Fused Partial Gromov-Wasserstein for Structured Objects

Structured data, such as graphs, is vital in machine learning due to its capacity to capture complex relationships and interactions. In recent years, the Fused Gromov-Wasserstein (FGW) distance has attracted growing interest because it enables the comparison of structured data by jointly accounting for feature similarity and geometric structure. However, as a variant of optimal transport (OT), classical FGW assumes an equal mass constraint on the compared data. In this work, we relax this mass constraint and propose the Fused Partial Gromov-Wasserstein (FPGW) framework, which extends FGW to accommodate unbalanced data. Theoretically, we establish the relationship between FPGW and FGW and prove the metric properties of FPGW. Numerically, we introduce Frank-Wolfe solvers and Sinkhorn solvers for the proposed FPGW framework. Finally, we evaluate the FPGW distance through graph matching, graph classification and graph clustering experiments, demonstrating its robust performance.

cs.LG↗

arXiv2024

Understanding Learning with Sliced-Wasserstein Requires Rethinking Informative Slices

The practical applications of Wasserstein distances (WDs) are constrained by their sample and computational complexities. Sliced-Wasserstein distances (SWDs) provide a workaround by projecting distributions onto one-dimensional subspaces, leveraging the more efficient, closed-form WDs for one-dimensional distributions. However, in high dimensions, most random projections become uninformative due to the concentration of measure phenomenon. Although several SWD variants have been proposed to focus on \textit{informative} slices, they often introduce additional complexity, numerical instability, and compromise desirable theoretical (metric) properties of SWD. Amidst the growing literature that focuses on directly modifying the slicing distribution, which often face challenges, we revisit the classical Sliced-Wasserstein and propose instead to rescale the 1D Wasserstein to make all slices equally informative. Importantly, we show that with an appropriate data assumption and notion of \textit{slice informativeness}, rescaling for all individual slices simplifies to \textbf{a single global scaling factor} on the SWD. This, in turn, translates to the standard learning rate search for gradient-based learning in common machine learning workflows. We perform extensive experiments across various machine learning tasks showing that the classical SWD, when properly configured, can often match or surpass the performance of more complex variants. We then answer the following question: "Is Sliced-Wasserstein all you need for common learning tasks?"

cs.LG↗

arXiv2024

Linear Spherical Sliced Optimal Transport: A Fast Metric for Comparing Spherical Data

Efficient comparison of spherical probability distributions becomes important in fields such as computer vision, geosciences, and medicine. Sliced optimal transport distances, such as spherical and stereographic spherical sliced Wasserstein distances, have recently been developed to address this need. These methods reduce the computational burden of optimal transport by slicing hyperspheres into one-dimensional projections, i.e., lines or circles. Concurrently, linear optimal transport has been proposed to embed distributions into $ L^2 $ spaces, where the $ L^2 $ distance approximates the optimal transport distance, thereby simplifying comparisons across multiple distributions. In this work, we introduce the Linear Spherical Sliced Optimal Transport (LSSOT) framework, which utilizes slicing to embed spherical distributions into $ L^2 $ spaces while preserving their intrinsic geometry, offering a computationally efficient metric for spherical probability measures. We establish the metricity of LSSOT and demonstrate its superior computational efficiency in applications such as cortical surface registration, 3D point cloud interpolation via gradient flow, and shape embedding. Our results demonstrate the significant computational benefits and high accuracy of LSSOT in these applications.

cs.LG↗

arXiv2024

Linear Partial Gromov-Wasserstein Embedding

The Gromov-Wasserstein (GW) problem, a variant of the classical optimal transport (OT) problem, has attracted growing interest in the machine learning and data science communities due to its ability to quantify similarity between measures in different metric spaces. However, like the classical OT problem, GW imposes an equal mass constraint between measures, which restricts its application in many machine learning tasks. To address this limitation, the partial Gromov-Wasserstein (PGW) problem has been introduced. It relaxes the equal mass constraint, allowing the comparison of general positive Radon measures. Despite this, both GW and PGW face significant computational challenges due to their non-convex nature. To overcome these challenges, we propose the linear partial Gromov-Wasserstein (LPGW) embedding, a linearized embedding technique for the PGW problem. For $K$ different metric measure spaces, the pairwise computation of the PGW distance requires solving the PGW problem ${O}(K^2)$ times. In contrast, the proposed linearization technique reduces this to ${O}(K)$ times. Similar to the linearization technique for the classical OT problem, we prove that LPGW defines a valid metric for metric measure spaces. Finally, we demonstrate the effectiveness of LPGW in practical applications such as shape retrieval and learning with transport-based embeddings, showing that LPGW preserves the advantages of PGW in partial matching while significantly enhancing computational efficiency. The code is available at https://github.com/mint-vu/Linearized_Partial_Gromov_Wasserstein.

cs.LG↗

arXiv2024

Expected Sliced Transport Plans

The optimal transport (OT) problem has gained significant traction in modern machine learning for its ability to: (1) provide versatile metrics, such as Wasserstein distances and their variants, and (2) determine optimal couplings between probability measures. To reduce the computational complexity of OT solvers, methods like entropic regularization and sliced optimal transport have been proposed. The sliced OT framework improves efficiency by comparing one-dimensional projections (slices) of high-dimensional distributions. However, despite their computational efficiency, sliced-Wasserstein approaches lack a transportation plan between the input measures, limiting their use in scenarios requiring explicit coupling. In this paper, we address two key questions: Can a transportation plan be constructed between two probability measures using the sliced transport framework? If so, can this plan be used to define a metric between the measures? We propose a "lifting" operation to extend one-dimensional optimal transport plans back to the original space of the measures. By computing the expectation of these lifted plans, we derive a new transportation plan, termed expected sliced transport (EST) plans. We prove that using the EST plan to weight the sum of the individual Euclidean costs for moving from one point to another results in a valid metric between the input discrete probability measures. We demonstrate the connection between our approach and the recently proposed min-SWGG, along with illustrative numerical examples that support our theoretical findings.

cs.LG↗

arXiv2024

Sinkhorn algorithms and linear programming solvers for optimal partial transport problems

In this note, we generalize the classical optimal partial transport (OPT) problem by modifying the mass destruction/creation term to function-based terms, introducing what we term ``generalized optimal partial transport'' problems. We then discuss the dual formulation of these problems and the associated Sinkhorn solver. Finally, we explore how these new OPT problems relate to classical optimal transport (OT) problems and introduce a linear programming solver tailored for these generalized scenarios.

math.OC↗

arXiv2024

Stereographic Spherical Sliced Wasserstein Distances

Comparing spherical probability distributions is of great interest in various fields, including geology, medical domains, computer vision, and deep representation learning. The utility of optimal transport-based distances, such as the Wasserstein distance, for comparing probability measures has spurred active research in developing computationally efficient variations of these distances for spherical probability measures. This paper introduces a high-speed and highly parallelizable distance for comparing spherical measures using the stereographic projection and the generalized Radon transform, which we refer to as the Stereographic Spherical Sliced Wasserstein (S3W) distance. We carefully address the distance distortion caused by the stereographic projection and provide an extensive theoretical analysis of our proposed metric and its rotationally invariant variation. Finally, we evaluate the performance of the proposed metrics and compare them with recent baselines in terms of both speed and accuracy through a wide range of numerical studies, including gradient flows and self-supervised learning. Our code is available at https://github.com/mint-vu/s3wd.

cs.LG↗

arXiv2024

Linear Optimal Partial Transport Embedding

Optimal transport (OT) has gained popularity due to its various applications in fields such as machine learning, statistics, and signal processing. However, the balanced mass requirement limits its performance in practical problems. To address these limitations, variants of the OT problem, including unbalanced OT, Optimal partial transport (OPT), and Hellinger Kantorovich (HK), have been proposed. In this paper, we propose the Linear optimal partial transport (LOPT) embedding, which extends the (local) linearization technique on OT and HK to the OPT problem. The proposed embedding allows for faster computation of OPT distance between pairs of positive measures. Besides our theoretical contributions, we demonstrate the LOPT embedding technique in point-cloud interpolation and PCA analysis.

cs.LG↗

arXiv2024

Partial Gromov-Wasserstein Metric

The Gromov-Wasserstein (GW) distance has gained increasing interest in the machine learning community in recent years, as it allows for the comparison of measures in different metric spaces. To overcome the limitations imposed by the equal mass requirements of the classical GW problem, researchers have begun exploring its application in unbalanced settings. However, Unbalanced GW (UGW) can only be regarded as a discrepancy rather than a rigorous metric/distance between two metric measure spaces (mm-spaces). In this paper, we propose a particular case of the UGW problem, termed Partial Gromov-Wasserstein (PGW). We establish that PGW is a well-defined metric between mm-spaces and discuss its theoretical properties, including the existence of a minimizer for the PGW problem and the relationship between PGW and GW, among others. We then propose two variants of the Frank-Wolfe algorithm for solving the PGW problem and show that they are mathematically and computationally equivalent. Moreover, based on our PGW metric, we introduce the analogous concept of barycenters for mm-spaces. Finally, we validate the effectiveness of our PGW metric and related solvers in applications such as shape matching, shape retrieval, and shape interpolation, comparing them against existing baselines. Our code is available at https://github.com/mint-vu/PGW_Metric.

cs.LG↗

arXiv2023

LCOT: Linear circular optimal transport

The optimal transport problem for measures supported on non-Euclidean spaces has recently gained ample interest in diverse applications involving representation learning. In this paper, we focus on circular probability measures, i.e., probability measures supported on the unit circle, and introduce a new computationally efficient metric for these measures, denoted as Linear Circular Optimal Transport (LCOT). The proposed metric comes with an explicit linear embedding that allows one to apply Machine Learning (ML) algorithms to the embedded measures and seamlessly modify the underlying metric for the ML algorithm to LCOT. We show that the proposed metric is rooted in the Circular Optimal Transport (COT) and can be considered the linearization of the COT metric with respect to a fixed reference measure. We provide a theoretical analysis of the proposed metric and derive the computational complexities for pairwise comparison of circular probability measures. Lastly, through a set of numerical experiments, we demonstrate the benefits of LCOT in learning representations of circular measures.

cs.LG↗

arXiv2023

Partial Transport for Point-Cloud Registration

Point cloud registration plays a crucial role in various fields, including robotics, computer graphics, and medical imaging. This process involves determining spatial relationships between different sets of points, typically within a 3D space. In real-world scenarios, complexities arise from non-rigid movements and partial visibility, such as occlusions or sensor noise, making non-rigid registration a challenging problem. Classic non-rigid registration methods are often computationally demanding, suffer from unstable performance, and, importantly, have limited theoretical guarantees. The optimal transport problem and its unbalanced variations (e.g., the optimal partial transport problem) have emerged as powerful tools for point-cloud registration, establishing a strong benchmark in this field. These methods view point clouds as empirical measures and provide a mathematically rigorous way to quantify the `correspondence' between (the transformed) source and target points. In this paper, we approach the point-cloud registration problem through the lens of optimal transport theory and first propose a comprehensive set of non-rigid registration methods based on the optimal partial transportation problem. Subsequently, leveraging the emerging work on efficient solutions to the one-dimensional optimal partial transport problem, we extend our proposed algorithms via slicing to gain significant computational efficiency, resulting in fast and robust non-rigid registration algorithms. We demonstrate the effectiveness of our proposed methods and compare them against baselines on various 3D and 2D non-rigid registration problems where the source and target point clouds are corrupted by random noise.

cs.CV↗