Adjoint Matching

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Twelve weeks of publication activity for this topic as it is defined today.

25 papers

Latest in Adjoint Matching

Aug 31, 2026cs.CV

A Lagrangian View of Flow Matching

Modern explicit-time generative models, such as Flow Matching [Lipman et al., 2023] and Rectified Flow [Liu et al., 2023], are typically derived top-down via Optimal Transport and the continuity equation. This standard Eulerian approach focuses on the macroscopic transport of probability mass. In this paper, we present an alternative, bottom-up mechanical derivation grounded in a Lagrangian (particle-centric) perspective. By analyzing the local Taylor expansion of a continuous denoiser, we motivate a strict invariance condition required for optimal, singlestep generation: the conservation of target identity. Enforcing this condition yields a governing quasi-linear advection Partial Differential Equation (PDE). We demonstrate that solving this PDE via the Method of Characteristics analytically yields the straight-line trajectories of Flow Matching. This geometric perspective isolates the Jacobian of the denoiser as the primary source of trajectory curvature, providing a direct mathematical explanation for why straight-line flows enable massive step sizes, and why empirical models require distillation to flatten intersecting characteristics.
Peyman Milanfar
Aug 12, 2026cond-mat.dis-nn

Unifying Physical Backpropagation

Physical computing systems exploit device dynamics for computation, but their gradient-based optimization is challenging: backpropagation through a digital twin suffers from a model-reality gap. On-device gradient computation could resolve this issue, and a handful of theoretical and experimental studies have proposed ways to achieve it. Yet a unifying theory identifying when a physical system can compute the gradient of its own performance has been missing. Here we develop such a unification based on the adjoint method: we identify sufficient conditions under which the adjoint field required for formally exact gradients can be generated on the same hardware that performs the computation. Linear and nonlinear systems obey fundamentally different conditions: for linear systems, damping or gain is admissible provided reciprocity is preserved. For nonlinear trajectory systems, the sufficient conditions are reciprocity of the linearized system and the existence of a time-reversal mirror. Algorithmically, the nonlinear case requires infinitesimal nudging, whereas linear systems admit a finite-amplitude experiment. We recover (quantum) Equilibrium Propagation, Hamiltonian echo backpropagation, fully forward mode training and in situ gradient methods in integrated-photonic and free-space-optical systems. Finally, we show that reciprocity is a special case of more general intertwining conditions. For linear systems, these permit exact on-device gradients in a class of non-Hermitian, non-reciprocal systems. For nonlinear trajectories, they combine with generalized time-reversal mirrors to cover, e.g., PT-symmetric equations. The framework also includes time-dependent parameters and Onsager-reciprocal dynamics, providing a unified basis for formally exact physical learning.
Cyrill Bösch, Yigithan Gediz, Clara C. Wanjura +1
Aug 9, 2026cs.GR

Differentiate the Solver, Not the Equation: Reverse-Sweep Adjoints for Block Implicit Simulation

Differentiable simulation is a key component in learning, control, and inverse problems, where gradients through nonlinear implicit solvers are required. Existing approaches either rely on unrolled automatic differentiation, whose memory grows with solver depth, or on equation-level implicit differentiation, which assembles global Jacobians and solves large sparse adjoint systems, discarding the locality of the forward solver -- and differentiating the converged equation rather than the finite computation that actually ran. We propose solver-level differentiation, which differentiates the executed solver itself. When a solver is composed of block implicit updates, its discrete adjoint is obtained by applying the corresponding adjoint updates in reverse order, yielding a reverse-sweep formulation whose backward pass mirrors the forward solver. From an operator perspective, the forward pass realizes an approximate inverse through ordered local solves, and the backward applies its transpose through reverse local adjoint solves, constructing no global system. We instantiate this idea on Vertex Block Descent, yielding a differentiable solver whose reverse colored Gauss-Seidel sweeps are composed entirely of local 3×33\times 3 adjoint solves. The backward matches automatic differentiation through the identical executed forward to machine precision at every solver depth, where the equation-level adjoint is off by 37% after one sweep; in a controlled same-codebase, same-GPU comparison it is 33x faster and uses 71x less memory than unrolled automatic differentiation; and the same construction is exact on projective dynamics and extended position-based dynamics. We scale differentiable elastodynamics to 10610^6 contact-coupled soft bodies (8M vertices) on one GPU. Overall, this work highlights solver structure as a practical organizing principle for efficient differentiable simulation.
Lei Shu, Ying Jiang, Kui Wu +3
Jul 17, 2026cs.LG

Physics-enhanced reinforcement learning for real-time optimal control of dynamical systems

Reinforcement learning (RL) has recently emerged as a promising feedback control strategy for nonlinear and complex dynamical systems. However, RL algorithms are sample inefficient and require a large number of interaction with the environment to synthesize optimal control strategies. Consequently, applications of RL are typically limited to sparse sensors and actuators due to the curse of dimensionality entailed by the exploration-exploitation dilemma in high-dimensional spaces. In this work, we bridge RL and traditional optimal control for dynamical system with a novel Physics-EnhAnced Reinforcement Learning (PEARL) paradigm tailored to the control of high-dimensional and parametric dynamical systems, exploiting the differentibility of their dynamics. Specifically, PEARL employs an actor-adjoint algorithm that leverages automatic differentiation to compute policy gradients over short horizons and adjoint-based sensitivities of future returns approximated via neural networks, significantly reducing the number of environment interactions, while mitigating long-term gradient instabilities. Through two challenging parametric navigation problems in unsteady flows, we show that PEARL (i) effectively exploits differentiable environments to outperform state-of-the-art RL algorithms, (ii) is sample efficient, thanks to the physics-guided policy learning, (iii) generalizes across multiple scenarios, which is crucial when dealing with parametric systems, and (iv) enables scaling RL to high-dimensional state and action spaces, without requiring low-dimensional state representations or multi-agent strategies.
Matteo Tomasetto, Nicolò Botteghi, Gabriele Bruni +1
Jul 16, 2026eess.IV

Domain Adaptation of Mismatched Proximal Denoiser for Plug-and-Play Image Reconstruction

Plug-and-play proximal gradient descent (PnP-PGD) enables flexible image reconstruction by using denoisers as implicit priors. In practice, these denoisers are often deployed outside their training domains. Existing analyses establish convergence under structural assumptions on the deployed denoiser, such as requiring it to be a proximal map or a contraction. However, they do not measure how domain mismatch affects convergence of PnP-PGD. We define this effect as \emph{proximal mismatch}: the discrepancy between a deployed denoiser D^\widehat{\mathsf D} and a target-domain reference map D=proxR\mathsf D_\star=\operatorname{prox}_{R_\star} associated with the underlying regularizer RR_\star. Under this mismatch, each denoising update becomes an inexact proximal step for the target objective. We further derive a stationarity bound that decays at a rate of O(1/K)\mathcal{O}(1/K), with an additive term proportional to the average squared proximal mismatch. This result motivates adaptation via proximal matching rather than MSE-based adaptation alone. We study this approach with two established denoiser families: learned proximal networks and gradient-step denoisers. Experiments on Gaussian deblurring and super-resolution under substantial domain shift show that proximal matching adaptation improves reconstruction quality significantly over MSE-based adaptation, yielding the largest numerical gains in the few-shot regime.
Guixian Xu, Jinglai Li, Junqi Tang
Jul 3, 2026math.PR

An AI-Assisted Solution to the Signed BAR Conjecture: Uniqueness in the Harrison--Reiman Class and a Completely-S\mathcal{S} Class Obstruction

For a multidimensional reflected diffusion, determining whether the associated basic adjoint relationship (BAR) uniquely characterizes the stationary distribution is a basic uniqueness problem in the BAR approach. The problem has remained unresolved for more than 35 years since the introduction of the BAR approach. In this paper, we resolve the finite-signed uniqueness problem for stable Harrison--Reiman data with a nonsingular MM-matrix reflection matrix. The proof uses pathwise differentiability of the reflected diffusion implies feasible directional differentiability of the probabilistic resolvent to show that, at boundary points, its one-sided initial-state derivative factors through the tangent projection and vanishes along active reflection directions. An interior one-sided convolution then yields smooth test functions whose oblique derivatives are uniformly bounded and converge pointwise to zero on each closed face. The interior signed measure is consequently invariant for the reflected semigroup. The proof was discovered with the assistance of ChatGPT 5.5 Pro and subsequently verified by the authors. We also show that the nonsingular MM-matrix assumption is structural. In the larger completely-S\mathcal{S} class, a nonsingular reflection matrix with a singular proper principal block admits boundary gauges supported on lower-dimensional strata. Under standard exponential ergodicity and a mild one-step regulator bound, these gauges produce nonzero zero-mass signed BAR tuples; indeed the zero-mass interior BAR coordinates contain an infinite-dimensional subspace. A four-parameter three-dimensional family, including an explicit rational example, verifies the obstruction. Thus the finite signed version of the Dai--Dieker question has a positive answer in the Harrison--Reiman MM-matrix class and a negative answer in a natural completely-S\mathcal{S} extension.
Yiping Lu, Youheng Zhu
Jun 21, 2026cs.LG

Scalable Maximum Entropy Reinforcement Learning for Diffusion Policies via Adjoint Matching

Diffusion policies have recently emerged as a powerful paradigm for representing complex action distributions in reinforcement learning (RL). However, their application to online RL remains limited by the challenge of scalable training in the absence of ground-truth data, where standard optimization techniques such as score matching are not directly applicable. In this work, we introduce a highly efficient algorithm for optimizing diffusion policies by leveraging recent advances in stochastic optimal control. Our approach is based on adjoint matching, which enables simulation-free training and circumvents the need for explicit likelihood estimation or costly backpropagation through the diffusion process. Furthermore, we propose several extensions that improve the robustness and stability of the method in practical settings. Empirical results demonstrate that our approach achieves competitive performance while significantly reducing computational overhead, making diffusion policies more viable for online RL scenarios.
Serge Thilges, Onur Celik, Denis Blessing +2
Jun 10, 2026math.NA

Adjoint Method versus Physics-Informed Neural Networks in PDE-Constrained Inverse Problems

Inverse problems governed by partial differential equations (PDEs) are central to computational mechanics and are commonly solved by adjoint-based optimization, while physics-informed neural networks (PINNs) have emerged as a flexible alternative. Their relative performance remains difficult to assess because the two approaches are often compared under different formulations, parameterizations, optimizers, and regularization choices. We present a fair comparison of adjoint optimization and PINNs for PDE-constrained inverse problems. From a common abstract formulation, we instantiate both methods on identical domains, governing equations, observation models, and regularization terms, while matching the optimizer, unknown parameterization, and arithmetic precision wherever applicable. The benchmarks include unsteady Burgers, noisy Darcy permeability inversion, three-dimensional Allen--Cahn reaction identification, and unsteady Navier--Stokes viscosity identification. The results show that the representation of the unknown largely determines the preferred method: grid-based fields favor the discrete adjoint, whereas neural representations are native to PINNs and relevant for closure and constitutive modeling. For time-dependent problems, adjoint inversion can be dominated by trajectory storage and differentiation, while PINNs provide satisfactory reconstructions at lower cost. A PINN-warm-started adjoint strategy then recovers adjoint-level accuracy at substantially reduced cost.
Zhen Zhang, Alessandro Alla, George Em Karniadakis
Jun 4, 2026cs.LG

Reactive Flux Matching: Mechanism Discovery and Adaptive Sampling of Rare Events

Path sampling methods generate ensembles of reactive trajectories connecting metastable states, but extracting mechanistic insight from these data remains nontrivial. We introduce Flux Matching, a framework that learns two complementary objects directly from reactive trajectory data: a current velocity u(z)u(z), whose streamlines trace the dominant reaction pathways, and a scalar potential h(z)h(z), obtained from a weighted Helmholtz-Hodge decomposition of the reactive current, that serves as a data-driven reaction coordinate. Both minimize quadratic functionals over the reactive path ensemble, analogous to the flow matching loss in generative modeling, and require no knowledge of the underlying dynamics or stationary distribution. Unlike committor-based methods, uu and hh remain well-defined under projection onto non-Markovian collective variables, and their level sets in turn provide adaptive interfaces for improved sampling with enhanced sampling methods. Flux Matching is validated through the generation of current velocity trajectories and rate constant calculations on molecular systems.
Rishal Aggarwal, David Ryan Koes, Nicholas M. Boffi +1
May 29, 2026cs.LG

Unsupervised Diffusion Solver for Combinatorial Optimization via Combinatorial Adjoint Matching

Diffusion-based neural solvers have shown strong promise for combinatorial optimization (CO), but existing methods typically rely on supervised training with large collections of near-optimal solutions. In this work, we extend adjoint-based trajectory optimization methods to discrete combinatorial domains. We formulate diffusion-based CO as a stochastic control problem over Continuous-Time Markov Chains and introduce discrete adjoint dynamics for propagating optimization signals through discrete generative trajectories. Building on this formulation, we propose Combinatorial Adjoint Matching (CAM), an unsupervised training framework for discrete diffusion solvers with structured and low-variance trajectory-level optimization signals. Empirically, CAM consistently outperforms existing unsupervised diffusion baselines and achieves performance competitive with strong supervised diffusion solvers and even traditional solvers across diverse combinatorial optimization problems. Our code is available at https://github.com/Shengyu-Feng/CAM.
Shengyu Feng, Tarun Suresh, Yiming Yang
May 26, 2026cs.LG

Trust Region Q Adjoint Matching

Off-policy reinforcement learning of pretrained flow policies remains challenging due to the instability of optimization arising from the multi-step sampling process. Recently, Q-learning with Adjoint Matching (QAM) addressed this issue by reformulating into a memoryless stochastic optimal control (SOC) problem with a learned critic. However, QAM inherits a fundamental fragility of critic-guided improvement: small critic errors are amplified when critics are ill-conditioned, often leading to model collapse. This paper introduces Trust Region Q-Adjoint Matching (TRQAM), a stable off-policy fine-tuning algorithm that adaptively controls the path-space KL with pretrained flow policies through projected dual descent. Specifically, we optimize the trust-region parameter λλ in SOC dynamics, and theoretically show that the path-space KL can be represented by a closed-form function of λλ. As a result, our method can precisely control the exact deviation from pretrained flow policies, achieving stable off-policy RL. Through experiments on 50 OGBench tasks, TRQAM consistently outperforms prior arts in both offline RL and offline-to-online RL. In particular, TRQAM achieves an overall success rate of 68% in offline RL, substantially improves the strongest baseline at 46%.
Yonghoon Dong, Kyungmin Lee, Changyeon Kim +2
May 17, 2026cs.LG

Vocabulary-size-independent Convergence of Discrete Diffusion Models: adjoint equations induce the right space

Discrete diffusion has become a leading framework for generative modeling in various applications including language, vision, and biology. Existing convergence theory, however, exhibits fundamental limitations. KL-based analyses diverge under singular priors such as the masked distribution, while bounds in total variation (TV) depend on the vocabulary size SS and become vacuous for modern language tasks, where vocabularies contain hundreds of thousands of tokens. We develop a unified adjoint-equation-based framework that establishes vocabulary-size-independent convergence guarantees in any integral probability metric (IPM). To the best of our knowledge, our bounds are the first to be entirely free of SS and applicable to both masked and uniform priors. Importantly, our results can extend existing step complexity guarantees to any IPM. Also, our theory relies only on a single standard rate-matrix regularity assumption and applies to general priors. Five novel techniques drive our improvements: 1. working in the space of observables via adjoint equations rather than directly with probability measures; 2. a regularity analysis that yields bounds on any IPM; 3. a coupling argument that removes SS-dependence under uniform transitions; and 4. score-marginal cancellation and 5. exit-routing techniques that remove SS-dependence under masked transitions. Our framework thus sharply departs from prior analyses and avoids the shortcomings of pathspace-KL and existing TV-based approaches. Beyond convergence bounds, our framework provides a versatile toolkit for further theoretical study of discrete diffusion models, including principled choices of loss functions and vocabulary-size-independent step complexity.
Kelvin Kan, Xingjian Li, Benjamin J. Zhang +3
May 12, 2026cs.LG

Efficient Adjoint Matching for Fine-tuning Diffusion Models

Reward fine-tuning has become a common approach for aligning pretrained diffusion and flow models with human preferences in text-to-image generation. Among reward-gradient-based methods, Adjoint Matching (AM) provides a principled formulation by casting reward fine-tuning as a stochastic optimal control (SOC) problem. However, AM inevitably requires a substantial computational cost: it requires (i) stochastic simulation of full generative trajectories under memoryless dynamics, resulting in a large number of function evaluations, and (ii) backward ODE simulation of the adjoint state along each sampled trajectory. In this work, we observe that both bottlenecks are closely tied to the \textit{non-trivial base drift} inherited from the pretrained model. Motivated by this observation, we propose \textbf{Efficient Adjoint Matching (EAM)}, which substantially improves training efficiency by reformulating the SOC problem with a \textit{linear base drift} and a correspondingly modified \textit{terminal cost}. This reformulation removes both sources of inefficiency; it enables training-time sampling with a few-step deterministic ODE solver and yields a closed-form adjoint solution that eliminates backward adjoint simulation. On standard text-to-image reward fine-tuning benchmarks, EAM converges up to 4x faster than AM and matches or surpasses it across various metrics including PickScore, ImageReward, HPSv2.1, CLIPScore and Aesthetics.
Jeongwoo Shin, Dongsoo Shin, Yuchen Zhu +5
May 11, 2026cs.LG

Reinforce Adjoint Matching: Scaling RL Post-Training of Diffusion and Flow-Matching Models

Diffusion and flow-matching models scale because pretraining is supervised regression: a clean sample is noised analytically, and a model regresses against a closed-form target. RL post-training aligns the model with a reward. In image generation, this makes samples compose objects correctly, render text legibly, and match human preferences. Existing methods rely on costly SDE rollouts, reward gradients, or surrogate losses, sacrificing pretraining's regression structure. We show that the structure extends to RL post-training. Under KL-regularized reward maximization, the optimal generative process tilts the clean-endpoint distribution towards samples with higher reward and leaves the noising law unchanged. Combining this with the adjoint-matching optimality condition and a REINFORCE identity, we derive Reinforce Adjoint Matching (RAM): a consistency loss that corrects the pretraining target with the reward. At each step, we draw a clean endpoint from the current model, evaluate its reward, noise it as in pretraining, and regress. No SDE rollouts, backward adjoint sweeps, or reward gradients are required. Like the pretraining objective, RAM is simple and scales. On Stable Diffusion 3.5M, RAM achieves the highest reward on composability, text rendering, and human preference, reaching Flow-GRPO's peak reward in up to 50×50\times fewer training steps.
Andreas Bergmeister, Stefanie Jegelka, Nikolas Nüsken +2
May 7, 2026cs.AI

Improved techniques for fine-tuning flow models via adjoint matching: a deterministic control pipeline

We propose a deterministic adjoint matching framework that formulates human preference alignment for flow-based generative models as an optimal control problem over velocity fields. One can directly regress the control toward a value-gradient-induced target under the current policy, leading to a simple and stable training objective. Building on this perspective, we introduce a truncated adjoint scheme that focuses computation on the terminal portion of the trajectory, where reward-relevant signals concentrate, which yields substantial computational savings while preserving alignment quality. We further generalize the framework beyond standard KL-based regularization, allowing more flexible trade-offs between alignment strength and distributional preservation. Experiments on SiT-XL/2 and FLUX.2-Klein-4B demonstrate consistent gains across multiple alignment metrics, along with substantially improved diversity and mode preservation.
Zhengyi Guo, Jiayuan Sheng, David D. Yao +1
May 7, 2026cs.LG

SNAPO: Smooth Neural Adjoint Policy Optimization for Optimal Control via Differentiable Simulation

Many real-world problems require sequential decisions under uncertainty: when to inject or withdraw gas from storage, how to rebalance a pension portfolio each month, what temperature profile to run through a pharmaceutical reactor chain. Dynamic programming solves small instances exactly but scales exponentially in state dimensions. Black-box reinforcement learning handles high-dimensional states but trains slowly and produces no sensitivities. We introduce SNAPO (Smooth Neural Adjoint Policy Optimization), a framework that embeds a neural policy inside a known, differentiable simulator, replaces hard constraints with smooth approximations, and computes exact gradients of the objective with respect to all policy parameters and all inputs in a single adjoint pass. We demonstrate SNAPO on three domains: natural gas storage (training in under a minute, 365 forward curve sensitivities at no additional cost per sensitivity), pension fund asset-liability management (6.5x-200x sensitivity speedup over bump-and-revalue, scaling with the number of risk factors), and pharmaceutical manufacturing (cross-unit sensitivities through a 4-unit process chain, with 20 ICH Q8 regulatory sensitivities from 5 adjoint passes in 74.5 milliseconds). All sensitivities are produced by the same backward pass that trains the policy, at a cost proportional to one reverse pass regardless of how many sensitivities are computed.
Dmitri Goloubentsev, Natalija Karpichina
May 7, 2026cs.LG

Entropy-Regularized Adjoint Matching for Offline Reinforcement Learning

Integrating expressive generative policies, such as flow-matching models, into offline reinforcement learning (RL) allows agents to capture complex, multi-modal behaviors. While Q-learning with Adjoint Matching (QAM) stabilizes policy optimization via the continuous adjoint method, it remains inherently bound to the fixed behavior distribution. This dependence induces a \textit{popularity bias} that can suppress high-reward actions in low-density regions, and creates a \textit{support binding} that restricts off-manifold exploration. Existing workarounds, such as appending \textit{residual} Gaussian policies, often re-introduce the expressivity bottlenecks associated with unimodal distributions. In this work, we propose \textit{Maximum Entropy Adjoint Matching} (ME-AM), a unified framework that addresses these limitations within the continuous flow formulation. ME-AM incorporates two mechanisms: (1) a Mirror Descent entropy maximization objective that mitigates the popularity bias to facilitate the extraction of optimal policies from offline datasets, and (2) a \textit{Mixture Behavior Prior} that broadens the geometric support to encompass out-of-distribution high-reward regions. By exploring this extended geometry, ME-AM identifies robust actions while preserving the absolute continuity of the generative vector field. Empirically, ME-AM demonstrates competitive or superior performance compared to prior state-of-the-art (SOTA) methods across a diverse suite of sparse-reward continuous control environments.
Abdelghani Ghanem, Mounir Ghogho
May 5, 2026cs.RO

Neural Control: Adjoint Learning Through Equilibrium Constraints

Many physical AI tasks require sequential implicit computation: at each step, boundary controls are applied, and the resulting configuration is obtained by solving an equilibrium problem. This setting arises naturally in deformable object manipulation, where even bending a deformable linear object (DLO) to a target shape can be nonlinear and multistable: identical boundary conditions may produce different configurations depending on actuation history. Unlike explicit transition models, the control-to-configuration relation is implicit and history-dependent, making long-horizon learning and control brittle; backpropagating through iterative solves is also memory- and compute-intensive. We propose Neural Control, a boundary-control framework that propagates gradients through branch-dependent sequences of equilibrium solves rather than a single fixed point. Neural Control computes trajectory-dependent proxy gradients by differentiating equilibrium conditions with an adjoint formulation, avoiding solver unrolling while keeping forward rollouts on converged equilibria. Combined with receding-horizon continuation, Neural Control re-anchors optimization to realized equilibria and mitigates basin switching. We validate Neural Control on simulated and real DLO manipulation, compare against SPSA and iCEM, and demonstrate applicability to a learned DEQ-style implicit equilibrium model.
Dezhong Tong, Jiawen Wang, Hengyi Zhou +3
May 3, 2026cs.LG

Calibration of the underlying surface parameters for urban flood using latent variables and adjoint equation

Calibrating the urban underlying surface parameters is crucial for urban flood simulation. We formulate the parameter calibration problem into an optimization problem within the Bayesian framework using the maximum likelihood principle. We adopt the urban flood dynamical system model as the surrogate model and innovatively introduce latent variables inspired by machine learning to represent more uncertainties, which can also be compatible with common physical parameter calibration. For more efficient optimization, we construct the adjoint equation of the surrogate model to obtain gradient information and propose the parameter sharing technique and the localization technique to reduce the computation complexity of the adjoint equation. A simple case verifies the proposed method can converge quickly and is insensitive to the observation time interval. In the case derived from Test 8A, we calibrate Manning's coefficient of urban roads, with a maximum relative error of 13.88% and a minimum of 1.16%.
Yongfu Tian, Shan Ding, Guofeng Su +1
Apr 30, 2026stat.ML

A unified perspective on fine-tuning and sampling with diffusion and flow models

We study the problem of training diffusion and flow generative models to sample from target distributions defined by an exponential tilting of a base density; a formulation that subsumes both sampling from unnormalized densities and reward fine-tuning of pre-trained models. This problem can be approached from a stochastic optimal control (SOC) perspective, using adjoint-based or score matching methods, or from a non-equilibrium thermodynamics perspective. We provide a unified framework encompassing these approaches and make three main contributions: (i) bias-variance decompositions revealing that Adjoint Matching/Sampling and Novel Score Matching have finite gradient variance, while Target and Conditional Score Matching do not; (ii) norm bounds on the lean adjoint ODE that theoretically support the effectiveness of adjoint-based methods; and (iii) adaptations of the CMCD and NETS loss functions, along with novel Crooks and Jarzynski identities, to the exponential tilting setting. We validate our analysis with reward fine-tuning experiments on Stable Diffusion 1.5 and 3.
Carles Domingo-Enrich, Yuanqi Du, Michael S. Albergo
Apr 25, 2026math.OC

Nonlinear Non-Gaussian Density Steering with Input and Noise Channel Mismatch: Sinkhorn with Memory for Solving the Control-affine Schrödinger Bridge Problem

Solutions to the Schrödinger bridge problem and its generalizations yield feedback control policies for optimal density steering over a controlled diffusion. To numerically compute the same, the dynamic Sinkhorn recursion has become a standard approach. The mathematical engine behind this approach is the Hopf-Cole transform that recasts the conditions for optimality into a system of boundary-coupled linear PDEs. Recent works pointed out that for the control-affine Schrödinger bridge problem, this exact linearity via Hopf-Cole transform, and thus the standard Sinkhorn recursion, apply only if the control and noise channels are proportional. When the channels do not match, the Hopf-Cole-transformed PDEs remain nonlinear, and no algorithm is available to solve the same. We advance the state-of-the-art by designing a Sinkhorn recursion with memory that leverages the structure of these nonlinear PDEs, and demonstrate how it solves the control-affine Schrödinger bridge problem with input and noise channel mismatch. We prove the local stability of the proposed algorithm.
Georgiy A. Bondar, Asmaa Eldesoukey, Yongxin Chen +1
Apr 22, 2026cs.LG

Generative Flow Networks for Model Adaptation in Digital Twins of Natural Systems

Digital twins of natural systems must remain aligned with physical systems that evolve over time, are only partially observed, and are typically modeled by mechanistic simulators whose parameters cannot be measured directly. In such settings, model adaptation is naturally posed as a simulation-based inference problem. However, sparse and indirect observations often fail to identify a unique and optimal calibration, leaving several simulator parameterizations compatible with the available evidence. This article presents a GFlowNet-based approach to model adaptation for digital twins of natural systems. We formulate adaptation as a generative modeling problem over complete simulator configurations, so that plausible parameterizations can be sampled with probability proportional to a reward derived from agreement between simulated and observed behavior. Using a controlled environment agriculture case study based on a mechanistic tomato model, we show that the learned policy recovers dominant regions of the adaptation landscape, retrieves strong calibration hypotheses, and preserves multiple plausible configurations under uncertainty.
Pascal Archambault, Houari Sahraoui, Eugene Syriani
Apr 19, 2026cs.LG

Neural Adjoint Method for Meta-optics: Accelerating Volumetric Inverse Design via Fourier Neural Operators

Meta-optics promises compact, high-performance imaging and color routing. However, designing high-performance structures is a high-dimensional optimization problem: mapping a desired optical output back to a physical 3D structure requires solving computationally expensive Maxwell's equations iteratively. Even with adjoint optimization, broadband design can require thousands of Maxwell solves, making industrial-scale optimization slow and costly. To overcome this challenge, we propose the Neural Adjoint Method, a solver-supervised surrogate that predicts 3D adjoint gradient fields from a voxelized permittivity volume using a Fourier Neural Operator (FNO). By learning the dense, per-voxel sensitivity field that drives gradient-based updates, our method can replace per-iteration adjoint solves with fast predictions, greatly reducing the computational cost of full-wave simulations required during iterative refinement. To better preserve sensitivity peaks, we introduce a stage-wise FNO that progressively refines residual errors with increasing emphasis on higher-frequency components. We curate a meta-optics dataset from paired forward/adjoint FDTD simulations and evaluate it across three tasks: spectral sorting (color routers), achromatic focusing (metalenses), and waveguide mode conversion. Our method reduces design time from hours to seconds. These results suggest a practical route toward fast, large-scale volumetric meta-optical design enabled by AI-accelerated scientific computing.
Chanik Kang, Hyewon Suk, Haejun Chung
Mar 28, 2026math.OC

Adjoint Matching through the Lens of the Stochastic Maximum Principle in Optimal Control

Reward fine-tuning of diffusion and flow models and sampling from tilted or Boltzmann distributions can both be formulated as stochastic optimal control (SOC) problems, where learning an optimal generative dynamics corresponds to optimizing a control under SDE constraints. In this work, we revisit and generalize Adjoint Matching, a recently proposed SOC-based method for learning optimal controls, and place it on a rigorous footing by deriving it from the Stochastic Maximum Principle (SMP). We formulate a general Hamiltonian adjoint matching objective for SOC problems with control-dependent drift and diffusion and convex running costs, and show that its expected value has the same first variation as the original SOC objective. As a consequence, critical points satisfy the Hamilton--Jacobi--Bellman (HJB) stationarity conditions. In the important practical case of state- and control-independent diffusion, we recover the lean adjoint matching loss previously introduced, which avoids second-order terms and whose critical points coincide with the optimal control under mild uniqueness assumptions. Numerical experiments confirm that the extra terms it discards become necessary once the diffusion is state-dependent. Finally, we show that adjoint matching can be precisely interpreted as a continuous-time method of successive approximations induced by the SMP, yielding a practical and implementable alternative to classical SMP-based algorithms, which are obstructed by intractable martingale terms in the stochastic setting. These results are also of independent interest to the stochastic control community, providing new implementable objectives and a viable pathway for SMP-based iterations in stochastic problems.
Carles Domingo-Enrich, Jiequn Han
Jun 25, 2025cs.LG

Counterfactual Operator Relevance for PDE Discovery: Screening, Pruning, and Identifiability

We study operator relevance in data-driven partial differential equation (PDE) discovery. Sparse residual methods can select terms that improve residual fit, but residual contribution is not the same as functional necessity. We formalize this distinction through counterfactual operator interventions, where a candidate term is deleted or perturbed and the factual and intervened trajectories, or observables, are compared. The resulting theory gives six reusable results. A residual--counterfactual gap theorem shows that deletion effects are governed by the inverse linearized PDE map, not by residual magnitude alone. A certified decision theorem gives error margins for relevance, irrelevance, and abstention under neural or numerical surrogate error. An aliasing theorem characterizes experiment-dependent non-identifiability through the null space of the operator-evaluation design. A constraint-manifold theorem shows that operators vanishing on invariant constraint classes cannot be identified from trajectories restricted to those classes. A pruning-consistency theorem proves that sparse screening followed by counterfactual deletion recovers the functionally relevant support under a recall and margin condition. An observable-level adjoint theorem extends relevance testing from full-state deviations to scientific quantities of interest. Validation experiments test these mechanisms on synthetic PDEs with known support and on public geophysical fields from atmospheric reanalysis and NOAA OISST. The real-data results are reported as operator-surrogate diagnostics, not as unconditional recovery of physical laws. The framework provides a rigorous diagnostic layer for distinguishing residual usefulness from counterfactual operator relevance within a specified library, experiment class, norm, and tolerance.
Ronald Katende