minibatch optimal transport
Minibatch Optimal Transport and Perplexity Bound Estimation in Discrete Flow Matching
Haxholli, Etrit, Gürbüz, Yeti Z., Can, Oğul, Waxman, Eli
Outperforming autoregressive models on categorical data distributions, such as textual data, remains challenging for continuous diffusion and flow models. Discrete flow matching, a recent framework for modeling categorical data, has shown competitive performance with autoregressive models. Despite its similarities with continuous flow matching, the rectification strategy applied in the continuous version does not directly extend to the discrete one due to the inherent stochasticity of discrete paths. This limitation necessitates exploring alternative methods to minimize state transitions during generation. To address this, we propose a dynamic-optimal-transport-like minimization objective for discrete flows with convex interpolants and derive its equivalent Kantorovich formulation. The latter defines transport cost solely in terms of inter-state similarity and is optimized using a minibatch strategy. Another limitation we address in the discrete flow framework is model evaluation. Unlike continuous flows, wherein the instantaneous change of variables enables density estimation, discrete models lack a similar mechanism due to the inherent non-determinism and discontinuity of their paths. To alleviate this issue, we propose an upper bound on the perplexity of discrete flow models, enabling performance evaluation and comparison with other methods.
Improving and generalizing flow-based generative models with minibatch optimal transport
Tong, Alexander, Malkin, Nikolay, Huguet, Guillaume, Zhang, Yanlei, Rector-Brooks, Jarrid, Fatras, Kilian, Wolf, Guy, Bengio, Yoshua
Continuous normalizing flows (CNFs) are an attractive generative modeling technique, but they have been held back by limitations in their simulation-based maximum likelihood training. We introduce the generalized conditional flow matching (CFM) technique, a family of simulation-free training objectives for CNFs. CFM features a stable regression objective like that used to train the stochastic flow in diffusion models but enjoys the efficient inference of deterministic flow models. In contrast to both diffusion models and prior CNF training algorithms, CFM does not require the source distribution to be Gaussian or require evaluation of its density. A variant of our objective is optimal transport CFM (OT-CFM), which creates simpler flows that are more stable to train and lead to faster inference, as evaluated in our experiments. Furthermore, OT-CFM is the first method to compute dynamic OT in a simulation-free way. Training CNFs with CFM improves results on a variety of conditional and unconditional generation tasks, such as inferring single cell dynamics, unsupervised image translation, and Schr\"odinger bridge inference.