MLJul 7, 2022
Riemannian Diffusion Schrödinger BridgeJames Thornton, Michael Hutchinson, Emile Mathieu et al. · oxford
Score-based generative models exhibit state of the art performance on density estimation and generative modeling tasks. These models typically assume that the data geometry is flat, yet recent extensions have been developed to synthesize data living on Riemannian manifolds. Existing methods to accelerate sampling of diffusion models are typically not applicable in the Riemannian setting and Riemannian score-based methods have not yet been adapted to the important task of interpolation of datasets. To overcome these issues, we introduce \emph{Riemannian Diffusion Schrödinger Bridge}. Our proposed method generalizes Diffusion Schrödinger Bridge introduced in \cite{debortoli2021neurips} to the non-Euclidean setting and extends Riemannian score-based models beyond the first time reversal. We validate our proposed method on synthetic data and real Earth and climate data.
MLJun 15, 2022
Rethinking Initialization of the Sinkhorn AlgorithmJames Thornton, Marco Cuturi · apple-ml
While the optimal transport (OT) problem was originally formulated as a linear program, the addition of entropic regularization has proven beneficial both computationally and statistically, for many applications. The Sinkhorn fixed-point algorithm is the most popular approach to solve this regularized problem, and, as a result, multiple attempts have been made to reduce its runtime using, e.g., annealing in the regularization parameter, momentum or acceleration. The premise of this work is that initialization of the Sinkhorn algorithm has received comparatively little attention, possibly due to two preconceptions: since the regularized OT problem is convex, it may not be worth crafting a good initialization, since any is guaranteed to work; secondly, because the outputs of the Sinkhorn algorithm are often unrolled in end-to-end pipelines, a data-dependent initialization would bias Jacobian computations. We challenge this conventional wisdom, and show that data-dependent initializers result in dramatic speed-ups, with no effect on differentiability as long as implicit differentiation is used. Our initializations rely on closed-forms for exact or approximate OT solutions that are known in the 1D, Gaussian or GMM settings. They can be used with minimal tuning, and result in consistent speed-ups for a wide variety of OT problems.
CLJul 7, 2025
Gemini 2.5: Pushing the Frontier with Advanced Reasoning, Multimodality, Long Context, and Next Generation Agentic CapabilitiesGheorghe Comanici, Eric Bieber, Mike Schaekermann et al. · amazon-science, baidu
In this report, we introduce the Gemini 2.X model family: Gemini 2.5 Pro and Gemini 2.5 Flash, as well as our earlier Gemini 2.0 Flash and Flash-Lite models. Gemini 2.5 Pro is our most capable model yet, achieving SoTA performance on frontier coding and reasoning benchmarks. In addition to its incredible coding and reasoning skills, Gemini 2.5 Pro is a thinking model that excels at multimodal understanding and it is now able to process up to 3 hours of video content. Its unique combination of long context, multimodal and reasoning capabilities can be combined to unlock new agentic workflows. Gemini 2.5 Flash provides excellent reasoning abilities at a fraction of the compute and latency requirements and Gemini 2.0 Flash and Flash-Lite provide high performance at low latency and cost. Taken together, the Gemini 2.X model generation spans the full Pareto frontier of model capability vs cost, allowing users to explore the boundaries of what is possible with complex agentic problem solving.
LGMay 6
On the Wasserstein Gradient Flow Interpretation of Drifting ModelsArthur Gretton, Li Kevin Wenliang, Alexandre Galashov et al.
Recently, Deng et al. (2026) proposed Generative Modeling via Drifting (GMD), a novel framework for generative tasks. This note presents an analysis of GMD through the lens of Wasserstein Gradient Flows (WGF), i.e., the path of steepest descent for a functional in the space of probability measures, equipped with the geometry of optimal transport. Unlike previous WGF-based contributions, GMD can be thought of as directly targeting a fixed point of a specific WGF flow. We demonstrate three main results: first, that one algorithm proposed by Deng et al. (2026) corresponds to finding the limiting point of a WGF on the KL divergence, with Parzen smoothing on the densities. Second, that the algorithm actually implemented by Deng et al. (2026) corresponds to a different procedure, which bears some resemblance to the fixed point of a WGF on the Sinkhorn divergence, but lacks certain desirable properties of the latter. Third, the same same idea can be extended to the limiting point of other WGFs, including the Maximum Mean Discrepancy (MMD), the sliced Wasserstein distance, and GAN critic functions.
LGApr 23, 2025
Target Concrete Score Matching: A Holistic Framework for Discrete DiffusionRuixiang Zhang, Shuangfei Zhai, Yizhe Zhang et al.
Discrete diffusion is a promising framework for modeling and generating discrete data. In this work, we present Target Concrete Score Matching (TCSM), a novel and versatile objective for training and fine-tuning discrete diffusion models. TCSM provides a general framework with broad applicability. It supports pre-training discrete diffusion models directly from data samples, and many existing discrete diffusion approaches naturally emerge as special cases of our more general TCSM framework. Furthermore, the same TCSM objective extends to post-training of discrete diffusion models, including fine-tuning using reward functions or preference data, and distillation of knowledge from pre-trained autoregressive models. These new capabilities stem from the core idea of TCSM, estimating the concrete score of the target distribution, which resides in the original (clean) data space. This allows seamless integration with reward functions and pre-trained models, which inherently only operate in the clean data space rather than the noisy intermediate spaces of diffusion processes. Our experiments on language modeling tasks demonstrate that TCSM matches or surpasses current methods. Additionally, TCSM is versatile, applicable to both pre-training and post-training scenarios, offering greater flexibility and sample efficiency.
MLFeb 18, 2025
Composition and Control with Distilled Energy Diffusion Models and Sequential Monte CarloJames Thornton, Louis Bethune, Ruixiang Zhang et al. · apple-ml, stanford
Diffusion models may be formulated as a time-indexed sequence of energy-based models, where the score corresponds to the negative gradient of an energy function. As opposed to learning the score directly, an energy parameterization is attractive as the energy itself can be used to control generation via Monte Carlo samplers. Architectural constraints and training instability in energy parameterized models have so far yielded inferior performance compared to directly approximating the score or denoiser. We address these deficiencies by introducing a novel training regime for the energy function through distillation of pre-trained diffusion models, resembling a Helmholtz decomposition of the score vector field. We further showcase the synergies between energy and score by casting the diffusion sampling procedure as a Feynman Kac model where sampling is controlled using potentials from the learnt energy functions. The Feynman Kac model formalism enables composition and low temperature sampling through sequential Monte Carlo.
LGFeb 6, 2025
Mechanisms of Projective Composition of Diffusion ModelsArwen Bradley, Preetum Nakkiran, David Berthelot et al. · apple-ml, stanford
We study the theoretical foundations of composition in diffusion models, with a particular focus on out-of-distribution extrapolation and length-generalization. Prior work has shown that composing distributions via linear score combination can achieve promising results, including length-generalization in some cases (Du et al., 2023; Liu et al., 2022). However, our theoretical understanding of how and why such compositions work remains incomplete. In fact, it is not even entirely clear what it means for composition to "work". This paper starts to address these fundamental gaps. We begin by precisely defining one possible desired result of composition, which we call projective composition. Then, we investigate: (1) when linear score combinations provably achieve projective composition, (2) whether reverse-diffusion sampling can generate the desired composition, and (3) the conditions under which composition fails. We connect our theoretical analysis to prior empirical observations where composition has either worked or failed, for reasons that were unclear at the time. Finally, we propose a simple heuristic to help predict the success or failure of new compositions.
LGFeb 5, 2024
Careful with that Scalpel: Improving Gradient Surgery with an EMAYu-Guan Hsieh, James Thornton, Eugene Ndiaye et al.
Beyond minimizing a single training loss, many deep learning estimation pipelines rely on an auxiliary objective to quantify and encourage desirable properties of the model (e.g. performance on another dataset, robustness, agreement with a prior). Although the simplest approach to incorporating an auxiliary loss is to sum it with the training loss as a regularizer, recent works have shown that one can improve performance by blending the gradients beyond a simple sum; this is known as gradient surgery. We cast the problem as a constrained minimization problem where the auxiliary objective is minimized among the set of minimizers of the training loss. To solve this bilevel problem, we follow a parameter update direction that combines the training loss gradient and the orthogonal projection of the auxiliary gradient to the training gradient. In a setting where gradients come from mini-batches, we explain how, using a moving average of the training loss gradients, we can carefully maintain this critical orthogonality property. We demonstrate that our method, Bloop, can lead to much better performances on NLP and vision experiments than other gradient surgery methods without EMA.
MLJun 12, 2024
Differentiable Cost-Parameterized Monge Map EstimatorsSamuel Howard, George Deligiannidis, Patrick Rebeschini et al.
Within the field of optimal transport (OT), the choice of ground cost is crucial to ensuring that the optimality of a transport map corresponds to usefulness in real-world applications. It is therefore desirable to use known information to tailor cost functions and hence learn OT maps which are adapted to the problem at hand. By considering a class of neural ground costs whose Monge maps have a known form, we construct a differentiable Monge map estimator which can be optimized to be consistent with known information about an OT map. In doing so, we simultaneously learn both an OT map estimator and a corresponding adapted cost function. Through suitable choices of loss function, our method provides a general approach for incorporating prior information about the Monge map itself when learning adapted OT maps and cost functions.
MLJun 7, 2024
Progressive Entropic Optimal Transport SolversParnian Kassraie, Aram-Alexandre Pooladian, Michal Klein et al.
Optimal transport (OT) has profoundly impacted machine learning by providing theoretical and computational tools to realign datasets. In this context, given two large point clouds of sizes $n$ and $m$ in $\mathbb{R}^d$, entropic OT (EOT) solvers have emerged as the most reliable tool to either solve the Kantorovich problem and output a $n\times m$ coupling matrix, or to solve the Monge problem and learn a vector-valued push-forward map. While the robustness of EOT couplings/maps makes them a go-to choice in practical applications, EOT solvers remain difficult to tune because of a small but influential set of hyperparameters, notably the omnipresent entropic regularization strength $\varepsilon$. Setting $\varepsilon$ can be difficult, as it simultaneously impacts various performance metrics, such as compute speed, statistical performance, generalization, and bias. In this work, we propose a new class of EOT solvers (ProgOT), that can estimate both plans and transport maps. We take advantage of several opportunities to optimize the computation of EOT solutions by dividing mass displacement using a time discretization, borrowing inspiration from dynamic OT formulations, and conquering each of these steps using EOT with properly scheduled parameters. We provide experimental evidence demonstrating that ProgOT is a faster and more robust alternative to standard solvers when computing couplings at large scales, even outperforming neural network-based approaches. We also prove statistical consistency of our approach for estimating optimal transport maps.
LGFeb 6, 2022
Riemannian Score-Based Generative ModellingValentin De Bortoli, Emile Mathieu, Michael Hutchinson et al.
Score-based generative models (SGMs) are a powerful class of generative models that exhibit remarkable empirical performance. Score-based generative modelling (SGM) consists of a ``noising'' stage, whereby a diffusion is used to gradually add Gaussian noise to data, and a generative model, which entails a ``denoising'' process defined by approximating the time-reversal of the diffusion. Existing SGMs assume that data is supported on a Euclidean space, i.e. a manifold with flat geometry. In many domains such as robotics, geoscience or protein modelling, data is often naturally described by distributions living on Riemannian manifolds and current SGM techniques are not appropriate. We introduce here Riemannian Score-based Generative Models (RSGMs), a class of generative models extending SGMs to Riemannian manifolds. We demonstrate our approach on a variety of manifolds, and in particular with earth and climate science spherical data.
CONov 14, 2021
Simulating Diffusion Bridges with Score MatchingJeremy Heng, Valentin De Bortoli, Arnaud Doucet et al.
We consider the problem of simulating diffusion bridges, which are diffusion processes that are conditioned to initialize and terminate at two given states. The simulation of diffusion bridges has applications in diverse scientific fields and plays a crucial role in the statistical inference of discretely-observed diffusions. This is known to be a challenging problem that has received much attention in the last two decades. This article contributes to this rich body of literature by presenting a new avenue to obtain diffusion bridge approximations. Our approach is based on a backward time representation of a diffusion bridge, which may be simulated if one can time-reverse the unconditioned diffusion. We introduce a variational formulation to learn this time-reversal with function approximation and rely on a score matching method to circumvent intractability. Another iteration of our proposed methodology approximates the Doob's $h$-transform defining the forward time representation of a diffusion bridge. We discuss algorithmic considerations and extensions, and present numerical results on an Ornstein--Uhlenbeck process, a model from financial econometrics for interest rates, and a model from genetics for cell differentiation and development to illustrate the effectiveness of our approach.
MLJun 1, 2021
Diffusion Schrödinger Bridge with Applications to Score-Based Generative ModelingValentin De Bortoli, James Thornton, Jeremy Heng et al.
Progressively applying Gaussian noise transforms complex data distributions to approximately Gaussian. Reversing this dynamic defines a generative model. When the forward noising process is given by a Stochastic Differential Equation (SDE), Song et al. (2021) demonstrate how the time inhomogeneous drift of the associated reverse-time SDE may be estimated using score-matching. A limitation of this approach is that the forward-time SDE must be run for a sufficiently long time for the final distribution to be approximately Gaussian. In contrast, solving the Schrödinger Bridge problem (SB), i.e. an entropy-regularized optimal transport problem on path spaces, yields diffusions which generate samples from the data distribution in finite time. We present Diffusion SB (DSB), an original approximation of the Iterative Proportional Fitting (IPF) procedure to solve the SB problem, and provide theoretical analysis along with generative modeling experiments. The first DSB iteration recovers the methodology proposed by Song et al. (2021), with the flexibility of using shorter time intervals, as subsequent DSB iterations reduce the discrepancy between the final-time marginal of the forward (resp. backward) SDE with respect to the prior (resp. data) distribution. Beyond generative modeling, DSB offers a widely applicable computational optimal transport tool as the continuous state-space analogue of the popular Sinkhorn algorithm (Cuturi, 2013).
MLFeb 15, 2021
Differentiable Particle Filtering via Entropy-Regularized Optimal TransportAdrien Corenflos, James Thornton, George Deligiannidis et al.
Particle Filtering (PF) methods are an established class of procedures for performing inference in non-linear state-space models. Resampling is a key ingredient of PF, necessary to obtain low variance likelihood and states estimates. However, traditional resampling methods result in PF-based loss functions being non-differentiable with respect to model and PF parameters. In a variational inference context, resampling also yields high variance gradient estimates of the PF-based evidence lower bound. By leveraging optimal transport ideas, we introduce a principled differentiable particle filter and provide convergence results. We demonstrate this novel method on a variety of applications.