Inverse Problem

Plug-and-play (PnP) methods for solving inverse problems have recently achieved strong performance by leveraging denoising priors based on powerful generative diffusion and flow models. However, existing diffusion- and flow-based PnP methods typically rely on stochastic renoise-denoise operations, which complicate the analysis of their convergence behavior. In this work, we identify and formalize the deterministic renoise-denoise operator underlying flow-based plug-and-play methods. This perspective reveals that these methods implicitly define a deterministic operator given by the expectation of a denoiser over the latent noise distribution. Building on this insight, we propose FlowADMM, a PnP algorithm that integrates the renoise-denoise operator into the classical alternating direction method of multiplier (ADMM) framework. We establish convergence guarantees for FlowADMM under weak Lipschitz conditions on the underlying flow network, and extend the analysis to non-stationary time schedules. Empirically, FlowADMM achieves state-of-the-art performance among flow-based PnP methods on a range of inverse problems, including denoising, deblurring, super-resolution, and inpainting, while requiring fewer data consistency evaluations than prior approaches.

Generative models based on flow matching have emerged as a powerful paradigm for inverse problems, offering straighter trajectories and faster sampling compared to diffusion models. However, existing approaches often necessitate differentiating through unrolled paths, leading to numerical instability and prohibitive computational overhead. To address this, we propose P-Flow, a framework that stabilizes the reconstruction process by leveraging a proxy gradient to update the source point. This approach effectively circumvents the numerical instability and memory overhead of long-chain differentiation. To ensure consistency with the prior distribution, we employ a Gaussian spherical projection motivated by the concentration of measure phenomenon in high-dimensional spaces. We further provide a theoretical analysis for P-Flow based on Bayesian theory and Lipschitz continuity. Experiments across diverse restoration tasks demonstrate that P-Flow delivers competitive performance, especially under extreme degradations such as severely ill-posed conditions and high measurement noise.

Vision-Language Latent Diffusion Models (LDMs) (Rombach et al., 2022) provide powerful generative priors for inverse problems. However, existing LDM-based inverse solvers typically require a large number of neural function evaluations (NFEs) and backpropagation through large pretrained components, leading to substantial computational costs and, in some cases, degraded reconstruction quality. We propose a unified Euclidean-Wasserstein-2 gradient-flow framework that jointly performs posterior sampling and prompt optimization in the latent space through a single flow that aligns the prior and posterior with the observed data. Combined with few-step latent text-to-image models, this formulation enables low-NFE inference without backpropagation through autoencoders. Experiments across several canonical imaging inverse problems show that our method achieves state-of-the-art performance with significantly reduced computational cost.

Improving the effectiveness of human-robot interaction requires social robots to accurately infer human goals through robust intention understanding. This challenge is particularly critical in multimodal settings, where agents must integrate heterogeneous signals including text, visual cues to form a coherent interpretation of user intent. This paper presents IntentVLM, a novel two-stage video-language framework designed for open-vocabulary human intention recognition. The approach is inspired by forward-inverse modeling in cognitive science by decomposing intention understanding into goal candidate generation followed by structured inference through selection, effectively reducing hallucinations in latent reasoning. Evaluated on the IntentQA and Inst-IT Bench datasets, IntentVLM achieves state-of-the-art results with up to 80% accuracy, notably surpassing the baseline performance by 30% and matches human performance. Our findings demonstrate that this structured reasoning approach enhances open-vocabulary intention understanding without catastrophic forgetting, offering a robust foundation for human-centered robotics.

Current model training approaches incorporate user information directly into shared weights, making individual data removal computationally infeasible without retraining. This paper presents a three-layer architecture that decouples personal data from shared weights by combining a static base model, composable domain-expert LoRA adapters that shape behavior without imparting user data, and per-user proxy artefacts whose deletion constitutes deterministic unlearning. Evaluation on Phi-3.5-mini and Llama-3.1-8B confirms per-user differentiation in which personal data influences outputs while remaining isolated, verified by a return to baseline after proxy removal (KL divergence of approximately 0.21 nats, 82-89% verification pass rate) and near-zero cross-user contamination. Because user-specific information never enters shared weights, the architecture mitigates model inversion, membership inference, and training-data extraction against shared model components by construction. The approach converts machine unlearning from an intractable weight-editing problem into a deterministic deletion operation that preserves personalization alongside privacy-enhancing guarantees and is compatible with differentially private stochastic gradient descent (DP-SGD) for privacy-preserving shared model improvement.

Diffusion models have achieved outstanding performance in unsupervised industrial anomaly detection (uIAD) by learning a manifold of normal data under the common assumption that off-manifold anomalies are harder to generate, resulting in larger reconstruction errors in data space or lower probability densities in the tractable latent space. However, their iterative denoising and noising nature leads to slow inference. In this paper, we propose OSD-IRF, a novel one-step diffusion with inverse residual fields, to address this limitation for uIAD task. We first train a deep diffusion probabilistic model (DDPM) on normal data without any conditioning. Then, for a test sample, we predict its inverse residual fields (IRF) based on the noise estimated by the well-trained parametric noise function of the DDPM. Finally, uIAD is performed by evaluating the probability density of the IRF under a Gaussian distribution and comparing it with a threshold. Our key observation is that anomalies become distinguishable in this IRF space, a finding that has seldom been reported in prior works. Moreover, OSD-IRF requires only single step diffusion for uIAD, thanks to the property that IRF holds for any neighboring time step in the denoising process. Extensive experiments on three widely used uIAD benchmarks show that our model achieves SOTA or competitive performance across six metrics, along with roughly a 2X inference speedup without distillation.

Diffusion models (DMs) have recently shown remarkable performance on inverse problems (IPs). Optimization-based methods can fast solve IPs using DMs as powerful regularizers, but they are susceptible to local minima and noise overfitting. Although DMs can provide strong priors for Bayesian approaches, enforcing measurement consistency during the denoising process leads to manifold infeasibility issues. We propose Noise-space Hamiltonian Monte Carlo (N-HMC), a posterior sampling method that treats reverse diffusion as a deterministic mapping from initial noise to clean images. N-HMC enables comprehensive exploration of the solution space, avoiding local optima. By moving inference entirely into the initial-noise space, N-HMC keeps proposals on the learned data manifold. We provide a comprehensive theoretical analysis of our approach and extend the framework to a noise-adaptive variant (NA-NHMC) that effectively handles IPs with unknown noise type and level. Extensive experiments across four linear and three nonlinear inverse problems demonstrate that NA-NHMC achieves superior reconstruction quality with robust performance across different hyperparameters and initializations, significantly outperforming recent state-of-the-art methods. The code is available at https://github.com/NA-HMC/NA-HMC.

High-fidelity simulations and complex inverse problems, such as detector modeling and unfolding, are computationally intensive bottlenecks across subatomic physics, yet essential for accurate physical interpretation. While Conditional Flow Matching (CFM) offers a robust acceleration approach, we demonstrate its standard training loss is fundamentally misleading. Specifically, utilizing a Jefferson Lab Nuclear Physics (NP) kinematic dataset ($γp \to ρ^0 p \to π^+π^- p$), we expose that CFM loss plateaus prematurely, obscuring ongoing physical refinement. To verify this disconnect is a dataset-agnostic pathology, we introduce ScatterPrism, an efficient generative surrogate evaluated against both the NP data and synthetic stress tests modeling challenging 1D distribution topologies. Coupling these benchmarks, we establish that physics-informed metrics continue improving long after standard loss converges. Consequently, we propose a multi-metric diagnostic protocol to ensure true kinematic fidelity without data memorization. Driven by NP challenges relevant to the forthcoming Electron-Ion Collider (EIC), this unified machinery has strong potential to extend to High-Energy Physics (HEP) applications, such as jet modeling. Furthermore, the framework holds promise for broader domains requiring rigorous generative reliability, including medical imaging, astrophysics, and quantitative finance.

Inverse design aims to find design parameters $x$ achieving target performance $y^*$. Generative approaches learn bidirectional mappings between designs and labels, enabling diverse solution sampling. However, standard conditional flow matching (CFM), when adapted to inverse problems by pairing labels with design parameters, exhibits strong sensitivity to their arbitrary ordering and scaling, leading to unstable training. We introduce Diagonal Flow Matching (Diag--CFM), which resolves this through a zero-anchoring strategy that pairs design coordinates with noise and labels with zero, making the learning problem provably invariant to coordinate permutations. This yields substantially lower round-trip error than CFM and invertible neural network baselines across design dimensions up to $P{=}784$, including order-of-magnitude gains on several benchmarks. We develop two architecture-intrinsic uncertainty metrics, Zero-Deviation and Self-Consistency, that enable three practical capabilities: selecting the best candidate among multiple generations, abstaining from unreliable predictions, and detecting out-of-distribution targets; consistently outperforming ensemble and general-purpose alternatives across all tasks. We validate on airfoil, gas turbine combustor, scalable analytical benchmarks, a photonics inverse-design task, and an image-statistics benchmark.

Generalizing skill policies to novel conditions remains a key challenge in robot learning. Imitation learning methods, while data-efficient, are largely confined to the training region and consistently fail on input data outside it, leading to unpredictable policy failures. Alternatively, transfer learning approaches offer methods for trajectory generation robust to both changes in environment and tasks, but they remain data-hungry and lack accuracy in zero-shot generalization. We address these challenges in the context of task inversion learning and propose a novel joint learning approach to achieve accurate and efficient knowledge transfer. Our method constructs a common representation of the forward and inverse tasks, and leverages auxiliary forward demonstrations from novel configurations to successfully execute the corresponding inverse tasks, without any direct supervision. We demonstrate the extrapolation capabilities of our framework through ablation studies and experiments in simulated and real-world environments that require complex manipulation skills with a diverse set of objects and tools, where we outperform diffusion-based and multimodal VAE alternatives.

This article addresses the issue of estimating observation parameters (response and error parameters) in inverse problems. The focus is on cases where regularization is introduced in a Bayesian framework and the prior is modeled by a diffusion process. In this context, the issue of posterior sampling is known to be thorny, and a recent paper proposes a notably simple and effective solution. Additionally, it opens an remarkable flexibility when it comes to estimating observation parameters. The proposed strategy enables to define an optimal estimator for both observation parameters and image of interest. Furthermore, the strategy provides a means for uncertainty quantification. In addition, MCMC algorithms allow for the computation of estimates and properties of posteriors, while offering some guarantees. The paper presents several numerical experiments that clearly confirm the computational efficiency and the quality of both estimates and uncertainty quantification.

This paper addresses the issue of inversion in cases where (1) the observation system is modeled by a linear transformation and additive error, (2) the problem is ill-posed and regularization relies on a Bayesian strategy, (3)~the prior is modeled by a diffusion process adjusted on an available large set of examples. In this context, it is known that the issue of posterior sampling is a thorny one and the paper introduces a Gibbs algorithm. It appears that this avenue has not been explored, and we show that it is particularly effective and remarkably simple. In addition, it provides clear elements regarding convergence guarantees in a specific case and arguments supporting such guarantees in practical cases. The results are clearly confirmed by numerical simulations based on a toy example.

Inverse problems are fundamental to many scientific and engineering disciplines; they arise when one seeks to reconstruct hidden, underlying quantities from noisy measurements. Many applications demand not just point estimates but interpretable uncertainty. Providing fast inference alongside uncertainty estimates remains challenging yet desirable in numerous applications. We propose the Variational Sparse Paired Autoencoder (vsPAIR) to address this challenge. The architecture pairs a standard VAE encoding observations with a sparse VAE encoding quantities of interest (QoI), connected through a learned latent mapping. The variational structure enables uncertainty estimation, the paired architecture encourages interpretability by anchoring QoI representations to clean data, and sparse encodings provide structure by concentrating information into identifiable factors rather than diffusing across all dimensions. To validate the effectiveness of our proposed architecture, we conduct experiments on blind inpainting, computed tomography (CT), and initial-condition inference for the heat equation, demonstrating that vsPAIR is a capable inverse problem solver that can provide interpretable and structured uncertainty estimates.

Diffusion models provide powerful generative priors for solving inverse problems by sampling from a posterior distribution conditioned on corrupted measurements. Existing methods primarily follow two paradigms: direct methods, which approximate the likelihood term, and proximal methods, which incorporate intermediate solutions satisfying measurement constraints into the sampling process. Under standard Gaussian approximations and locally-linear measurements, we demonstrate that these approaches differ fundamentally in their treatment of the diffusion denoiser's Jacobian within the likelihood term. While this Jacobian encodes critical prior knowledge of the data distribution, training-induced non-idealities can degrade performance in zero-shot settings. In this work, we bridge direct and proximal approaches by proposing a principled Jacobian-Aware Posterior Sampler (JAPS). JAPS leverages the Jacobian's prior knowledge while mitigating its detrimental effects through a corresponding proximal solution, requiring no additional computational cost. Additionally, we integrate our guidance into DDIM sampling, with a corrected conditional factor that has been missing in previous works. Our method enhances reconstruction quality across diverse linear and nonlinear noisy imaging tasks, outperforming existing diffusion-based baselines in perceptual quality while maintaining or improving distortion metrics.

From a Bayesian perspective, score-based diffusion solves inverse problems through joint inference, embedding the likelihood with the prior to guide the sampling process. However, this formulation fails to explain its practical behavior: the prior offers limited guidance, while reconstruction is largely driven by the measurement-consistency term, leading to an inference process that is effectively decoupled from the diffusion dynamics. We show that the diffusion prior in these solvers functions primarily as a warm initializer that places estimates near the data manifold, while reconstruction is driven almost entirely by measurement consistency. Based on this observation, we introduce \textbf{DAPS++}, which fully decouples diffusion-based initialization from likelihood-driven refinement, allowing the likelihood term to guide inference more directly while maintaining numerical stability and providing insight into why unified diffusion trajectories remain effective in practice. By requiring fewer function evaluations (NFEs) and measurement-optimization steps, \textbf{DAPS++} achieves high computational efficiency and robust reconstruction performance across diverse image restoration tasks.

This work proposes a two-stage physics-informed deep learning framework that combines neural-network-based sampling with statistical inference and constrained parameter refinement. In the first stage, a dual-network physics-informed architecture is used, where a main-network approximates the PDE solution and an auxiliary coefficient sub-network provides a relaxed continuous soft approximation of the true discontinuous coefficient field. A gradient-adaptive weighting strategy is incorporated to improve residual training and enhance sampling reliability near possible discontinuity regions. The sampled coefficient values are then analyzed using Bayesian learning for Gaussian mixture models and birth-death Markov chain model selection, which identify the number of coefficient regimes and provide candidate intervals for coefficient values and transition regions. In the second stage, the inverse problem is reformulated as a constrained physics-informed estimator, in which the coefficient is replaced by a form-consistent hard approximation explicitly represented as a piecewise-constant function over the spatiotemporal domain. Comprehensive numerical experiments on PDEs with jump-discontinuous coefficients demonstrate that the proposed framework achieves adaptability and accurate parameter identification with acceptable computational costs compared to existing methods. Applications to solution reconstruction further illustrate its practical potential. This work provides a generalizable computational approach for inverse problems governed by PDEs with discontinuous parameter structures, particularly in non-stationary and heterogeneous systems.

Diffusion models have emerged as powerful generative priors for solving inverse imaging problems. However, their practical deployment is hindered by the substantial computational cost of slow, multi-step sampling. Although Consistency Models (CMs) address this limitation by enabling high-quality generation in only one or a few steps, their direct application to inverse problems has remained largely unexplored. This paper introduces a modified consistency sampling framework specifically designed for inverse problems. The proposed approach regulates the sampler's stochasticity through a measurement-consistency mechanism that leverages the degradation operator, thereby enforcing fidelity to the observed data while preserving the computational efficiency of consistency-based generation. Comprehensive experiments on the Fashion-MNIST and LSUN Bedroom datasets demonstrate consistent improvements across both perceptual and pixel-level metrics, including the Fréchet Inception Distance (FID), Kernel Inception Distance (KID), peak signal-to-noise ratio (PSNR), and structural similarity index measure (SSIM), compared with baseline consistency and diffusion-based sampling methods. The proposed method achieves competitive or superior reconstruction quality with only a small number of sampling steps.

Solving ill-posed inverse problems requires powerful and flexible priors. We propose leveraging pretrained latent diffusion models for this task through a new training-free approach, termed Diffusion-regularized Wasserstein Gradient Flow (DWGF). Specifically, we formulate the posterior sampling problem as a Wasserstein gradient flow in the latent space of an expected negative log posterior objective, regularized by a Kullback-Leibler divergence to the diffusion prior. We demonstrate the performance of our method on standard benchmarks using StableDiffusion (Rombach et al., 2022) as the prior.

We present a framework for fine-tuning flow-matching generative models to enforce physical constraints and solve inverse problems in scientific systems. Starting from a model trained on low-fidelity or observational data, we apply a differentiable post-training procedure that minimizes weak-form residuals of governing partial differential equations (PDEs), promoting physical consistency and adherence to boundary conditions without distorting the underlying learned distribution. To infer unknown physical inputs, such as source terms, material parameters, or boundary data, we augment the generative process with a learnable latent parameter predictor and propose a joint optimization strategy. The resulting model produces physically valid field solutions alongside plausible estimates of hidden parameters, effectively addressing ill-posed inverse problems in a data-driven yet physicsaware manner. We validate our method on canonical PDE benchmarks, demonstrating improved satisfaction of PDE constraints and accurate recovery of latent coefficients. Our approach bridges generative modelling and scientific inference, opening new avenues for simulation-augmented discovery and data-efficient modelling of physical systems.

Protein generative models have shown remarkable promise in protein design, yet their success rates remain constrained by reliance on curated sequence-structure datasets and by misalignment between supervised objectives and real design goals. We present ProteinZero, an online reinforcement learning framework for inverse folding models that enables scalable, automated, and continuous self-improvement with computationally efficient feedback. ProteinZero employs a reward pipeline that combines structural guidance from ESMFold with a novel self-derived ddG predictor, providing stable multi-objective signals while avoiding the prohibitive cost of physics-based methods. To ensure robustness in online RL, we further introduce a novel embedding-level diversity regularizer that mitigates mode collapse and promotes sequence-level diversity among generated designs. Within a general RL formulation balancing multi-reward optimization, KL-divergence from a reference model, and diversity regularization, ProteinZero achieves robust improvements across designability, predicted stability, recovery, and diversity. On the CATH-4.3 benchmark, it consistently outperforms state-of-the-art baselines including ProteinMPNN, ESM-IF, and InstructPLM, reducing design failure rates by 36-48% and achieving success rates above 90% across diverse folds. Importantly, a complete RL run can be executed on a single 8xGPU node within three days, including reward computation and data generation. These results indicate that efficient online RL fine-tuning can complement supervised pretraining by allowing protein generative models to evolve continuously from their own outputs and optimize multiple design objectives without labeled data, opening new possibilities for exploring the vast protein design space. Code and model checkpoints are available at https://github.com/ziwenwang28/ProteinZero.

Diffusion models represent the state-of-the-art for solving inverse problems such as image restoration tasks. Diffusion-based inverse solvers incorporate a likelihood term to guide prior sampling, generating data consistent with the posterior distribution. However, due to the intractability of the likelihood, most methods rely on isotropic Gaussian approximations, which can push estimates off the data manifold and produce inconsistent, poor reconstructions. We propose Equivariance Regularized (EquiReg) diffusion, a general plug-in framework that improves posterior sampling by penalizing trajectories that deviate from the data manifold. EquiReg formalizes manifold-preferential equivariant functions that exhibit low equivariance error for on-manifold samples and high error for off-manifold ones, thereby guiding sampling toward symmetry-preserving regions of the solution space. We highlight that such functions naturally emerge when training non-equivariant models with augmentation or on data with symmetries. EquiReg's largest gains are under reduced sampling and measurement consistency steps, where many methods suffer severe quality degradation. By regularizing trajectories toward the manifold, EquiReg implicitly accelerates convergence and enables high-quality reconstructions. EquiReg consistently improves performance in linear and nonlinear image restoration tasks and solving partial differential equations. Our code is available at https://github.com/Anima-Lab/EquiReg

We study inverse problems where an unknown potential is observed only through samples from the measure it induces by a convex variational principle. Such problems arise in learning costs, energies, and dynamics from distributional data, but the associated forward solution map is typically nonlinear and implicit. We show that its optimality gap nevertheless yields convex empirical objectives for finite-dimensional potential classes, and we introduce sharpened Fenchel--Young losses that add a data-dependent discrepancy inside the forward problem. This keeps the estimator calibrated while improving the local geometry of the loss. Our main stability theorem separates the inverse error analysis into measurement error, forward perturbation, and empirical curvature. We instantiate this principle for inverse entropic unbalanced optimal transport and for inverse Jordan--Kinderlehrer--Otto (JKO) learning from independent snapshot samples, obtaining high-probability parameter recovery bounds. JKO schemes discretize Wasserstein gradient flows through a sequence of variational problems over measures, making them a natural language for population dynamics observed through snapshots. In this JKO case, the sharpened objective reduces to an unbalanced transport problem, which also clarifies the connection between variational gap losses and quadratic iJKO$^\star$ surrogates. Numerical experiments illustrate the conditioning effect of sharpening and its benefits for sparse inverse-gradient-flow recovery.

Diffusion models excel in solving imaging inverse problems due to their ability to model complex image priors. However, their reliance on large, clean datasets for training limits their practical use where clean data is scarce. In this paper, we propose EMDiffusion, an expectation-maximization (EM) approach to train diffusion models from corrupted observations. Our method alternates between reconstructing clean images from corrupted data using a known diffusion model (E-step) and refining diffusion model weights based on these reconstructions (M-step). This iterative process leads the learned diffusion model to gradually converge to the true clean data distribution. We validate our method through extensive experiments on diverse computational imaging tasks, including random inpainting, denoising, and deblurring, achieving new state-of-the-art performance.

Inverse problems are important mathematical problems that seek to recover model parameters from noisy data. Since inverse problems are often ill-posed, they require regularization or incorporation of prior information about the underlying model or unknown variables. Proximal operators, ubiquitous in nonsmooth optimization, are central to this because they encode priors and yield efficient iterative algorithms. They have also recently become key to modern machine learning methods, e.g., plug-and-play methods with learned denoisers and deep neural architectures for learning priors of proximal operators. The latter was developed partly due to recent work characterizing proximal operators of nonconvex priors as subdifferentials of convex potentials. In this work, we propose to leverage connections between proximal operators and Hamilton--Jacobi partial differential equations (HJ PDEs) to develop deep learning architectures for learning the prior. In contrast to other existing methods, we learn the prior directly without recourse to inverting the prior after training. We present numerical results in dimensions up to $64$, where the recovered prior is evaluated in a single forward pass.

Latent generative models have emerged as powerful priors for solving inverse problems. These models typically represent a class of natural signals at a single, fixed complexity, governed by the latent dimensionality. This can be limiting: depending on the problem, a latent dimensionality that is too small may result in high representation error, while one that is too large may overfit to noise. We develop tunable latent priors for diffusion models, normalizing flows, and variational autoencoders, leveraging nested dropout. Across tasks including compressed sensing, inpainting, denoising, and phase retrieval, we show empirically that tunable priors consistently achieve lower reconstruction errors than fixed-complexity baselines. In the linear denoising setting, we derive the optimal complexity in closed form, showing how it depends on the noise level and the signal spectrum. This work demonstrates the potential of tunable latent generative priors and motivates both the development of supporting theory and their application across a wide range of inverse problems.