Reconstructing population dynamics is a central problem in the physical and data sciences. Often, the dynamics are modeled as a Wasserstein gradient flow (WGF): a curve of distributions driven by an energy functional. Though there are multiple mathematical characterizations of a WGF, the dominant algorithmic approach relies on the Jordan--Kinderlehrer--Otto (JKO) scheme. JKO-based methods are inflexible to time discretisation and require solving costly optimal transport problems. We take a residual approach, enforcing the continuity equations via a non-negative loss function whose minimum is the WGF. Combined with a data-fitting divergence, this gives a single global objective. This perspective unifies several existing methods and leads to a new particle-based method, stitching, that is simulation-free and robust to large gaps between observations. We demonstrate that the stitching method achieves state-of-the-art performance across trajectory inference benchmarks. For code see github.com/BasisResearch/wasserstein-residuals.
A defining problem of the Anthropocene is to model the physical Earth and human societies as one coupled system, yet no learned representation spans their observational breadth. We argue the obstacle is geometric: the physical Earth is measured as continuous fields that ignore po…
Automating theoretical research is constrained not only by the generation of candidate results, but also by their reliable evaluation. A common approach is to close the research loop with a large language model (LLM) reviewer. However, such reviewers remain empirically unreliable…
A data-driven inverse optimization problem (DDIOP) is the problem of estimating the objective-function parameters (weights) that explain observed optimal-solution data, and it arises in many applications, including integer linear programming (ILP). It is known that, by applying g…
Imitation learning (IL)---training an agent to replicate expert behavior from demonstrations---underpins applications from robotics to language model training. Standard approaches such as Behavior Cloning (BC) are known to suffer from compounding errors and performance plateaus,…
We consider the problem of learning from a single finite trajectory of an ergodic stochastic dynamical system. More precisely, we study discrete-time autonomous stochastic systems defining time-homogeneous Markov processes. We first focus on estimating the optimal one-step predic…
We introduce implicit machine learning force fields (I-MLFFs), which replace explicit stacks of neural network layers with self-consistent fixed-point equations. In molecular simulations, this formulation enables intermediate representations to be reused across successive timeste…