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Christopher Rackauckas

Possible papers associated with this exact author name in Arrow. This page groups case-insensitive exact name matches and is not a full identity disambiguation profile.

2 papers
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2

NeurIPS Conference 2025 Conference Paper

Physics-Constrained Flow Matching: Sampling Generative Models with Hard Constraints

  • Utkarsh Utkarsh
  • Pengfei Cai
  • Alan Edelman
  • Rafael Gomez-Bombarelli
  • Christopher Rackauckas

Deep generative models have recently been applied to physical systems governed by partial differential equations (PDEs), offering scalable simulation and uncertainty-aware inference. However, enforcing physical constraints, such as conservation laws (linear and nonlinear) and physical consistencies, remains challenging. Existing methods often rely on soft penalties or architectural biases that fail to guarantee hard constraints. In this work, we propose Physics-Constrained Flow Matching (PCFM), a zero-shot inference framework that enforces arbitrary nonlinear constraints in pretrained flow-based generative models. PCFM continuously guides the sampling process through physics-based corrections applied to intermediate solution states, while remaining aligned with the learned flow and satisfying physical constraints. Empirically, PCFM outperforms both unconstrained and constrained baselines on a range of PDEs, including those with shocks, discontinuities, and sharp features, while ensuring exact constraint satisfaction at the final solution. Our method provides a flexible framework for enforcing hard constraints in both scientific and general-purpose generative models, especially in applications where constraint satisfaction is essential.

NeurIPS Conference 2022 Conference Paper

Automatic Differentiation of Programs with Discrete Randomness

  • Gaurav Arya
  • Moritz Schauer
  • Frank Schäfer
  • Christopher Rackauckas

Automatic differentiation (AD), a technique for constructing new programs which compute the derivative of an original program, has become ubiquitous throughout scientific computing and deep learning due to the improved performance afforded by gradient-based optimization. However, AD systems have been restricted to the subset of programs that have a continuous dependence on parameters. Programs that have discrete stochastic behaviors governed by distribution parameters, such as flipping a coin with probability $p$ of being heads, pose a challenge to these systems because the connection between the result (heads vs tails) and the parameters ($p$) is fundamentally discrete. In this paper we develop a new reparameterization-based methodology that allows for generating programs whose expectation is the derivative of the expectation of the original program. We showcase how this method gives an unbiased and low-variance estimator which is as automated as traditional AD mechanisms. We demonstrate unbiased forward-mode AD of discrete-time Markov chains, agent-based models such as Conway's Game of Life, and unbiased reverse-mode AD of a particle filter. Our code package is available at https: //github. com/gaurav-arya/StochasticAD. jl.

v2026.09.13