Ill-Posed Inverse Problem

This work studies the inverse problem of recovering the relative magnitudes of the tension, bending, and bearing loads acting on a crack from its stress-intensity-factor profile along the crack front, using the public SIFBench finite-element data. The central claim is not forensic load recovery on field cases, but a rigorous characterization of when the combined load is identifiable at all, together with an estimator that returns calibrated uncertainty precisely in the regimes where it is not. For a known geometry the forward map from loads to profile is exactly linear, and identifiability reduces to a single geometric question: whether the three elementary load profiles are linearly independent as functions along the front. When they are nearly dependent, many different load combinations produce almost the same profile and the inverse problem is illposed; the analysis shows that the degree of ill-posedness is controlled by an intrinsic stability margin, not by the conditioning number alone. A single crack-front operator serves both as a structured forward surrogate and as the differentiable map required by a simplex-constrained, set-valued inverse estimator. On the SIFBench corner-crack scenario the empirical behaviour matches the theory: the typical geometry is well posed while a sizable minority is genuinely ill-posed, so a point estimate is reliable on the majority and provably uninformative on the rest. Validation is on controlled synthetic noise; no real fracture cases are used or claimed.

Small-data inverse design is challenging in engineering informatics when observations are heterogeneous, mixed-type, and constrained by physical relations among design variables. This work proposes a topology-aware surrogate framework guided by an Incremental Transformer (INCRT) for physics-constrained inverse design, applied to geopolymer mixture design. The method integrates intrinsic-dimensionality analysis, mixed-variable design-space representation, tabular surrogate prediction, INCRT-based manifold rationalisation, and constrained inverse optimisation. Using a public benchmark of fly-ash and slag-based geopolymer concrete mixtures with compressive-strength and carbon-emission targets, the high-dimensional design space proves strongly redundant, organising around fewer effective mixture regimes. Compressive strength requires nonlinear tabular surrogates, while carbon emission is largely determined by composition and well recovered by regularised linear models. INCRT thus acts not as a replacement for tabular predictors but as a rationalisation layer providing prototype regimes and a manifold-support score for inverse design. Three strategies are compared: unconstrained surrogate optimisation, physics-constrained optimisation, and topology-aware physics-constrained optimisation. Unconstrained optimisation can match target strength but may yield physically invalid or off-manifold candidates; physics-only constraints do not always ensure data support. The topology-aware strategy yields candidates balancing target compliance, carbon reduction, physical admissibility, and proximity to the learned feasible manifold. The framework aims not to replace experimental validation but to support screening of credible candidate mixtures from small, mixed, physically constrained engineering datasets.

Metal-organic frameworks (MOFs) offer a highly modular platform for adsorptive gas separation, yet their vast reticular design space makes inverse design difficult under simultaneous constraints of chemical validity, separation performance, and structural diversity. Here, we present LEMO Agent, a large-language-model agent framework for closed-loop inverse design of gas-separation MOFs in MOFid space. LEMO Agent couples language-based candidate generation with MOFid standardization, explicit validity checking, Transformer-based property prediction, structured design memory, and multi-island exploration. Through iterative generate--validate--evaluate--remember cycles, the agent uses feedback from both successful and failed candidates to guide chemically constrained search across linker, metal, and topology choices. We evaluate LEMO Agent on CH$_4$/N$_2$ and CO$_2$/N$_2$ separation tasks. Compared with representative generative, optimization, and agentic baselines, LEMO Agent enriches high-performing candidates, improves predicted separation performance, and maintains broad chemical and topological diversity. Selected candidates are further reconstructed, evaluated by GCMC simulations, and passed through an experimental down-selection workflow based on chemical feasibility and ligand purchasability, leading to initial wet-lab synthesis and SEM characterization. These results demonstrate that large language model agents can serve as interpretable and scalable design engines for accelerating MOF discovery beyond conventional fixed-library screening.

This paper proposes a new notion of robust invertibility for nonlinear dynamical systems, and introduces constructive parameterizations of recurrent neural network which are robustly invertible by design. We define robust invertibility as the existence of a causal inverse system such that both the forward and inverse systems are contracting and have bounded incremental input-output gains (the system is bi-Lipschitz), implying that both forward prediction and input reconstruction are robust to signal perturbations and initial-state mismatch. We construct robustly invertible recurrent models via series composition of static orthogonal layers and dynamic layers satisfying a strong input-output monotonicity property, and provide a differentiable neural network parameterizations in the form of the bi-Lipschitz recurrent equilibrium network (BiLipREN). Additionally, composition with dynamic orthogonal layers yields a nonlinear minimum-phase/all-pass (a.k.a. inner--outer) factorization. We illustrate the utility of the framework through a series of application examples in data-driven internal model control, dynamic surrogate loss learning, and signal-space normalizing flows, illustrating its utility for robust control, trajectory optimization, and generative modeling of complex trajectory distributions.

We study the recovery of sparse functions from finite, noisy, and indirect observations in the framework of statistical inverse learning. The unknown is modeled as an element of $\ell^1$, and observations are generated through a possibly nonlinear forward operator $A:\ell^1\to H$, where $H$ is a vector-valued reproducing kernel Hilbert space. We propose an $\ell^1$-regularized empirical risk minimizer and develop a theoretical analysis of its statistical properties. Under mild assumptions, we establish almost-sure consistency and derive non-asymptotic high-probability convergence rates in both the prediction and $\ell^1$ reconstruction norms. The rates depend on the source smoothness parameter $r$, characterized by a variational source condition, and the effective dimension exponent $b$, describing the polynomial spectral decay of the covariance operator. We further prove matching minimax lower bounds, showing that the obtained convergence rates are optimal. To relate the theory to practical sparsity models, we consider finitely smoothing operators of the form $A=G\circ S$, where $S$ is a synthesis operator, and show that approximation-space assumptions imply the required variational source conditions. In particular, we prove that membership in the approximation space $k_t$ is equivalent to polynomial decay of the best $n$-term approximation error. Finally, we verify the assumptions for two representative inverse problems: reaction coefficient identification in elliptic PDEs and sparse computed tomography. For filtered Radon transforms, we derive explicit effective-dimension asymptotics, yielding concrete convergence rates for standard image models and sparsifying systems.

Real-image diffusion inversion is governed by a tight quality-cost trade-off, with costs incurred in computation, storage, or per-image optimization. We study this trade-off through the forward Gaussian noise anchor that defines a diffusion trajectory and isolate two mechanisms behind effective stored-noise inversion. First, diffusion noise exhibits an element-wise compression asymmetry: int8 full-dimensional anchors preserve reconstruction, whereas low-dimensional subspace summaries are much less reliable, often collapsing even at comparable or smaller payloads; the element-wise over subspace ordering persists across five stored-noise inversion methods. Second, inversion is trajectory-bound and score-prior coupled: the matched forward anchor and a trained score network are both necessary, arguing against a purely algebraic-identity explanation. Together, these findings specify what to store and how to use it. They lead to Noise-Anchored Reverse Correction (NARC), a training-free inversion primitive that stores a single int8 latent anchor and reuses it with a fixed, noise-level-dependent anchor-weight schedule: strong anchoring when the reverse trajectory is noise-dominated, then relaxed anchoring as image detail emerges. On PIE-Bench++ with Stable Diffusion 1.5, NARC outperforms five modern non-exact baselines and improves PSNR by +3.24 dB over PnP DirectInv while using about 400x less inversion storage than PnP DirectInv. The compression asymmetry, anchor specificity, and editing plug-in also transfer to SDXL 1024^2.

Many problems in science and engineering are difficult to model accurately, either due to unknown physical mechanisms, poorly quantified measurement uncertainty, or prohibitive computational costs of high-fidelity simulations. These challenges limit the applicability of classical probabilistic inference methods such as Markov chain Monte Carlo, especially in high-dimensional Bayesian inverse problems. As data from scientific experiments become increasingly available, machine learning methods offer a flexible alternative to explicit parametric modelling. We study neural likelihood approximation, where the goal is to learn the likelihood function directly from data without explicit knowledge of the underlying data-generating process. A common approach trains likelihood surrogates by minimizing the Kullback-Leibler divergence between the true posterior and an approximate posterior, which is equivalent to minimizing the expected negative log-likelihood. This work improves the theoretical foundations of neural likelihood approximation by alleviating limitations of restrictive model classes: we show that, by working with un-normalized potentials and folding normalization into the training objective, the resulting learning problem is strictly convex. We show that empirical minimizers of the resulting data-driven objective converge to the true likelihood as the sample size grows. Numerical experiments for the neural likelihood approximation are conducted for a deblurring and a non-linear PDE based imaging problem.

Physics-informed neural networks (PINNs) often face ill-posed optimization, competing losses, and parameter compensation in partial differential equation (PDE) inverse problems. Transfer learning can reuse source-task representations, but direct fine-tuning may induce negative transfer when source and target physics differ, leading to low field error but inaccurate parameter recovery. To address this issue, we propose Target-Guided Selective Reweighting PINN (TGSR-PINN), a target-evidence-driven representation correction method for PINN inverse transfer learning. TGSR-PINN transfers source network weights and biases but initializes target physical parameters independently. After short target adaptation, it scores neurons using first-order Taylor sensitivity and pre-activation variance on fixed batches. These scores are converted into continuous weak-adaptation signals using a Gaussian mixture model with rank fallback. TGSR-PINN then applies bounded selective soft decay to the corresponding input weight rows and biases without pruning or resetting them. Experiments on a zero-source high-Péclet inflow--outflow problem with nonzero Dirichlet data and an outflow boundary layer, Allen--Cahn to Burgers cross-PDE transfer, and 5%-noise reaction--diffusion inverse problems show that TGSR-PINN improves parameter recovery while maintaining low field error. Ablation studies indicate that neuron target scoring, weak-adaptation estimation, layer protection, and selective soft decay jointly contribute to the observed benefits.

Vibration-based damage identification in civil infrastructure is a challenging, ill-posed inverse problem due to measurement noise, sparse sensor arrays, and environmental variability. While deep learning is powerful for system identification, deterministic approaches lack reliable uncertainty quantification and can yield physically inconsistent results. This work proposes a robust probabilistic Scientific Machine Learning (SciML) framework: a physics-informed Gaussian copula variational autoencoder (PI-GCVAE) for structural health monitoring (SHM). First, we eliminate the need for data-driven surrogates by embedding a differentiable numerical eigenvalue solver directly into the VAE architecture. This ensures that latent space samples satisfy the governing equations of structural dynamics, reducing the trainable parameter space and improving generalization. Second, we replace the conventional independence assumption of latent variables with a Gaussian copula. This model captures complex, physics-dependent spatial cross-correlations between adjacent structural elements, defining feasible solutions while accounting for inherent system variability and measurement errors. Third, compared with alternatives such as Gaussian mixtures, our copula-based VAE provides an efficient distributional model for high-dimensional, strongly correlated latent spaces. We validate the approach using a synthetic dataset of a simply supported bridge subjected to various damage scenarios and corrupted with stochastic Gaussian noise. Synthetic data enables exhaustive validation against ground-truth stiffness values unavailable in practice. Results demonstrate that the PI-GCVAE accurately recovers the true posterior distribution, achieving 77.2% coverage. The proposed framework provides a reliable, scalable tool for early-stage damage diagnosis in operating bridges.

High-resolution velocity models are crucial for reservoir characterization and subsurface delineation. However, the band limited nature of our surface recorded data limits resolution. Utilizing well measurements to enhance the resolution of our subsurface models is an important objective. To this end, we present a diffusion-guided framework for structurally preconditioned velocity-model reconstruction from sparse well-log information. The proposed approach combines plane-wave PDE regularization, structurally preconditioned inversion, and measurement-guided diffusion posterior sampling within a unified formulation. Local structural slopes estimated through plane-wave destruction are used both to propagate well information along geological dip directions and to guide the diffusion sampling process through a joint velocity--slope generative prior. Numerical experiments on the Volve synthetic model and the Viking Graben field dataset demonstrate that the proposed framework improves structural continuity, lateral consistency, and geological realism compared with conventional structurally preconditioned inversion approaches while maintaining computationally practical inference through DDIM sampling.

Emergent misalignment (EM) -- the broad misbehaviour a language model acquires after fine-tuning on narrow harmful data -- is mediated in Qwen2.5 models by a latent persona direction, and that direction is causal in open weights. Transplanting it into a model that shares only pretraining with its source induces broad EM (2.83 +/- 0.26% misaligned against a random-direction floor of ~1.1%), and ablating a model's own direction roughly halves an overt inducer's broadcast (21% to 10%). The transplant doubles as a measurement method, causally assaying directions that a source model represents but cannot itself express. Whether a fine-tune recruits this persona depends on method and capacity, and since low-rank PEFT is the cheaper regime at scale, the recruiting method is also the economical one. On Qwen2.5-32B, low-rank LoRA on insecure code recruits it (3.4% misaligned) while full SFT on identical data does not (0.3%) and moves against the persona axis (drift-persona cosine +0.17 at rank 1 to -0.10), the far-inducer, high-capacity exception consistent with a representational-distance x capacity account. The persona's causal role is itself conditional. Steering a bad-medical SFT run away from the direction during training raises the broadcast from 24% to 51% while a matched random control lowers it, so removing the direction is no blanket recipe. Because recruitment is a loss-reducing shortcut that capacity renders redundant, it can be screened for and prevented in the tested instances. Persona loss-relevance at the SFT solution orders four inducers' broadcasts rank-perfectly within Qwen2.5, inoculation removes recruitment selectively (4.75% to 0.0%, code coherence 65% to 87%), and fine-tuning orthogonal to the single behaviour-derived axis reduces it persona-specifically. Results are a controlled case study of one model family, single-seed in places.

Seismic wavefield simulation is fundamental to seismology, but conventional finite-difference (FD) methods remain limited by numerical dispersion and stability constraints, which often require dense spatial grids and small time steps and thereby severely limit the effectiveness of iterative inversion workflows. We introduce a conditional diffusion-based wavefield propagator that advances seismic wavefields recursively from one time step to the next. Instead of learning an unconditional data distribution of wavefield evolution, the model is conditioned by a short history of recent wavefield time steps (snapshots), the velocity model, and the wavefield time step index, allowing it to represent the conditional transition between adjacent physical states. By training the network to directly predict the clean next wavefield snapshot, this strong physical conditioning makes it possible to replace the iterative reverse diffusion process with a single network evaluation for each predicted snapshot. To improve stability over long recursive rollouts, we further introduce a causal time-weighted loss, in which adaptive weights, accumulated as exponential moving averages of per-snapshot training errors, emphasize training directions that are consistent with the forward propagation sequence and reduce the amplification of one-step prediction errors. Because the learned propagator is tied to the temporal spacing of the training snapshots rather than to the FD stability limit, it can advance the wavefield using a physical time step ten times larger than that required by the underlying solver. Experiments on the Overthrust, SEG/EAGE, and Marmousi models show that the proposed method accurately reproduces wavefield snapshots and shot gathers and achieves an end-to-end speedup of 2.17 x over a GPU-accelerated tenth-order staggered-grid FD implementation under matched hardware conditions.

This paper presents a machine learning framework for data-driven inverse design of V-beam thermal sensors. The goal is to determine the optimal sensor geometry: beam inclination angle, beam length and beam width that achieves a target displacement under a given temperature. The design should also provide the geometry with minimum structure volume and minimum mechanical stress the sensor must support. This problem is ill-posed as for a given displacement there are multiple possible geometric configurations, causing direct regression methods to fail. We document a series of five exploratory trials that progressively revealed the nature of the problem culminating in a two-phase solution: a neural network forward model trained to map geometry and material constants to sensor responses, a gradient-descent inverse optimization over the frozen forward model, minimizing stress and volume simultaneously. The proposed pipeline utilizes a 3000-sample dataset and achieves a MAPE of 4.76% for predicting the displacement, more than 70% of predictions having MAPE of under 5%.

Meta-learning without labeled data is crucial for real-world applications, where obtaining labeled datasets can be expensive or restricted due to privacy concerns. Data-Free Meta-Learning (DFML) addresses this challenge by leveraging pre-trained models without access to training data. However, existing DFML methods rely on model inversion to generate training data, a process that is generally difficult and computationally expensive due to the need to generate high-dimensional data matching the original distribution. To address this limitation, we propose a novel meta-learning setting that avoids model inversion by jointly leveraging pre-trained models and unlabeled data. Our method generates meta-training tasks by assigning soft labels from pre-trained models to unlabeled data. Since the quality of these tasks can vary, we introduce a task-weighting mechanism based on task confidence and class distribution balance to ensure effective meta-learning. Extensive experiments demonstrate that our approach substantially reduces computational cost and improves generalization, achieving up to 104-fold speedup and 8.4 percent to 36.4 percent improvements in few-shot classification accuracy compared to state-of-the-art DFML methods.

While diffusion models have revolutionized image synthesis, their application to real-world inverse problems is often hampered by the need for massive datasets and the difficulty of imposing strict physical constraints. In this work, we introduce \textbf{SE-UNet} (Singular Equivariant UNet), a framework designed to solve ill-posed imaging tasks without extensive pre-training. By treating generation as an optimization problem constrained by geometric equivariance ($D_4$ group) and singular value gating, SE-UNet effectively standardizes the solution space. We demonstrate that these strong inductive biases allow for state-of-the-art zero-shot inpainting results (80% missing pixels) on CIFAR-10. Our method surpasses Deep Image Prior (DIP) baselines by over 4 dB in PSNR and exhibits a characteristic "singular snap" convergence -- rapidly locking into the signal manifold. SE-UNet thus offers a data-efficient pathway for constrained generation, aligning with the ReALM-GEN goal of bridging theoretical priors with practical deployment.

Mirror Illusion Art is a novel reflection-conditioned 3D illusion where one object yields two target appearances (front and mirror). The task is formulated as inverse design from two target 2D images (front and mirror) to a printable 3D object with geometry and texture. Prior topology-driven and shadow-based approaches demand substantial manual effort, optimize shape only, and often yield non-smooth or incomplete geometry. To address these challenges, we propose AutoMIA, an automated Mirror Illusion Art design pipeline that jointly optimizes shape and color. To stabilize optimization and suppress artifacts, four mechanisms are introduced: (1) projection-alignment component (PAC) selection to reduce surface noise, (2) position-weighted adaptive (PWA) suppression for background noise, (3) internal voxel preservation (IVP) to prevent internal fractures, and (4) shape-color decoupled (SCD) optimization that balance shape and color optimization. AutoMIA generate diverse smooth Mirror Illusion artworks successfully both in the digital and physical world, with only around 76s design time and 2.6 GB memory on average using a single RTX 3090, advancing inverse graphics and computational design. Our code is available at https://github.com/zxp555/AutoMIA.

Magnetic resonance imaging (MRI) reconstruction under realistic acquisition conditions can be fundamentally viewed as estimating the underlying k-space distribution from incomplete and noise-corrupted measurements. While diffusion models have recently shown strong potential as generative prior for inverse problems,existingapproachesstruggletohandlenoisyreconstruction settings, especially when operating directly in k-space domain. In this work, we propose a unified high-dimensional k-space reconstruction framework tailored for noisy inverse problems, whichenhancesdiffusion-based solversthroughrepresentation lifting.Ratherthanmodifyingthe underlying optimization procedures, the proposed framework augments the data representation space, enabling existing diffusion-based solvers to operate on enriched k-space embeddings with improved expressiveness. Extensive experiments on both in-house and public datasets across varying noise levels and undersampled factors demonstrate that the proposed frame work consistently improves reconstruction quality for multiple diffusion-based inverse solvers. Notably, the largest gains are observed in high-noise regimes, which is consistent with our theoretical analysis of error propagation under high-dimensional representation. These results suggest that high-dimensional representation provides a general and model-agnostic mechanism for improving diffusion-based MRI reconstruction in noisy settings, offering a new perspective on robust k-space generative modeling for practical inverse problems. The code will be available at https://github.com/yqx7150/HEP-MRIRec.

Operator learning for partial differential equations (PDEs) on arbitrary geometries builds fast neural surrogates for large-scale simulation. Although recent geometry-adaptive neural operators have made substantial progress, they are mainly designed for forward problems in which inputs and outputs share the same spatial domain. This limits their applicability for boundary value problems (BVPs) and inverse problems, where inputs and outputs may live on different domains. We introduce the Geometry-Adaptive Integral Autoencoder (GAIA), an operator learning model that encodes the domain boundary and the interior field distribution into geometry tokens, and conditions integral transform layers on these tokens via cross-attention, allowing the kernel to adapt locally to geometric features. This yields a single architecture for forward (including BVPs) and inverse problems on arbitrary domains in one pass, without retraining, iterative optimization, or graph construction. We evaluate GAIA on seven 2D and 3D benchmarks, four of which are new or substantially extended benchmarks for inverse problems and BVP: electrical impedance tomography, optical tomography, 3D Darcy flow on varying geometries, and a modified setting of Poisson BVP on mechanical components benchmark (MCB). GAIA sets new state-of-the-art results on every inverse and BVP task, reducing median relative $L^2$ error by 64% on airfoil flow reconstruction and 27% on EIT relative to the next best amortized method, and outperforming all baselines on every shape category of MCB. On other forward problems, GAIA is competitive with specialized solvers while maintaining stable accuracy across point resolutions on which transformer-based baselines degrade.

Colored sectors in a microbial range expansion encode more than lineage survival counts. We formulate a computer-vision inverse problem: from one endpoint image of an accretive multi-type expansion, recover the radius-indexed pairwise boundary-flow field and test whether the visual pattern is compatible with a transitive scalar fitness hierarchy. The observable is a geometric signal extracted from sector-boundary curves in log-polar coordinates. We prove endpoint observability and stability for frozen fronts, weighted transitive/cyclic decomposition, contact-complete circular design, physical-clock and mechanism non-identifiability, exact Gaussian cyclicity testing, and Bonferroni-valid interval scanning. The benchmark is deterministic: analytic endpoint images, blurred/noisy pixel round trips, scalar-null stress tests, public-image tracing, multi-resolution mechanistic endpoints, and a non-learning frozen-front simulator. The implementation recovers pairwise edge-flow histories from endpoint images, detects cyclic residuals in a mechanistic four-type expansion, and uses those residuals as forcing signals for a dimensionless active design-control layer covering reaction-diffusion control, phenotype-frontier optimization, protocol synthesis, Monte Carlo robustness, and a downstream population-state bridge.

This work investigates uncertainty-aware deep learning approaches for direction of arrival (DOA) estimation in automotive radar, focusing on probabilistic modeling and downstream integration. A circular-statistics-based von Mises (VM) ensemble (ENS) is compared with an evidential deep learning (EDL) framework based on a normal inverse gamma formulation, yielding a Student t predictive distribution in the Euclidean domain. The ENS framework produces angular predictions parameterized by (mu, kappa), enabling interpretable uncertainty aligned with directional geometry. Performance is evaluated under in distribution and multiple out-of-distribution conditions using risk coverage and ROC or AUROC analyses. Results indicate that ENS achieves lower uncertainty under nominal conditions and exhibits stronger sensitivity to severe perturbations, whereas EDL provides smoother uncertainty variation and slightly improved ranking consistency. Importantly, the ENS representation enables direct probabilistic integration into association modules via closed form VM likelihoods, facilitating a unified detection tracking pipeline. These findings highlight a trade-off between geometric consistency and statistical generality in uncertainty-aware DOA estimation.

While post-training backdoor detection and trigger inversion schemes have been developed for AIs used e.g. for images, there is a paucity of such methods for LLMs. First, the LLM input space is discrete, with up to 150,000^k k-tuples to consider with k the token-length of a putative trigger. Second, one must blacklist tokens typical of the putative target response (class) of an attack, as such tokens may give false detection signals. However, a comprehensive blacklist is not available, in general, for a given domain. We develop a highly effective detection and inversion framework for LLMs treated as classifiers. Central to our approach is class subspace orthogonalization (CSO), a novel plug-and-play paradigm for backdoor detection that serves two fundamental roles when applied to LLMs: i) it enhances both sensitivity and specificity of a baseline detector; ii) it provides a form of implicit blacklisting, as it penalizes against inclusion, in a candidate trigger, of tokens that induce signal perturbations "in the direction of" the putative target class of an attack. One version of our detector performs continuous optimization in token embedding space, while a companion trigger-inversion and detection method performs greedy accretion in discrete token space. Our methods give both strong detection performance and accurate inversion of ground-truth triggers on several LLM classification domains, and for several different LLM architectures.

We demonstrate the application of Flow Matching, a technique originating from generative Artificial Intelligence, to probabilistic inversion in geophysical settings, such as seismic Full-Waveform inversion. We adapt the well-established mathematical theory of Flow Matching from generative Artificial Intelligence to the context of probabilistic inversion. We evaluate the approach with two case studies: a simple 2D velocity model to illustrate the general features of the method, and the OpenFWI dataset to show its capabilities for probabilistic inversion of more complex seismic velocity models.

Reconstructing physics-based 3D assets -- geometry, materials, and illumination -- from multi-view images is a core problem in computer graphics and vision, and a prerequisite for realistic relighting and editing. Physics-based inverse rendering offers an accurate image-formation model, but is severely underconstrained: without strong priors, illumination is baked into materials, and reconstructions generalize poorly to novel views and lighting. Data-driven diffusion models, in contrast, predict visually plausible materials, yet their predictions rarely satisfy the rendering equation and are not directly usable for physics-based rendering. We bridge these two paradigms rather than replacing either. Our key idea is to treat the predictions of a state-of-the-art diffusion model not as target material values but as a similarity kernel for optimization: we introduce a regularization loss that penalizes deviations in the optimized material over surface regions where the diffusion predictions are near-constant, while leaving the optimization free to match the input images. Built on this regularizer, our end-to-end pipeline jointly reconstructs geometry, materials, and illumination, yielding high-quality assets that drop into standard rendering pipelines and relight faithfully. On the Synthetic4Relight, Stanford-ORB, and DTC-Synthetic datasets, our method significantly outperforms state-of-the-art baselines in both reconstruction accuracy and relighting quality.

Learned reconstruction operators for inverse problems are typically trained under a fixed noise model, and generalize poorly when the distribution during testing differs from the one assumed during training. Distributionally robust optimization (DRO) addresses this by optimizing against the worst-case distribution within a prescribed ambiguity set, but standard Wasserstein DRO perturbs the full joint distribution uniformly, which can be overly conservative and ignores the physics of the measurement process. We develop a structured DRO framework in which the ambiguity set is restricted to structured perturbations aligned with the data-acquisition process. This allows us to learn data-driven reconstruction operators that remain robust to distributional shifts. By constraining perturbations to subsets such as $P(Y|X)$, our framework models uncertainty in the forward operator and noise model more faithfully, accommodating any noise model expressible as a stochastic forward operator. We establish strong duality for this general formulation and derive explicit finite-dimensional dual representations for perturbations in the joint, marginal, and conditional distributions. A central result is an explicit worst-case risk bound that induces Tikhonov regularization on the Lipschitz constant of the reconstruction operator, and is less conservative relative to standard DRO for well-posed problems. Numerical experiments on deblurring and sinogram-to-CT reconstruction demonstrate improved robustness, stability, and interpretability over standard DRO and MSE baselines. In the linear setting, the learned operator becomes effectively low-rank, truncating at the intrinsic dimension of the data and recovering a data-driven analogue of truncated-SVD regularization.

We investigate the reconstruction of holographic duals for strongly coupled quantum field theories in regimes characterized by large hierarchies and the presence of false vacua. Within the gauge/gravity duality, these features translate into non-trivial thermodynamic behaviour and exotic renormalization group flows, including skipping flows between non-adjacent fixed points. Building on previous work based on Physics-Informed Neural Networks (PINNs), we extend the holographic inverse problem of reconstructing the bulk scalar potential from boundary thermodynamic data into this new regime. This setting presents a variety of conceptual and numerical challenges, such as near-degenerate states, large hierarchies of energy scales, and regions of the potential that are not directly probed by the input data. We develop a set of methodological advances that overcome these obstacles, thereby improving the established PINNs-based methodology and extending it to new physical regimes of interest that were previously out of reach. Applying the developed framework, we demonstrate accurate reconstruction of scalar potentials deep into the false vacuum regime, achieving robust agreement with the physical features of the underlying thermodynamics despite significant numerical stiffness. Our results extend the bridge between holography and machine learning, and suggest that data-driven approaches can provide new insights into the structure of strongly coupled systems.

Benefiting from the strong ability to capture data distributions, diffusion models have become powerful tools for solving image inverse problems. The key is to controllably steer the sampling trajectory toward the measurements while respecting the diffusion prior. In this work, we introduce Stochastic Optimal Control Sampling (SOCS), which models the denoising process as a dynamical system and injects control signals via SOC. Previous SOC-based approach addresses inverse problems by optimizing over the entire trajectory, which is computationally expensive. In contrast, we derive a closed-form control update and apply it at each sampling step, pulling the measurement-consistent clean prediction back onto the denoising flow. In SOCS, we can readily modulate the control strength to align with the diffusion model's native capabilities and thereby enhance perceptual quality. Our method is compatible with a variety of linear stochastic differential equation backbones. Extensive experiments across a broad spectrum of image inverse tasks demonstrate that SOCS achieves accurate measurement-aligned reconstructions with improved visual fidelity and stronger quantitative performance.

Physics-informed neural networks (PINNs) have recently emerged as a promising framework for addressing the Calderón inverse problem from limited boundary data. In this work, we revisit neural Calderón inversion by introducing multiscale boundary excitations based on randomized wavelet functions and investigating the role of Fourier-feature encoding (FFE) for representing sharp conductivity variations. We propose a physics-informed reconstruction framework that represents the unknown conductivity and the associated family of electric potentials with separate neural networks conditioned on the applied boundary excitations. The governing elliptic PDE is enforced through physics-informed residuals, while finite Dirichlet-to-Neumann (DtN) data are incorporated through boundary losses. Using synthetic data from a finite-difference forward solver, we evaluate the method on conductivity fields with inclusions, sharp interfaces, smooth profiles, and heterogeneous media. Results show that the framework recovers dominant conductivity structures from finite boundary measurements with relative errors between $3\%-12\%$ approximately. We show that FFE improves the reconstruction of localized sharp features, particularly for inclusions and interfaces, but are not universally optimal, with raw-coordinate networks performing competitively for smoother fields. These results highlight coordinate representations and boundary excitation design as key factors in neural Calderón inversion.

This paper presents a deep learning-assisted methodology for the inverse synthesis of a compact, wideband inverted Doherty power amplifier (PA). Convolutional neural networks (CNNs) and genetic algorithms (GAs) are jointly employed to generate pixelated Doherty combiner networks that integrate load modulation, impedance matching, power combining, and phase compensation into a single structure. As a proof of concept, we design and fabricate a GaN HEMT Doherty PA with a pixelated output combiner. The prototype achieves a measured peak drain efficiency of 51%-63% and a 6-dB back-off efficiency of 48%-54% over 1.9-2.5 GHz. Within the same frequency range, the measured output power is 44+/-0.3 dBm. Furthermore, with digital predistortion (DPD) applied, the prototype circuit demonstrates an adjacent channel leakage ratio (ACLR) better than -53.2 dBc.

We propose latent-space diffusion posterior sampling (L-DPS), an approximate Bayesian framework for high-dimensional inverse problems governed by partial differential equations (PDEs). The method addresses three challenges in PDE-constrained inversion: implicit sample-based priors without tractable densities, high-dimensional spatially distributed parameters, and the high cost of repeated forward-model evaluations during posterior sampling. L-DPS combines a variational autoencoder, an unconditional latent diffusion model, diffusion posterior sampling, and a differentiable neural surrogate. The VAE maps the parameter field to a lower-dimensional latent space, the diffusion model learns an implicit prior score in this latent space, and DPS combines this learned prior with likelihood-based guidance. The likelihood gradient is evaluated through the decoder-surrogate composition, avoiding repeated calls to the full numerical PDE solver. We evaluate the method on an inverse Darcy flow problem with an unknown spatially distributed permeability field inferred from sparse and noisy pressure observations. L-DPS produces accurate and robust inverse solutions, reduces inference cost relative to full-space DPS, and outperforms amortized inverse baselines such as conditional latent diffusion and inverse FNO in sparse and noisy regimes. We further compare L-DPS with a KLE-MAP baseline and study mixed-prior generalization and the sensitivity of inversion accuracy to surrogate forward-model error.

This paper describes an automatic method for adjusting or tuning models of multi-agent motion. Simulating the motion of bird flocks, human crowds, vehicle traffic, and other multi-agent systems is a widely used technique. These simulations model the behavior of a single group member (bird, human, or vehicle). The group behaviors (flock, crowd, traffic) emerge from interactions between group members. These models typically have many numerical control parameters. Even if each parameter is intuitive in isolation, their interaction can be complex and nonlinear. It is challenging to determine which parameters to adjust for the desired change in group behavior. Changing one aspect of group behavior often causes other aspects to change, leading to a tedious process of incremental changes. This work takes an inverse design approach. The desired group behavior is measured with a user-defined objective(/fitness/loss) function and optimized with a genetic algorithm. The objective function used here for basic flocking rewards proper spacing with neighbors, flying near a desired speed, and avoiding obstacles. Interestingly, the vivid alignment seen in bird flocks appears to emerge from maintaining proper spacing between flockmates.

Sampling from an unnormalized target density by reversing an Ornstein-Uhlenbeck diffusion requires the score of each noise-perturbed marginal law. Two exact identities are available: Tweedie's identity and a target-score identity, each yielding unbiased finite-reference score estimators for the OU-marginal score. Score estimators induced by scalar blends of Tweedie and TSI score estimators can reduce variance, but they are too rigid for singular or strongly anisotropic targets. We formulate blended score estimation as a conditional risk-minimization problem over matrix valued blending coefficients, referred to as gates. Our central result is to show the optimal matrix valued gate for blended score estimation is given $$G_\star(y,t) = α_t^2 \left(α_t^2 I_d + γ_t\, \mathbb{E}[H_0(X_0)\mid Y_t=y] \right)^{-1}, \qquad H_0=-\nabla^2\log p_0 .$$ Here $α_t = e^{-t}$ and $γ_t = 1-e^{-2t}$ are the OU coefficients, and the conditional expectation is under the OU posterior of $X_0$ given $Y_t=y$. We call this formula the \emph{Laplace-Fisher Gate Identity} (\LFGI{}). Because the Tweedie-TSI disagreement has conditional mean zero, the gate changes the score-estimator variance but not its expected value. We derive the variance-optimal matrix gate, record the Gaussian special case, and establish finite-reference consistency and stability bounds for estimating the gate from weighted reference samples. We then use the finite-reference LFGI score estimator for normalized density evaluation in Bayesian inverse problems. In regimes where MCMC pilot samples and derivative information are already available, LFGI uses those byproducts to construct a normalized surrogate for the posterior density. The resulting surrogate supplies information that the MCMC samples alone do not provide: posterior-energy evaluation, model-evidence estimation, and downstream density-based diagnostics. On a PDE-constrained inverse-problem benchmark, the LFGI surrogate improves posterior-density calibration and sampling diagnostics relative to the other tested score-estimator classes. Experiments using LFGI with known model evidence check absolute evidence calibration in both Gaussian and non-Gaussian settings.

Modeling chaotic systems is crucial yet challenging. Inverse problems in chaotic dynamics, namely inferring initial conditions from final states, remain largely unsolved because of ill-posedness, non-uniqueness, instability, and potentially chaotic time-reverse dynamics. We address this open problem with Bidirectional Conditional Flow Matching (Bi-CFM), which learns bidirectional mappings between distributions of initial and final states to capture the stochasticity of chaotic evolution and mitigate exponential error accumulation over time. Furthermore, for systems with conservation laws, we extend it to Conservation-constrained Bi-CFM (CBi-CFM). Across the classic Lorenz, Circuit, and high-dimensional Lorenz 96 systems, Bi-CFM improves five distribution-level metrics over baselines while achieving a speedup of more than two orders of magnitude. In the three-body planet-planet scattering problem in planetary dynamics, CBi-CFM better respects conservation laws, with conservation errors comparable to those of the ground truth. Finally, on real observations of globular clusters, collisional million-body systems shaped by $\sim 10^{10}$ years (10 Gyr) of evolution, our method represents an advance in accuracy, establishing a scalable route to solving inverse problems of long-timescale real-world chaotic dynamics.

Traffic accident reconstruction is a forensic inverse problem that requires recovering physically consistent motion from sparse and heterogeneous evidence. Existing learning-based approaches predominantly optimize for semantic plausibility or visual realism, rather than quantitative agreement with measurable geometry and dynamics. Here, we present TRACER, a training-free framework that formulates reconstruction as a closed-loop structured inference process. Instead of directly generating dense trajectories, our framework constructs and iteratively refines event-anchored motion hypotheses under geometric, kinematic, and interaction constraints, guided by structured case memory and consistency-driven diagnosis. This design enables incremental, interpretable corrections when evidence is insufficient, making the accident reconstruction process more aligned with the workflow of human experts. Experiments on real-world accident data show that TRACER achieves improved geometric fidelity, velocity consistency, and collision accuracy over both data-driven and physics-based baselines.

A growing family of training-free solvers -- FlowDPS, FLOWER, PnP-Flow and their diffusion ancestors (DPS, DAPS) -- repurpose a pretrained flow-matching prior to solve imaging inverse problems by adding a measurement-guidance term to the deterministic probability-flow ODE. Despite strong empirical results, what these per-step corrections actually approximate -- and how far the resulting samples are from the true posterior $p(x\mid y)$ -- has not been characterized. We give a posterior-transport account of flow-based inverse problem solving. Our starting point is a simple but consequential fact: for a \emph{deterministic} flow prior, Bayesian conditioning is realized entirely by a \emph{reweighting of the source distribution}, not by a drift correction; pushing the reweighted source through the \emph{unmodified} velocity field yields exact posterior samples. From this we show that trajectory-guidance solvers can be read as the minimum-kinetic-energy \emph{correction} field needed to morph the unconditional source into the posterior, and that FlowDPS / FLOWER / PnP-Flow correspond to distinct zeroth-order / Gaussian / proximal approximations of this single object; we bound the resulting posterior bias in Wasserstein distance. A controlled $2$D study with a closed-form posterior confirms the theory decisively: source reweighting matches the true posterior to the Monte-Carlo floor on every metric, whereas trajectory guidance incurs $200$--$800\times$ larger error and collapses posterior modes, \emph{regardless of guidance strength}. Guided by the analysis we propose a cheap, principled velocity-correction solver that is competitive across two in-domain priors (AFHQ, CelebA) and two out-of-distribution settings while, unlike point-estimate source-space optimizers, producing diverse posterior samples with uncertainty that correlates with reconstruction error.

In ill-posed inverse problems, the recovered solution depends as much on the prior as on the data, yet much of the engineering knowledge that could serve as that prior is recorded qualitatively rather than in formal mathematical form. Here we test whether sentence embeddings can act as an inference-time interface for injecting geological descriptions into a learned Darcy-flow inverse solver. Across six synthetic geological classes and an exploratory transfer to a benchmark reservoir model (SPE10), we vary only the conditioning representation and find that text conditioning reduces reconstruction error by 81 % relative to a no-text counterfactual. Most of this gain comes from a categorical, class-level constraint whose value concentrates where the hydraulic head leaves the conductivity field underdetermined, while within-class geometric detail is secondary and pattern-dependent. Compared with a discrete class label, sentence embeddings add little dense-observation accuracy but improve training stability and enable paraphrase-based sensitivity analysis and open-vocabulary inputs. These results show that language priors can serve as an engineering-informatics interface for injecting geological knowledge into learned inverse solvers, while clarifying when they help and what signal they actually carry.

Principled regression for stochastic processes is a long-standing challenge with deep connections to scientific inverse problems. We introduce Flow Annealing Posterior Sampling (FAPS), to our knowledge the first function-space posterior sampling framework that unifies stochastic-process regression and PDE inverse problems. Built on pretrained function-space flow-matching priors, FAPS enables likelihood-guided posterior inference from sparse and noisy observations, supports variable query discretizations, and avoids explicit prior-density evaluation. Its Langevin correction uses a low-rank covariance preconditioner to exploit dominant function-space correlations across discretizations. Across Gaussian and non-Gaussian stochastic-process regression benchmarks and diverse PDE inverse problems, FAPS produces coherent posterior samples with accurate uncertainty quantification, significantly outperforming existing functional regression baselines and achieving competitive or better PDE noisy inverse performance than diffusion-based posterior samplers while reducing test-time sampling cost.

Tool-augmented agents are typically evaluated by their gains under reliable external feedback. Yet these gains leave open a key counterfactual: when feedback is unreliable, would the agent be better off receiving no task evidence? We study this question with a controlled matched-loop comparison that fixes the agent loop, prompt, action space, and decoding, while varying only the returned observation: faithful, misleading, or absent. Across question answering and fact verification, persistent misleading feedback produces a value inversion: agents that benefit from clean tools can perform worse than the matched no-feedback fallback. On HotpotQA, Qwen2.5-7B reaches 44.8 F1 with clean retrieval and 22.3 F1 with no feedback, but drops to 4.7 F1 under shuffled retrieval. The inversion persists under stronger clean retrieval and locally plausible distractors, but weakens when later clean evidence can repair the trajectory. Early trajectory signals predict many failures, yet simple repairs remain fallback-limited: rejecting bad evidence helps only when the exposed fallback is reliable. These results show that clean-tool gains can overstate tool value, and that matched no-feedback fallback controls are necessary for evaluating tool-augmented agents.

Model-based and model-free reinforcement learning are traditionally viewed as separate paradigms: instead of learning a model of the transition kernel $P$, model-free agents typically estimate value functions tied to a specific policy and reward. In this paper, we challenge this dichotomy by proving that value-based agents trained on a sufficiently rich set of reward functions, e.g. using goal-conditioned RL, implicitly encode a unique and accurate world model. To extract this model in practice, we introduce \textit{$P$-learning}, an inverse analogue to $Q$-learning that samples from an agent's $Q$-values, policies and rewards to decode its internal model of the environment. We then provide sufficient conditions on the type and number of goals for which agents encode the true kernel $P$, covering both stochastic and deterministic MDPs over finite or continuous state spaces. Even when our assumptions are violated, we empirically demonstrate that agents trained on a handful of reward functions encode accurate dynamics in $\texttt{Reacher}$, $\texttt{MountainCar}$ and stochastic variants of $\texttt{FourRooms}$. Surprisingly, we find that policies trained exclusively on a \texttt{Reacher} agent's implicit world model are quasi-optimal on out-of-distribution, velocity-based goals despite position-only training -- suggesting that agents contain hidden generalisation capabilities and providing a new lens into the connection between model-based, model-free, and goal-conditioned RL.

Variational inference (VI) is a powerful method for principled posterior inference for scientific inverse imaging. VI learns the posterior distribution, often with a flow-based network, which can cheaply generate posterior samples upon optimization, and can flexibly incorporate score-based or classic priors. However, its application to large-scale image reconstruction is severely hindered by the poor scalability of the flow-based networks. In this work, we introduce ShuffleFlow, a scalable VI framework to address this challenge. Our method breaks down the problem into three parts: a pixel-unshuffling-based image coordinate sampler, a neural field as feature encoder, and a conditional normalizing flow (CNF) as posterior estimator. Specifically, our framework partitions an image into a stack of sub-images with pixel-unshuffling and uses a shared CNF to model the joint distribution of the sub-image stack. We condition the CNF on the output of a neural field, which embeds feature vectors corresponding to pixel-unshuffling sample locations to capture spatial structures, and share the flow's latent variable across the channels to model their correlations. We demonstrate our method's effectiveness and efficiency on both linear and nonlinear imaging inverse problems, and show its ability to more rapidly generate a high-sample-count posterior than diffusion samplers.

Inverse problems for differential equations arise throughout science and engineering, where one seeks to infer unknown model parameters from noisy or incomplete observations. Traditional numerical methods for these problems are often computationally expensive, particularly in Bayesian settings where evaluating the likelihood becomes costly for complex forward models and high-dimensional parameter spaces. To address this challenge, we introduce DeepGaLA, a neural-network surrogate for differential equation solvers that provides uncertainty-aware predictions, reducing overconfident inference when training data are limited. To evaluate the fidelity of the surrogate-induced posterior approximations in practice, we show that a short run of delayed-acceptance Markov chain Monte Carlo can serve as an effective diagnostic. Across a range of numerical experiments, DeepGaLA delivers forward-model approximations with accuracy comparable to established Gaussian-process surrogates, while better maintaining efficiency as parameter dimension grows. Moreover, it can incorporate differential-equation constraints, including in nonlinear settings. Overall, these results indicate that uncertainty-quantified neural surrogates can enable scalable and reliable Bayesian inference for inverse problems in complex systems.

Image restoration faces a fundamental tradeoff: methods that minimize error produce blurry reconstructions, while those that maximize perceptual quality yield sharp but less faithful images. Existing approaches either commit to a single operating point on this distortion perception (DP) frontier or require paired-data supervision, auxiliary models, or hyperparameter tuning of the sampler to access different points. We show that flow map models, a recent extension of flow matching for few-step sampling that learns an average field, implicitly define a one-parameter family of denoisers that continuously spans the DP frontier. The lookahead parameter t acts as a control knob between the MMSE and perceptual regimes. For Gaussian targets, we prove that varying t exactly recovers the optimal DP frontier; for natural images, we observe similar behavior empirically. Within a Plug-and-Play solver, the same mechanism extends to general inverse problems, where it controls a tradeoff between perceptual alignment and data consistency. Despite the lack of exact optimality guarantees in this setting, a single trained flow map spans the DP tradeoff, matching or exceeding specialized baselines at both extremes. Extensive experiments on CelebA ($128\times 128$) and AFHQ ($256\times 256$) across several linear and nonlinear inverse tasks validate our findings.

LiDAR place recognition determines one's position on a prior point cloud map. The most studied ground-level LiDAR place recognition suffers from pre-visit requirements, incomplete coverage, and limited perspectives. Using pre-acquired, full-coverage Airborne Laser Scanning (ALS) data as an aerial prior map overcomes these drawbacks, making cross-view place recognition necessary and advantageous. However, aerial-ground LiDAR place recognition faces significant challenges, including the domain gap between aerial and ground point clouds, and false positives during initial retrieval. To address these challenges, we present a novel retrieval and re-ranking framework for aerial-ground LiDAR place recognition. Based on the priors that neighboring point cloud patches share similar semantics with anchor patch, our retrieval network introduces patch-level self-supervised learning modules at multiple scales and integrates with scene-level learning to improve global feature discriminativeness between aerial and ground point clouds. Furthermore, leveraging the structured spatial distribution of ALS point clouds, we introduce an Expanded Reciprocal (ER) re-ranking algorithm to exploit neighborhood information maximally and refine each feature based on neighbor features, which are then used to update the similarity matrix for final ranking. Extensive experiments demonstrate that our retrieval network outperforms existing state-of-the-art (SOTA) methods, achieving a 9.8% improvement in average Recall@1 and a 3.2% improvement in average Recall@1% on the CS-Urban-Scenes, while also showing the best performance on the CS-Campus3D dataset. Additionally, our ER re-ranking algorithm further boosts the average Recall@1 by 4.9% on CS-Campus3D and 10.2% on CS-Urban-Scenes without additional training.

Finite-horizon optimal-control computations repeatedly solve two-point Pontryagin boundary value problems whose conditioning can deteriorate as the horizon grows. We give a verifiable data-level certificate under which it does not. Hyperbolicity of the reduced state--costate transition matrix, together with scaled stable--unstable boundary transversality, yields an endpoint-corrected Green inverse with horizon-independent constants and weighted contractions transfer this inverse to the nonlinear problem, so the original Pontryagin endpoint rows $x_0=x_{\rm in}$ and $p_T=r_x(x_T,y)$ carry a unique local stationary branch whose first-order expansion and Lipschitz constants are uniform in the horizon. Consequently the finite-horizon feedback map is horizon-uniformly Lipschitz, first-order expandable, and satisfies an exact shrinking-horizon consistency identity. Symplectic and Riccati criteria certify the hypotheses from matrix data: every stabilizable definite linear-quadratic system with invertible dynamics and a locally concave terminal Hessian at the reference qualifies. Reproducible computations illustrate both certificates.

Diffusion and flow-based models learn powerful data priors by training a denoiser to reverse Gaussian corruption. To use this prior to solve a linear inverse problem, one needs to sample from the posterior, but the score that the prior provides is the unconditional score, not the posterior score. Existing methods either steer a fixed pretrained denoiser with approximate measurement-matching corrections, or train a conditional restoration model that abandons the denoising structure of the prior. We derive the exact posterior score in closed form for linear Gaussian inverse problems under general Gaussian interpolants, and show that posterior sampling reduces to a denoising problem at an operator-dependent shifted pivot under an anisotropic noise covariance. We turn this identity into Exact Posterior Score (EPS), a denoising training objective that preserves the input/output structure of standard pretraining and can therefore be trained from scratch or fine-tuned from a pretrained denoiser. At inference, EPS uses the same sampler as the underlying backbone, with no likelihood gradients or projections. We evaluate EPS on five linear inverse problems across FFHQ and ImageNet, where it outperforms training-free and training-based baselines on fidelity, perceptual, and distributional metrics, while using roughly an order of magnitude fewer denoiser evaluations than gradient-based posterior samplers.

We prove that computing approximate stationary points of min-max optimization over the hypercube is PPAD-hard for quadratic polynomials. This holds even when the polynomials are multilinear, each variable appears in at most three monomials, and the approximation factor is inverse polynomial. As a direct consequence, we obtain the first PPAD-hardness results for two-team zero-sum polymatrix games.

Realistic visual simulation of food manipulation requires accurate material parameters, yet these are difficult to measure directly and vary across the heterogeneous regions of a single food item. We address the inverse problem of estimating material parameters from a target description of fracture behavior in a non-differentiable continuum damage mechanics simulator. Using orange peeling as a test case, we train a neural surrogate on 2,000 forward simulations and compare Covariance Matrix Adaptation Evolution Strategy (CMA-ES, a gradient-free evolutionary optimizer) with Proximal Policy Optimization (PPO, a reinforcement learning algorithm) across the original 9-dimensional parameter space and two learned 4-dimensional latent representations. Since different oranges have different material properties, a practical inverse system must handle arbitrary targets without retraining. We train a goal-conditioned PPO policy that learns a general inverse mapping: given any target description of peeling behavior, the policy produces a material parameter estimate in a single forward pass (8 surrogate evaluations, approximately 10ms). Operating in a normalizing flow latent space with a shared surrogate evaluator, the goal-conditioned policy achieves 0.642 actual recovery when validated through the simulator, outperforming the original parameter space by 23%. A warm-start extension that initializes CMA-ES refinement from the policy's output further improves recovery to 0.828 with 540 evaluations. These findings provide a practical framework for inverse food physics and lay groundwork for vision-driven material identification from video observations of food manipulation.

Driven by their remarkable success in computer vision and inverse problem solving, score-based models are increasingly applied to wireless communications, where they show promise across a range of physical-layer tasks. However, despite this growing interest, the current literature often lacks a rigorous analysis of when score-matching offers a tangible advantage over traditional discriminative learning. This paper aims to address this gap through the use-case of channel estimation, a fundamental inverse problem in wireless systems. We present a theoretically grounded interpretation of score-based channel estimation through the lens of the perception-distortion tradeoff, identifying the conditions where score matching excels as well as its key limitations. In particular, by modeling downstream wireless tasks (e.g., capacity maximization) as functionals of the channel estimation process, we quantify the excess risk incurred by standard distortion-minimization approaches. Extensive numerical results show that under high predictive uncertainty, the large excess risk gap can be offset by score-based estimation, enabling near Bayesian-optimal precoding via the learned posterior, whereas in the low predictive uncertainty regime, discriminative distortion-minimization approaches are preferable due to lower complexity and more efficient use of model capacity.

Sampling from high-dimensional, non-log-concave distributions with unnormalized densities is a fundamental challenge in machine learning, particularly when the exact gradient of the potential is unavailable and must be approximated via stochastic gradients that exhibit high variance under a fixed budget of gradient computations per iteration. Although variance reduction techniques such as SGD with momentum, STORM, and PAGE have demonstrated improved convergence properties in non-convex optimization, their implications for sampling from non-log-concave distributions remain largely unexplored. In this work, we develop the first unified analysis of these estimators for sampling from non-log-concave distributions. We establish improved non-asymptotic convergence rates in $\varepsilon$-relative Fisher information and, under a Poincaré inequality assumption, in squared total variation distance, and further prove weak convergence to the target distribution. We extend our analysis to solving inverse problems with score-based generative priors. We empirically validate our theory and demonstrate that, under a fixed gradient computations per iteration, variance-reduction techniques consistently improve sample quality in two standard imaging applications.

Interest in applying data-driven approaches in manufacturing has grown significantly, particularly for mapping complex, high-dimensional relationships. The milling process is one area where predictive models can link influential parameters to surface roughness metrics prior to in situ operations. While this approach offers clear advantages, it faces challenges due to limited datasets and robustness issues in inverse design paradigms. To address these challenges, this paper proposes a machine learning (ML)-based framework for the inverse design of the surface milling process, with a focus on surface roughness as the design objective. The framework employs forward training of two ML models, a deep neural network (DNN) and a random forest (RF) ensemble, both developed using a high-fidelity synthetic dataset generated from a computational simulation framework. These trained models are integrated into a Bayesian optimization (BO) procedure to overcome the multiplicity problem arising from the many-to-one mapping inherent in the dataset. The approach identifies top-performing milling process configurations, considering both process and tool parameters, and presents them from the full solution space. The models achieve average relative errors below 5% when compared to reference results, thereby demonstrating the robustness and reliability of the proposed methodology.

Large language models (LLMs) are increasingly deployed in privacy-sensitive domains, where users must balance the risk of data exposure through external APIs against the high computational cost of local deployment. Split learning has therefore emerged as a promising paradigm for LLM fine-tuning and inference under limited local resources. However, it introduces new privacy risks. Prior work primarily studies leakage of private input prompts, typically via inversion attacks on intermediate representations, while the potential for sensitive information leakage through generative response outputs remains largely unexplored. In this work, we unveil novel vulnerabilities of Split-LLM by presenting Patched Model Inversion with Dual-Sided Initialization (PIDI), a two-stage attack that simultaneously targets both private input prompts and output responses in Split-LLM settings. It combines dual-sided initialization with a patched inversion strategy to tackle long sequences, substantially outperforming prior inversion methods. To counter threats from both sides, we further propose the Adapter-based DualGuard with Mutual Information Defense (ADMI), which integrates an adapter-based local warmup strategy and mutual information regularization to provide a strong empirical privacy protection with minimal impact on task performance. Extensive experiments across diverse tasks and models demonstrate that ADMI effectively defends against PIDI and other state-of-the-art inversion attacks. Our code is publicly available at https://github.com/FLAIR-THU/VFLAIR-LLM.

Full waveform inversion (FWI) recovers subsurface velocity from seismic recordings by solving a severely ill-posed, nonconvex PDE-constrained optimization. Classical regularizers stabilize the inversion but fail to reproduce realistic geological structures; recent diffusion-prior methods improve realism at the cost of a fragile trade-off between data fidelity and prior consistency. We propose Decoupled Latent Optimization (DLO), which relaxes the standard latent-optimization formulation into a quadratic-penalty objective over an auxiliary physical variable and a latent variable. The data-fidelity gradient acts in physical space, the diffusion sampler contributes only through a decoded prior sample, and the standard smoothed-velocity initialization of classical FWI is preserved. On the OpenFWI benchmark, DLO outperforms classical regularizers and existing diffusion-based methods under clean, noisy, and missing-trace acquisitions. The prior, trained on 70*70 OpenFWI models, transfers directly to the Marmousi and Overthrust benchmarks, where DLO recovers intricate fault structures and remains robust to initialization smoothing and measurement noise.

We present Full-Self Diagnostics (FSD), a unified mathematical framework for recovering latent physiological states from unconstrained 9-second facial videos captured by consumer smartphones. The approach integrates five mutually reinforcing components: (1) a physics-based forward model derived from the radiative transfer equation and chromophore absorption that maps camera observables to biomarker concentrations; (2) an information-theoretic observability theory proving that multi-channel visual signals (spectral, pulse, respiratory, micro-expression, and oculomotor) contain strictly increasing mutual information with physiological state; (3) a stable, Tikhonov-regularized inverse problem with domain-uniform identifiability guarantees; (4) an operator-learning formulation that enables generalization across devices, resolutions, and populations; and (5) a supervised learning procedure, interpretable as stochastic variational inference, that continuously refines the model from paired biosensor ground truth with performance improving proportionally to one over the square root of the number of paired observations. Empirical validation on 38812 real-world paired scans across 59 subjects demonstrates practical performance. Self-collected data from the lead author (glucose range 35-550 mg/dL) yields MARD of 29.86 percent with 97.57 percent of predictions in Clarke Error Grid Zones A+B and only 0.27 percent in the dangerous Zone E. A well-managed diabetic participant achieves MARD of 17 percent in the narrower 70-180 mg/dL band. These results confirm that consumer-grade facial video encodes sufficient structured information for clinically relevant, non-invasive biomarker inference under fully unconstrained conditions, with performance scaling predictably as more paired data becomes available.

This paper reviews how a diverse set of popular data-driven priors commonly used in Bayesian inverse problems can be unified through their respective score functions. By framing these priors under this common perspective, we show that they can benefit from their straightfoward and effective integration into a recently proposed sampling algorithm. The applicability of this common framework is illustrated by considering several data-driven priors, namely regularization-by-denoising, normalizing flow-based priors, score-based generative models, and convex-ridge regularizers. For these four particular priors, the performance of the method is evaluated when conducting image inpainting and single image super-resolution. These results, as well as those obtained when restoring real images acquired in a geological context, demonstrate the efficiency of the method. This unified framework proves versatile enough to handle any posterior distribution defined by a broad class of score function-based priors, beyond the specific cases considered in this paper.

Physics-Informed Neural Networks (PINNs) are a machine learning method for solving forward and inverse Partial Differential Equations (PDEs). When applied to PDEs with Dirac delta functions in the forcing terms, boundary conditions, or initial conditions, PINNs require approximating them with smooth surrogate functions, a practice that can introduce significant modeling errors. In this work, we exploit the interpretation of PINNs as Residual Least Squares (RLS) methods and show that this perspective enables direct treatment of Dirac delta terms by integrating the weak-form equation. Among RLS formulations other than PINN, we focus on the Radial Basis Function (RBF) expansion (also known as a single-layer RBF Network). We show that while integrating out the Dirac delta in PINNs causes residuals to fail to converge to zero, RBF-RLS consistently provides good forward and inverse solutions to transport problems. We explain this finding using the Neural Tangent Kernel (NTK) theory. We test both approaches on linear PDEs that represent groundwater flow and transport in porous media and rivers. We solve inverse problems to fit synthetic data, noisy synthetic data, and real-world measurements.

Diffusion models provide expressive data-driven priors for Bayesian inverse problems, but many diffusion posterior samplers rely on heuristic guidance approximations that can fail for nonlinear operators and multimodal posteriors. In this work, we develop a stabilized path-space framework for diffusion-based posterior sampling. Starting from a base diffusion process whose terminal marginal represents the prior, we define a likelihood-weighted target measure on trajectories and cast posterior sampling as learning a controlled stochastic process whose path measure matches this target. This formulation connects diffusion posterior sampling to stochastic optimal control while preserving the Bayesian structure needed for uncertainty quantification. We introduce a time reparameterization that makes the path-space control problem well posed by removing the bias induced by the unknown initial value function, without auxiliary training. We then learn the control via a trust-region path-space optimization method with log-variance objectives. The path-space perspective also unifies our learned control approach with existing guidance-based samplers, quantifies the sampling error induced by approximate controls, and yields importance sampling corrections for asymptotically exact posterior expectations. We evaluate the proposed framework on a suite of benchmark inverse problems with analytically characterized or high-quality reference posteriors, enabling principled assessment of sampling accuracy and uncertainty quantification. These experiments provide insight into the behavior of diffusion-based posterior samplers and demonstrate improved accuracy and robustness over leading approaches.

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.

The rapid development of large language models (LLMs) has raised concerns about misuse such as plagiarism, misinformation, and automated influence operations, motivating the need for robust detectors. Recent work has shown that neural representations of writing style are effective for detection and, crucially, robust to adversarial attacks that defeat most existing detectors. However, current style-based detectors rely on authorship labels for training, and are limited to few-shot inference for detection, requiring in-distribution samples that may not always be available. We learn discriminative style features without authorship labels by training a style encoder to reconstruct human-authored text from its machine-generated paraphrase; freezing a semantic encoder during training biases the style encoder to capture only the non-semantic features needed for reconstruction. We evaluate the learned representations via two detection strategies: a few-shot detector and a zero-shot DeepSVDD-based detector. Across benchmarks, our method matches or outperforms all baselines in the few-shot setting and, in the zero-shot regime, is competitive with fully supervised classifiers on in-distribution test data while generalizing better to unseen LLMs. Beyond detection, the learned representations generalize to unseen tasks, achieving competitive performance on authorship verification and fine-grained style discrimination despite never being trained on either objective.

Acoustic metamaterial (AMM) inverse design is particularly challenging for broadband target responses due to acoustic dispersion: a structure that matches the desired response at one frequency may deviate at others, and modifying geometry to improve one sub-band often perturbs neighboring sub-bands. Yet existing broadband inverse-design approaches are either constrained by predefined templates, or rely on image representations that fail to preserve the geometric precision and structural connectivity required by acoustic structures. We present MetaSeq, a physics-guided, sequence-based generative framework for acoustic metamaterial inverse design. At its core, MetaSeq introduces a language that represents each AMM as a structured sequence, rather than as a pixel grid or fixed template. This representation preserves precise geometry, explicitly encodes connectivity, and casts inverse design as a sequence-to-sequence task from target response to structure sequence. MetaSeq further constructs a balanced, high-fidelity dataset with efficient calibration and complexity-based sampling. To address the one-to-many nature of inverse design, MetaSeq combines supervised pretraining with reinforcement learning fine-tuning guided by a physics-based solver and validity checker. Extensive evaluations against COMSOL and five baselines show that MetaSeq reduces response error by 45% over the best baseline.

Averaging a neural network over its random parameters and marginalizing a Gaussian sector are the same operation, the Schur complement of the eliminated block, and when that block is closed it returns a covariance and its inverse. That is all a network ensemble produces, the closed case. The open case is missing, and nuclear reaction theory has it worked out. Projecting a scattering problem onto a chosen set of channels, with the rest carrying probability irreversibly to a continuum, leaves a non-Hermitian effective generator that conserves and itemizes exactly what it loses: the nuclear optical model and its generalized optical theorem. I set the two cases side by side using only the moments of a distribution, the algebra of Gaussians, and block inversion, no field theory, and give the closed-case dictionary in full: the neural tangent kernel is the Fisher sensitivity kernel, the infinite-width Gaussian limit is the Gaussian-process emulator, and the lazy-to-feature transition is the validity boundary of a reduced-basis emulator. I then test the open export on a truncated attention map, a token-level transfer operator, and a sparse expert router, and report a mostly negative result. The conserved flux ledger ports wherever openness is genuinely present, but its distinctive content is absent, an artifact of the chosen partition, or pinned near a floor by the training objective, and the operationally useful uncertainty turns out to be epistemic, living in the closed half of the correspondence, not the open one. The negative has a structural reason this note makes precise: the open case needs an eliminated sector with a continuous spectrum and wave-like, not relaxational, dynamics, which mainstream learning's finite or dissipative objects do not supply. This is a note, not a result; its main finding is that negative one, and its value is the map that locates it.

Scientists have historically relied on mathematical models based on differential equations to relate system inputs -- forces, fluxes, or heat sources -- to outputs, such as displacement, velocity, concentration, and temperature. These models rely on deep domain knowledge to determine the form of the governing differential equation, which is then calibrated with data by solving an inverse problem. In recent years, the field of Scientific Machine Learning has introduced a variety of alternative modeling strategies for physical systems. A method called Sparse Identification of Nonlinear Dynamics learns the governing equation as a sparse linear combination of terms in a user-defined library. Neural Ordinary Differential Equations construct the governing equation by taking in the state and its derivatives at the input layer of a neural network. Entirely foregoing the modeling framework of differential equations, neural operators directly learn a non-linear mapping between the system inputs and outputs. From inverse problems to neural operators, all of these modeling strategies can be conceptualized as data-driven machinery to predict a system's response over a range of inputs. It is then natural to wonder how exactly these various strategies relate to each other, and whether they can be neatly taxonomized. Drawing from the philosophical literature on scientific models, we argue that many model types have a common structure, differing only in the assumed model class of the input-output relation they define. Connecting to philosophical ideas on mechanism, and arguing that data from physical systems arises from solutions to parsimonious differential equations, we propose that only certain models are capable of mechanism discovery, and thus generalization. Our analysis is intended to unite apparently disparate modeling strategies and provide insight into their appropriate use cases.