在这里，我们提出了一种称为歧管插值最佳传输流量（MIOFLOW）的方法，该方法从零星时间点上采集的静态快照样品中学习随机，连续的种群动力学。 Mioflow结合了动态模型，流动学习和通过训练神经普通微分方程（神经ode）的最佳运输，以在静态种群快照之间插值，以通过具有歧管地面距离的最佳运输来惩罚。此外，我们通过在自动编码器的潜在空间中运行我们称为Geodesic AutoCododer（GAE）来确保流量遵循几何形状。在GAE中，正规化了点之间的潜在空间距离，以匹配我们定义的数据歧管上的新型多尺度测量距离。我们表明，这种方法优于正常流，Schr \“ Odinger Bridges和其他旨在根据人群之间插值的噪声流向数据的生成模型。从理论上讲，我们将这些轨迹与动态最佳运输联系起来。我们评估了我们的评估使用分叉和合并的模拟数据，以及来自胚胎身体分化和急性髓样白血病的SCRNA-SEQ数据。

人口动态是对生物种群大小的时间和空间变化的研究，是人口生态学的主要部分。分析人口动态的主要困难之一是，由于实验成本或测量限制，我们只能从固定点观察值中获得粗略的时间间隔的观察数据。最近，已经提出，通过使用连续归一化流（CNF）和动态最佳运输来对种群动力学进行建模，以从观察到的人群中推断样品轨迹。尽管CNF中的样本行为是确定性的，但生物系统中的实际样本以本质上随机但方向性的方式移动。此外，当样本从点A中的点移动到动力学系统中B点B时，其轨迹通常遵循最小动作的原理，在该原理中，相应的动作具有最小的可能值。为了满足样品轨迹的这些要求，我们制定了Lagrangian Schr \“ Odinger Bridge（LSB）问题，并提议将其近似于使用神经SDE和正则化解决。我们还开发了一个模型体系结构，可以更快地计算。实验结果表明，该结果表明，该模型表明，提出的方法即使对于高维数据也可以有效地近似人口级动力学，并且使用拉格朗日引入的先验知识使我们能够估算具有随机行为的单个样本的轨迹。

考虑随时间演变的粒子群，通过快照监测，使用在连续时间戳的群体内采样的粒子。仅提供对这些快照的访问，我们可以重建这些粒子的单个轨迹吗？这个问题在我们时代的许多重要科学挑战中，特别是单细胞基因组学。在本文中，我们建议将人口动态模拟为欧洲因果乔丹 - 古德莱尔 - 奥托（JKO）的措施的实现：JKO计划陷入困境，即在时间T + 1的人口采取的新配置是交易的新配置在它减少能量的情况下，群体的更好配置，同时保持关闭（在Wasserstein距离）到在T.中观察到的先前配置。我们在这项工作中的目标是学习这样的能源给定数据。为此，我们提出了JKONET，一种计算的神经结构（以端到端可分子的方式），JKO流量给出了参数化能量和初始配置点。与更直接的前进方法相比，我们展示了JKONET配件程序的良好性能和稳健性。

We introduce an optimal transport-based model for learning a metric tensor from cross-sectional samples of evolving probability measures on a common Riemannian manifold. We neurally parametrize the metric as a spatially-varying matrix field and efficiently optimize our model's objective using a simple alternating scheme. Using this learned metric, we can nonlinearly interpolate between probability measures and compute geodesics on the manifold. We show that metrics learned using our method improve the quality of trajectory inference on scRNA and bird migration data at the cost of little additional cross-sectional data.

我们提出了整流的流程，这是一种令人惊讶的简单学习方法（神经）的普通微分方程（ODE）模型，用于在两个经验观察到的分布\ pi_0和\ pi_1之间运输，因此为生成建模和域转移提供了统一的解决方案，以及其他各种任务。涉及分配运输。整流流的想法是学习ode，以遵循尽可能多的连接从\ pi_0和\ pi_1的直径。这是通过解决直接的非线性最小二乘优化问题来实现的，该问题可以轻松地缩放到大型模型，而无需在标准监督学习之外引入额外的参数。直径是特殊的，因此是特殊的，因为它们是两个点之间的最短路径，并且可以精确模拟而无需时间离散，因此可以在计算上产生高效的模型。我们表明，从数据（称为整流）中学习的整流流的过程将\ pi_0和\ pi_1的任意耦合转变为新的确定性耦合，并证明是非侵入的凸面运输成本。此外，递归应用矫正使我们能够获得具有越来越直的路径的流动序列，可以在推理阶段进行粗略的时间离散化来准确地模拟。在实证研究中，我们表明，整流流对图像产生，图像到图像翻译和域的适应性表现出色。特别是，在图像生成和翻译上，我们的方法几乎产生了几乎直流的流，即使是单个Euler离散步骤，也会产生高质量的结果。

轨迹推断旨在从其时间边缘的快照中恢复人群的动态。为了解决这项任务，Lavenant等人引入了相对于路径空间中的Wiener度量的最小渗透估计量。 ARXIV：2102.09204，并显示出从无限尺寸凸优化问题的解决方案中始终如一地恢复大型漂移扩散过程的动力学。在本文中，我们引入了无网算法来计算该估计器。我们的方法包括通过Schr \“ Odinger Bridges耦合的点云家族（每张快照），该桥也随着嘈杂的梯度下降而演变。我们研究了动力学的平均场限制，并证明了其与所需估计量的全局收敛。这导致了一种具有端到端理论保证的推理方法，可以解决轨迹推理的可解释模型。我们还提出了如何调整方法处理质量变化的方法，在处理单个单元RNA序列数据时，这是一个有用的扩展细胞可以分支并死亡。

标准化流动，扩散归一化流量和变形自动置换器是强大的生成模型。在本文中，我们提供了一个统一的框架来通过马尔可夫链处理这些方法。实际上，我们考虑随机标准化流量作为一对马尔可夫链，满足一些属性，并表明许多用于数据生成的最先进模型适合该框架。马尔可夫链的观点使我们能够将确定性层作为可逆的神经网络和随机层作为大都会加速层，Langevin层和变形自身偏移，以数学上的声音方式。除了具有Langevin层的密度的层，扩散层或变形自身形式，也可以处理与确定性层或大都会加热器层没有密度的层。因此，我们的框架建立了一个有用的数学工具来结合各种方法。

Normalizing flow is a class of deep generative models for efficient sampling and density estimation. In practice, the flow often appears as a chain of invertible neural network blocks; to facilitate training, existing works have regularized flow trajectories and designed special network architectures. The current paper develops a neural ODE flow network inspired by the Jordan-Kinderleherer-Otto (JKO) scheme, which allows efficient block-wise training of the residual blocks and avoids inner loops of score matching or variational learning. As the JKO scheme unfolds the dynamic of gradient flow, the proposed model naturally stacks residual network blocks one-by-one, reducing the memory load and difficulty of performing end-to-end training of deep flow networks. We also develop adaptive time reparameterization of the flow network with a progressive refinement of the trajectory in probability space, which improves the model training efficiency and accuracy in practice. Using numerical experiments with synthetic and real data, we show that the proposed JKO-iFlow model achieves similar or better performance in generating new samples compared with existing flow and diffusion models at a significantly reduced computational and memory cost.

Diffusion models have recently outperformed alternative approaches to model the distribution of natural images, such as GANs. Such diffusion models allow for deterministic sampling via the probability flow ODE, giving rise to a latent space and an encoder map. While having important practical applications, such as estimation of the likelihood, the theoretical properties of this map are not yet fully understood. In the present work, we partially address this question for the popular case of the VP SDE (DDPM) approach. We show that, perhaps surprisingly, the DDPM encoder map coincides with the optimal transport map for common distributions; we support this claim theoretically and by extensive numerical experiments.

尽管存在扩散模型的各种变化，但将线性扩散扩散到非线性扩散过程中仅由几项作品研究。非线性效应几乎没有被理解，但是直觉上，将有更多有希望的扩散模式来最佳地训练生成分布向数据分布。本文介绍了基于分数扩散模型的数据自适应和非线性扩散过程。提出的隐式非线性扩散模型（INDM）通过结合归一化流量和扩散过程来学习非线性扩散过程。具体而言，INDM通过通过流网络利用\ textIt {litex {litex {littent Space}的线性扩散来隐式构建\ textIt {data Space}的非线性扩散。由于非线性完全取决于流网络，因此该流网络是形成非线性扩散的关键。这种灵活的非线性是针对DDPM ++的非MLE训练，将INDM的学习曲线提高到了几乎最大的似然估计（MLE）训练，事实证明，这是具有身份流量的INDM的特殊情况。同样，训练非线性扩散可以通过离散的步骤大小产生采样鲁棒性。在实验中，INDM实现了Celeba的最新FID。

The modeling of probability distributions, specifically generative modeling and density estimation, has become an immensely popular subject in recent years by virtue of its outstanding performance on sophisticated data such as images and texts. Nevertheless, a theoretical understanding of its success is still incomplete. One mystery is the paradox between memorization and generalization: In theory, the model is trained to be exactly the same as the empirical distribution of the finite samples, whereas in practice, the trained model can generate new samples or estimate the likelihood of unseen samples. Likewise, the overwhelming diversity of distribution learning models calls for a unified perspective on this subject. This paper provides a mathematical framework such that all the well-known models can be derived based on simple principles. To demonstrate its efficacy, we present a survey of our results on the approximation error, training error and generalization error of these models, which can all be established based on this framework. In particular, the aforementioned paradox is resolved by proving that these models enjoy implicit regularization during training, so that the generalization error at early-stopping avoids the curse of dimensionality. Furthermore, we provide some new results on landscape analysis and the mode collapse phenomenon.

Wasserstein-Fisher-Rao（WFR）距离是一个指标家族，用于评估两种ra措施的差异，这同时考虑了运输和重量的变化。球形WFR距离是WFR距离的投影版本，以实现概率措施，因此配备了WFR的ra尺度空间可以在概率测量的空间中，用球形WFR视为公式锥。与Wasserstein距离相比，在球形WFR下对大地测量学的理解尚不清楚，并且仍然是持续的研究重点。在本文中，我们开发了一个深度学习框架，以计算球形WFR指标下的大地测量学，并且可以采用学习的大地测量学来生成加权样品。我们的方法基于球形WFR的Benamou-Brenier型动态配方。为了克服重量变化带来的边界约束的困难，将基于反向映射的kullback-leibler（KL）发散术语引入成本函数。此外，引入了使用粒子速度的新的正则化项，以替代汉密尔顿 - 雅各比方程的动态公式中的潜力。当用于样品生成时，与先前的流量模型相比，与给定加权样品的应用相比，我们的框架可能对具有给定加权样品的应用有益。

A normalizing flow (NF) is a mapping that transforms a chosen probability distribution to a normal distribution. Such flows are a common technique used for data generation and density estimation in machine learning and data science. The density estimate obtained with a NF requires a change of variables formula that involves the computation of the Jacobian determinant of the NF transformation. In order to tractably compute this determinant, continuous normalizing flows (CNF) estimate the mapping and its Jacobian determinant using a neural ODE. Optimal transport (OT) theory has been successfully used to assist in finding CNFs by formulating them as OT problems with a soft penalty for enforcing the standard normal distribution as a target measure. A drawback of OT-based CNFs is the addition of a hyperparameter, $\alpha$, that controls the strength of the soft penalty and requires significant tuning. We present JKO-Flow, an algorithm to solve OT-based CNF without the need of tuning $\alpha$. This is achieved by integrating the OT CNF framework into a Wasserstein gradient flow framework, also known as the JKO scheme. Instead of tuning $\alpha$, we repeatedly solve the optimization problem for a fixed $\alpha$ effectively performing a JKO update with a time-step $\alpha$. Hence we obtain a "divide and conquer" algorithm by repeatedly solving simpler problems instead of solving a potentially harder problem with large $\alpha$.

In this paper, we propose Wasserstein Isometric Mapping (Wassmap), a nonlinear dimensionality reduction technique that provides solutions to some drawbacks in existing global nonlinear dimensionality reduction algorithms in imaging applications. Wassmap represents images via probability measures in Wasserstein space, then uses pairwise Wasserstein distances between the associated measures to produce a low-dimensional, approximately isometric embedding. We show that the algorithm is able to exactly recover parameters of some image manifolds including those generated by translations or dilations of a fixed generating measure. Additionally, we show that a discrete version of the algorithm retrieves parameters from manifolds generated from discrete measures by providing a theoretical bridge to transfer recovery results from functional data to discrete data. Testing of the proposed algorithms on various image data manifolds show that Wassmap yields good embeddings compared with other global and local techniques.

Denoising diffusions are state-of-the-art generative models which exhibit remarkable empirical performance and come with theoretical guarantees. The core idea of these models is to progressively transform the empirical data distribution into a simple Gaussian distribution by adding noise using a diffusion. We obtain new samples whose distribution is close to the data distribution by simulating a "denoising" diffusion approximating the time reversal of this "noising" diffusion. This denoising diffusion relies on approximations of the logarithmic derivatives of the noised data densities, known as scores, obtained using score matching. Such models can be easily extended to perform approximate posterior simulation in high-dimensional scenarios where one can only sample from the prior and simulate synthetic observations from the likelihood. These methods have been primarily developed for data on $\mathbb{R}^d$ while extensions to more general spaces have been developed on a case-by-case basis. We propose here a general framework which not only unifies and generalizes this approach to a wide class of spaces but also leads to an original extension of score matching. We illustrate the resulting class of denoising Markov models on various applications.

引入了Wasserstein距离的许多变体，以减轻其原始计算负担。尤其是切成薄片的距离（SW），该距离（SW）利用了一维投影，可以使用封闭式的瓦斯汀距离解决方案。然而，它仅限于生活在欧几里得空间中的数据，而Wasserstein距离已被研究和最近在歧管上使用。我们更具体地专门地关注球体，为此定义了新颖的SW差异，我们称之为球形切片 - 拖鞋，这是朝着定义SW差异的第一步。我们的构造明显基于圆圈上瓦斯汀距离的封闭式解决方案，以及新的球形ra径。除了有效的算法和相应的实现外，我们在几个机器学习用例中说明了它的属性，这些用例中，数据的球形表示受到威胁：在球体上的密度估计，变异推理或超球体自动编码器。

平均场游戏（MFGS）是针对具有大量交互代理的系统的建模框架。他们在经济学，金融和游戏理论中有应用。标准化流（NFS）是一个深层生成模型的家族，通过使用可逆映射来计算数据的可能性，该映射通常通过使用神经网络进行参数化。它们对于密度建模和数据生成很有用。尽管对这两种模型进行了积极的研究，但很少有人注意到两者之间的关系。在这项工作中，我们通过将NF的训练视为解决MFG来揭示MFGS和NFS之间的联系。这是通过根据试剂轨迹重新解决MFG问题的实现，并通过流量体系结构对所得MFG的离散化进行参数化。通过这种联系，我们探讨了两个研究方向。首先，我们采用表达的NF体系结构来准确地求解高维MFG，以避开传统数值方法中维度的诅咒。与其他深度学习方法相比，我们的基于轨迹的公式编码神经网络中的连续性方程，从而更好地近似人口动态。其次，我们对NFS进行运输成本的培训正规，并显示了控制模型Lipschitz绑定的有效性，从而获得了更好的概括性能。我们通过对各种合成和现实生活数据集的全面实验来展示数值结果。

逐步应用高斯噪声将复杂的数据分布转换为大约高斯。逆转此动态定义了一种生成模型。当前进通知过程由随机微分方程（SDE），Song等人提供。 （2021）证明可以使用分数匹配估计相关反向时间SDE的时间不均匀漂移。这种方法的限制是必须在最终分布到高斯的最终分布必须运行前进时间SDE。相反，解决Schr \“odinger桥问题（SB），即路径空间上的熵正常化的最佳运输问题，产生从有限时间内从数据分布产生样本的扩散。我们存在扩散SB（DSB），原始近似迭代比例拟合（IPF）程序来解决SB问题，并提供理论分析以及生成建模实验。第一个DSB迭代恢复Song等人提出的方法。（2021），使用较短时间的灵活性间隔，随后的DSB迭代减少了前进（RESP。后向）SDE的最终时间边际之间的差异，相对于先前（RESP。数据）分布。除了生成的建模之外，DSB提供了广泛适用的计算最优运输工具流行池算法的连续状态空间模拟（Cuturi，2013）。

连续归一化流（CNF）是一类生成模型，可以通过求解普通的微分方程（ODE）将先验分布转换为模型分布。我们建议通过最大程度地减少概率路径差异（PPD）来训练CNF，这是CNF产生的概率密度路径与目标概率密度路径之间的新型差异家族。 PPD是使用对数质量保护公式制定的，该公式是线性的一阶部分微分方程，将对数目标概率和CNF的定义向量场进行配方。 PPD比现有方法具有多个关键好处：它避免了在迭代中解决颂歌的需求，很容易应用于歧管数据，比例到高维度，并与大型目标路径兼容，该目标路径在有限的时间内插值纯噪声和数据。从理论上讲，PPD显示为结合经典概率差异。从经验上讲，我们表明，通过最小化PPD实现最新的CNF在现有的低维歧管基准上获得了最新的可能性和样品质量，并且是生成模型以扩展到中度高维歧管的第一个示例。

Lipschitz regularized f-divergences are constructed by imposing a bound on the Lipschitz constant of the discriminator in the variational representation. They interpolate between the Wasserstein metric and f-divergences and provide a flexible family of loss functions for non-absolutely continuous (e.g. empirical) distributions, possibly with heavy tails. We construct Lipschitz regularized gradient flows on the space of probability measures based on these divergences. Examples of such gradient flows are Lipschitz regularized Fokker-Planck and porous medium partial differential equations (PDEs) for the Kullback-Leibler and alpha-divergences, respectively. The regularization corresponds to imposing a Courant-Friedrichs-Lewy numerical stability condition on the PDEs. For empirical measures, the Lipschitz regularization on gradient flows induces a numerically stable transporter/discriminator particle algorithm, where the generative particles are transported along the gradient of the discriminator. The gradient structure leads to a regularized Fisher information (particle kinetic energy) used to track the convergence of the algorithm. The Lipschitz regularized discriminator can be implemented via neural network spectral normalization and the particle algorithm generates approximate samples from possibly high-dimensional distributions known only from data. Notably, our particle algorithm can generate synthetic data even in small sample size regimes. A new data processing inequality for the regularized divergence allows us to combine our particle algorithm with representation learning, e.g. autoencoder architectures. The resulting algorithm yields markedly improved generative properties in terms of efficiency and quality of the synthetic samples. From a statistical mechanics perspective the encoding can be interpreted dynamically as learning a better mobility for the generative particles.