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Kernel Neural Optimal Transport (2205.15269v2)

Published 30 May 2022 in cs.LG and stat.ML

Abstract: We study the Neural Optimal Transport (NOT) algorithm which uses the general optimal transport formulation and learns stochastic transport plans. We show that NOT with the weak quadratic cost might learn fake plans which are not optimal. To resolve this issue, we introduce kernel weak quadratic costs. We show that they provide improved theoretical guarantees and practical performance. We test NOT with kernel costs on the unpaired image-to-image translation task.

Citations (21)

Summary

  • The paper introduces kernel-based costs replacing weak quadratic costs to eliminate fake transport plans in Neural Optimal Transport.
  • It employs positive definite symmetric kernels to enforce strict convexity and guarantee the uniqueness of the optimal transport solution.
  • Experimental results on image translation tasks demonstrate improved visual fidelity and lower FID scores compared to traditional NOT approaches.

Overview of Kernel Neural Optimal Transport

The paper "Kernel Neural Optimal Transport" presents an advancement in the field of optimal transport (OT) by proposing an improved version of the Neural Optimal Transport (NOT) algorithm. This advancement addresses the problem of "fake" transport plans that NOT can learn under certain conditions, particularly with weak quadratic costs. The authors introduce kernel weak quadratic costs and illustrate how these costs provide better theoretical assurances and superior practical outcomes, especially in the context of unpaired image-to-image translation tasks.

Core Contributions

The primary contribution of the work is the introduction of kernel-based costs to the NOT algorithm. This approach replaces the standard weak quadratic costs with kernel versions, which helps in mitigating the learning of suboptimal transport plans. The proposed kernel costs employ a positive definite symmetric (PDS) kernel, which is demonstrated to lead to a unique optimal transport plan. This uniqueness is a crucial improvement as it eliminates the ambiguity present in the outcomes of the original NOT algorithm.

Key theoretical insights include:

  • Characterization of Weak Costs: The paper demonstrates how weak quadratic costs can lead to erroneous transport plans, which do not fulfill the goal of optimal transport. It explains the conditions under which these "fake" solutions arise and characterizes the sets of such plans.
  • Kernel Cost Formulation: By employing characteristic kernels, the authors propose a cost formulation that ensures strict convexity. This characteristic is pivotal in guaranteeing the uniqueness of the optimal transport plan, thus addressing the core issue of fake plans.

Methodology

The authors formulate the kernel weak quadratic cost by extending the feature space approach in optimal transport. This is done by mapping inputs through a feature map into a higher-dimensional Hilbert space. The resulting kernel cost then incorporates the variance component, maintaining a balance between diversity and similarity in transport distributions.

The algorithmic framework leverages neural networks to approximate potential and transport maps, with a focus on minimizing a saddle point problem. This is achieved using stochastic gradient descent-ascent, which enables efficient optimization over large-scale datasets, particularly relevant for high-dimensional image data.

Experimental Evaluation

The efficacy of the proposed kernel NOT is demonstrated through extensive experiments on image-to-image translation tasks. The results indicate that kernel NOT consistently outperforms the baseline NOT with weak quadratic costs in both qualitative measures (visual fidelity of translated images) and quantitative metrics (e.g., Fréchet Inception Distance, FID). This improvement underscores the practical significance of addressing the ambiguity in stochastic transport plans.

Implications and Future Directions

The implications of this research are substantial for the field of AI, particularly in applications requiring robust probabilistic modeling, such as generative modeling and domain adaptation. By ensuring the uniqueness and optimality of transport plans, the kernel approach broadens the applicability of neural OT in complex, high-dimensional tasks.

Future research could explore several directions:

  • Extension to Diverse Data Domains: While the current work focuses on image data, extending these methods to other types of data (e.g., text, 3D models) could demonstrate the broader applicability of kernel costs.
  • Dynamic Adaptation of Kernel Functions: Investigating adaptive kernel selection mechanisms based on data properties could enhance model performance and reduce computational costs.
  • Theoretical Expansion on Kernel Characteristics: Further theoretical paper on the properties of characteristic kernels in this context could yield insights into new kernel types that might improve efficiency or accuracy.

Conclusion

The introduction of kernel weak quadratic costs into the NOT framework marks a significant step forward in addressing the limitations of stochastic optimal transport plans. This paper's methodological innovations and empirical validations provide a robust foundation for future exploration in neural optimal transport and its applications across AI.