Ill-Posed Inverse Problem

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247 papers

Latest in Ill-Posed Inverse Problem

Sep 17, 2026cs.LG

PosteriorBench: From Point Estimates to Posterior Matching in Evaluating Generative Inverse Solvers

Generative models are increasingly used to solve scientific inverse problems, but existing evaluations still focus primarily on whether a method can produce a single plausible reconstruction. This is insufficient for ill-posed problems, where multiple solutions may be consistent with the same sparse or noisy observations. In these settings, a method can achieve strong pointwise accuracy while still failing to capture the true posterior through mode collapse, overconfident uncertainty, or averaging incompatible solutions. We introduce PosteriorBench, a benchmark for evaluating the distributional accuracy of generative inverse solvers. PosteriorBench evaluates four physics-based inverse problems: Darcy flow inversion, Poisson source recovery, carbon capture and storage, and light transport material inference. For each task, we construct high-fidelity reference posteriors using computationally heavy but established procedures such as rejection sampling and Markov chain Monte Carlo, enabling direct assessment of whether solvers recover the full set of solutions rather than the single best sample. We pair these references with a five-metric posterior evaluation suite: posterior-mean error, posterior-standard-deviation error, maximum mean discrepancy, sliced Wasserstein distance, and radially averaged power-spectrum error. These metrics assess pointwise accuracy, marginal uncertainty, distributional alignment, and global frequency fidelity. The benchmark spans sparse sensing, low-resolution observations, nonlinear forward models, varying noise levels, and multimodal priors, with a unified pipeline for distribution matching and uncertainty quantification. Our experiments reveal substantial distribution-matching gaps across current solvers, while showing that neural operators improve resolution robustness, and guidance weights and generation noise are key to posterior-variance calibration.
Jiachen Yao, Zi-Siang Hsu, Xi Deng +5
Sep 17, 2026cs.CV

FlowSGS: Improving Flow Matching Priors for Inverse Imaging with Stochastic Interpolants

Flow matching has emerged as the state-of-the-art generative model and has been used for plug-and-play (PnP) priors to solve inverse problems in computational imaging. However, existing flow-based inverse solvers assume linear forward models and/or make simplifying approximations in posterior sampling. To circumvent these problems, we introduce FlowSGS, a flow-based posterior sampling method using Split Gibbs Sampling (SGS) to decompose the posterior into a likelihood step and a prior step. Specifically, we sample from the likelihood step using Langevin dynamics and leverage the Stochastic Interpolants (SI) framework to integrate a pretrained flow model into the prior step. We provide a form for the prior step that uses SI's reverse-time SDE, and show connections to previous PnP methods. Moreover, with the aid of the flow prior's straight probability paths and a novel timestep correction technique for the reverse-time SDE, FlowSGS requires fewer network evaluations in its prior step than plug-and-play diffusion samplers. Our experiments show state-of-the-art performance on a range of inverse problems. For the first time, we provide an experiment on a nonlinear inverse problem (Fourier phase retrieval) for flow-based inverse solvers.
Tianao Li, Xinhui Qian, Emma Alexander
Sep 16, 2026eess.SY

Demystifying Linear Operator Learning for Control Systems

This paper proposes a structured approach to learning linear operators for control systems from data. We address both structural and learning-theoretic aspects of the problem. To derive structural assumptions, we propose using the well-established framework of (semi)groups for evolution equations, as operators in control systems are of the same type. Further, we propose analyzing learning algorithms through the lens of the inverse problems framework. This reveals how a learned model depends on the data via error decompositions, convergence guarantees, and optimal regularization -- enabling us to compare existing methods and derive provably advantageous algorithms. In order to obtain these results, we restrict our scope to bounded operators on Hilbert spaces. Although this may appear restrictive, existing approaches often make this assumption implicitly to obtain matrix-like representations. We demonstrate the power of using these frameworks by deriving a convergent estimator for time-varying systems.
Max Beier, Nicolas Hoischen, Sandra Hirche +1
Sep 16, 2026hep-th

Deep learning emergent spacetime from fermionic spectral functions in holography

We present a physics-informed machine learning framework based on Neural Ordinary Differential Equations that solves the holographic inverse problem: reconstructing the bulk spacetime and gauge field of a charged AdS black hole directly from boundary fermionic spectral functions. Encoding the UV asymptotics, horizon regularity, and zero temperature extremality as hard constraints in the neural network architecture, our framework reliably reconstructs the extremal Reissner-Nordström AdS geometry across three quantum critical regimes set by the U(1)U(1) probe charge---non-Fermi liquid, marginal Fermi liquid (strange metal), and Fermi-liquid-like states---and can jointly infer the probe charge itself to sub-percent accuracy. Relaxing the near-AdS boundary constraint uncovers a geometrical degeneracy: bulk profiles that differ throughout the radial direction but share the same near-horizon AdS2×R2AdS_2 \times \mathbb{R}^2 data reproduce identical spectral functions near the Fermi surface. This isospectral non-uniqueness is precisely the bulk degeneracy expected on general holographic grounds at zero temperature, and its spontaneous emergence across independent training runs shows that the network isolates the IR CFT universality rather than overfitting a single UV completion.
Koji Hashimoto, Hyun-Sik Jeong, Keun-Young Kim +2
Sep 14, 2026cs.LG

Backward SDEs-based Diffusion for Physics-Constrained Generation

Pretrained score-based diffusion models provide strong unconditional priors, yet enforcing measurement or physics consistency in inverse problems is often handled by heuristic guidance, intermittent projections, or task-specific conditional training, with limited guarantees of feasibility at the end of inference. We propose terminal-conditioned inversion for score-based SDE priors. Given a frozen Score-SDE prior and a task-defined terminal feasibility specification, we construct an associated backward stochastic differential equation whose adapted solution defines a principled inverse map from the terminal requirement to a prior state at a chosen noise level. Under standard regularity conditions, we establish existence and uniqueness of the adapted solution and obtain terminal consistency by construction. We further develop a practical neural BSDE solver that composes arbitrary pretrained diffusion priors with domain constraints without modifying the score-defined coefficients, producing an anchored prior state that enables neighborhood sampling for uncertainty characterization. Experiments on toy datasets validate stable terminal-conditioned inversion and distributionally consistent neighborhood sampling. As a real-world case study, we apply the framework to sparse-view CT reconstruction and achieve improved reconstruction quality over representative training-free baselines while satisfying strict measurement feasibility under the prescribed terminal specification. Project is available in: \href{https://laplacelab.github.io/BSDEDiffusion/}{https://laplace.center/icmlbsdeI/}
Zihao Wang
Sep 14, 2026cs.CV

Fast and Faithful: Principled Conditional Flow Matching for Inverse Problems

Flow matching approaches to imaging inverse problems commonly incorporate measurements in two ways. Conditioning-based approaches supply measurement-derived information as a network input, often through concatenation, while inference-guided approaches combine an unconditional velocity field with a separate data-consistency update. In these common formulations, the forward model is not explicitly enforced within the learned conditional velocity field. We propose a principled parametrization of the measurement-conditional velocity field to solve inverse problems. Under linear interpolation, we express the conditional velocity v(xt,t,y)v(x_t,t,y) in terms of the posterior mean E[x1xt,y]E[x_1 | x_t,y], and characterize that mean as the unique minimizer of a variational objective whose data-consistency term is explicit. We further prove that the velocity field defines a probability flow from the source distribution to the measurement-conditioned posterior. Splitting the variational objective yields a conditional velocity parameterization with operator-dependent data-consistency updates, which we train end-to-end under the flow-matching objective, with no additional guidance at inference. Our method achieves state-of-the-art PSNR with 50×50\times fewer function evaluations than the strongest flow baseline. Varying the sampling steps provides test-time control over the distortion-perception trade-off without retraining.
Shirin Shoushtari, Edward P. Chandler, Xiao Shi +1
Sep 14, 2026cs.LG

Physical-State-Guided Diffusion Sampling for Full-Waveform Inversion

Full waveform inversion (FWI) estimates subsurface velocity from seismic recordings, but its ill-posedness and nonlinearity make accurate reconstruction strongly dependent on initialization and prior information. Diffusion posterior sampling provides a learned geological prior, yet directly coupling its denoiser to the nonlinear wave solver can yield unreliable physical guidance. We propose Physical-State-Guided Diffusion Sampling (PSG), which couples a persistent physical velocity to the diffusion prior through a Gaussian bridge. The physical state is refined by waveform fitting regularized by the denoised velocity, and in turn guides the reverse diffusion process. This formulation separates the wave-equation and denoiser gradients while preserving conventional FWI initialization and accumulated optimization history. On four OpenFWI families, PSG's terminal denoised estimates outperform classical and diffusion-based baselines under clean and missing-trace acquisitions and maintain strong structural recovery under measurement noise. Repeated stochastic runs preserve the dominant geological structures, with ensemble variability concentrated near geological interfaces and positively associated with local inversion error. A frozen OpenFWI-trained prior further supports inversion of the larger Marmousi, Overthrust, and BP2004 Salt models, recovering complex geological structures without retraining.
Chen Min, Haowen Jiang, Zheng Ma +1
Sep 12, 2026cs.AI

Distributed Optimization of Modular Production Systems using Model-based Reinforcement Learning with Inverse Models

This paper presents a novel approach for data-driven self-learning control of highly flexible, modular manufacturing systems. Specifically, we employ a novel framework for model-based reinforcement learning which introduces approximate inverse process models within the training of reinforcement policies. This approach disentangles the learning of actuation dynamics and the dynamics in state space, resulting in RL-based training solely within the task space. We propose a lightweight feedforward architecture for approximate inverse models and integrate them within the policy network of standard RL algorithms. We apply the approach to a laboratory modular production testbed with heterogeneous production modules. The results underline the efficiency improvements for modular manufacturing units in terms of both performance and training speed, particularly for off-policy algorithms.
Andreas Schwung, Steve Yuwono, Sofiene Lassoued +1
Sep 10, 2026stat.ML

Learning Interaction Kernels from Collective Steady States

We propose a learning procedure for system identification in interacting particle systems from single-snapshot observations of collective behaviors, unlike existing approaches that rely on observations of trajectories. This setting leads to a fundamentally ill-posed inverse problem, which we solve by using a regularization strategy based on the empirical distribution of observed configurations, drawn from different, unobserved initial conditions. We test our learning procedure on a variety of representative models with steady-state and quasi-stationary patterns, where collective behaviors encode implicit information about the interaction mechanisms, demonstrating that our approach enables stable and accurate recovery of the underlying interaction laws, leading to faithful reproduction of the collective behavior, and in many cases even of the dynamics leading up to it.
Baoli Hao, Mauro Maggioni, Ming Zhong
Sep 9, 2026stat.ML

Why Learning Rediscovers the Closed-Form Diagonal Regularizer

We identify a diagonal saturation principle in modal inverse problems: when truncation noise is isotropic, the Bayes-optimal Tikhonov shape is a closed-form power law Gamma_k proportional to lambda_k^|s| set by the prior alone, independent of the domain. Berry's random-wave conjecture decorrelates the truncation noise across modes, and Weyl's eigenvalue counting law supplies enough modes for the conclusion to survive empirical Berry violations. Together they predict an approximately flat loss landscape across the per-mode family, leaving narrow scope for a diagonal regularizer to robustly beat the closed form. On FEM-simulated acoustic rooms, the closed form is near-optimal relative to per-room oracle tuning across observation windows, and three diagonal architectures trained on the same data match its reconstruction error within 1 pp despite learning qualitatively different spectra. The framework extends to heat diffusion via a known exponential Green's function correction with no new free parameters. Saturation is restricted to the diagonal family: Learned Iterative Ridge crosses the boundary by exploiting cross-mode coupling, locating where learning starts to help.
Jeahn Han, Pyojin Kim
Sep 8, 2026cs.CR

Audio Deepfake Detection Using Temporal Coherence Analysis

The proliferation of AI-generated audio (so-called "deepfake" audio) poses significant threats to information integrity, from voice cloning fraud to synthetic music copyright disputes. We present a temporal coherence analysis framework built upon Contrastive Language-Audio Pretraining (CLAP) embeddings that spans speech, instrumental music, and music with vocals. By computing pairwise cosine similarities between audio segment embeddings and extracting statistical features from the resulting distributions, we train lightweight ensemble classifiers that reliably distinguish authentic from synthetic audio. Our work provides an interpretable, computationally efficient alternative to common deep learning methods while still achieving competitive performance across speech and music domains. Further, we reveal two notable empirical findings about audio deepfakes: (1) a feature-label inversion phenomenon in which 21 of 29 statistical features reverse their discriminative direction between training and in-the-wild deployment, and (2) a speech--music direction reversal in which entropy discriminates in opposite directions for speech and music deepfakes.
Justin D. Norman, Sarah Barrington
Sep 8, 2026cs.LG

Multi-Level-Set-Based Physics-Driven Neural Network to Solve 3-D Inverse Scattering Problems

This paper proposes a level-set-based physics-driven neural network solver (LSPDNN) for 3-D electromagnetic inverse scattering. To mitigate boundary blurring and reconstruction artifacts in voxel-wise contrast reconstruction, the proposed solver exploits the piecewise homogeneity of practical scatterers by representing unknown targets with multiple coordinate-dependent neural level-set components. Specifically, a soft-union multi-material model is proposed to separately describe the object support and material distribution. The global support is formed by the union of multiple level-set components, while the local contrast is determined by normalized component weights and learnable complex permittivity candidates. In addition, a model-consistent total variation (TV) regularization is imposed on the material-region indicators, rather than directly on the reconstructed contrast, to suppress fragmented material assignments without excessively smoothing material interfaces. An adaptive loss balancing strategy is further introduced to reduce the dependence on manually selected regularization weights. For each measurement instance, the neural level-set parameters and material candidates are optimized by minimizing a physics-consistent objective function. Numerical and experimental results demonstrate that LSPDNN can reconstruct scatterers with clear boundaries, more uniform material regions, and substantially reduced background artifacts. The results highlight the advantage of the neural level-set parameterization in challenging 3-D inverse scattering cases involving irregular shapes, closely spaced objects, multiple materials, and measurement noise.
Yutong Du, Zicheng Liu, Bo Qi +2
Sep 7, 2026cs.AI

EXAONE Forecast for Finance

This technical report presents EXAONE Forecast for Finance (EXAONE Finance), a financial time series (TS) foundation model (TSFM) tailored to financial forecasting. Recent TSFMs achieve strong zero-shot performance through large-scale pretraining. However, they are primarily developed for general-domain TS and largely rely on self-attention backbones whose computational cost grows quadratically with sequence length and variate count. Moreover, they assume fully observed inputs and are pretrained on corpora that fail to capture the unique dynamics of financial markets. These limitations hinder their applicability to finance, where long, many-channel, intermittently observed panels are common. To address these challenges, EXAONE Finance adopts an attention-free architecture, replacing self-attention with two simple yet effective linear-time operators: 1) a causal 1D convolution for temporal mixing and 2) a group-aware pooling multi-layer perceptron (MLP) for variate mixing. Furthermore, a masked context augmentation exposes the model to contiguous missing spans during training, improving robustness to the missingness pervasive in financial markets. EXAONE Finance is pretrained on a large-scale financial corpus covering not only equities but also foreign exchange, commodities, crypto-assets, fixed income, and macroeconomic indicators. On FinVerse, a financial forecasting benchmark covering diverse asset classes, EXAONE Finance attains state-of-the-art performance, ranking first across all three evaluation tiers---point-forecast accuracy, cross-sectional asset ranking, and portfolio profitability.
Seunghan Lee, Jaehoon Lee, Jun Seo +9
Sep 3, 2026math.NA

Learning Informative Prior with Infinite-Dimensional Continuous Normalizing Flow for Bayesian Inverse Problem

This paper addresses infinite-dimensional Bayesian inference for inverse problem of partial differential equations with model parameters in infinite-dimensional Hilbert space. To effectively incorporate prior information, we propose a novel continuous normalizing flows based infinite-dimensional model. Specifically, by introducing a well-defined neural ordinary differential equation in infinite-dimensional space, a simple reference measure can be transformed into a more complex measure which encodes the prior information. A corresponding theoretical framework is established to ensure the well-posedness of our proposed Bayesian prior in infinite-dimensional space. We also provide training methods of the prior for two distinct data settings, along with two sampling algorithms for the resulting Bayesian posterior. The proposed framework is applied to three representative inverse problems: the simple smooth inverse problem, inverse scattering problem, and the inverse heat conduction problem. Numerical experiments support the theoretical analysis and demonstrate the efficiency of the proposed algorithms.
Yang Zhao, Junxiong Jia, Tao Zhou
Sep 1, 2026cs.CV

Diffusion Based Unpaired Data Learning for Inverse Problems

Data is important in many deep learning-based inverse problem solvers. However, obtaining sufficient paired data in many scenarios remains highly challenging, while unpaired data is cheap. To maximize data utilization, this paper proposes LUD-DIF, a diffusion-based approach for solving inverse problems with unpaired data. Starting from the evidence lower bound (ELBO) of the joint distribution, we decouple it into two independent diffusion processes under the weak-coupling assumption. The method provides theoretical support from a variational inference perspective, derives the loss function, quantitatively analyzes the error bound introduced by the assumption, and offers a theorem-motivated heuristic for hyperparameter selection. Experimental results demonstrate that LUD-DIF achieves outstanding performance on multiple image inverse problems, validating its effectiveness and generalization capability in unpaired inverse problem settings.
Chenglong Bao, Yiming Dang, Chenguang Duan +2
Sep 1, 2026cs.AI

SymFold: Synergizing Evolutionary and Structural Priors for Accurate Protein Inverse Folding

Protein inverse folding aims to recover amino acid sequences for a given 3D protein structure, underpinning broad applications such as enzyme engineering and drug discovery.Current methods often follow a serial pipeline, in which a structure encoder predicts a coarse sequence, which is then refined by protein language models (PLMs). However, because PLMs only perform post-hoc sequence edits, the refinement is bounded by the quality of upstream predictions.Thanks to recent multimodal protein language models (MPLMs), we could directly encode structure to generate sequences with pretrained structural knowledge, but we observe that they are not effective for inverse folding. Therefore, we introduce a symmetric dual-path architecture that both leverages PLMs for pretrained sequence evolution knowledge and MPLMs for pretrained structural knowledge to iteratively guide protein sequence generation.Through extensive experiments across standard protein inverse folding benchmarks, our method achieves state-of-the-art performance, surpassing prior approaches, and ablation studies validate the rationale of our symmetric design, revealing a promising direction for the community.
Handong Wang, Jiaxin Qi, Baisheng Lai +1
Sep 1, 2026cs.LG

iPINN for Broadband CARS Phase Retrieval: A Framework for Function Approximation and Inverse Modeling Problems in Nonlinear Spectroscopy

Phase retrieval in broadband coherent anti-Stokes Raman spectroscopy (BCARS) is an ill-posed inverse problem. The Raman-like signal is encoded in the imaginary part of the resonant susceptibility, which mixes coherently with a non-resonant background (NRB) that varies across acquisitions. We introduce an inverse physics-informed neural network (iPINN) that predicts Lorentzian peak parameters from raw BCARS spectra and reconstructs the resonant susceptibility through a differentiable analytical forward model. A transformer encoder assigns spectral features to 24 learnable peak slots, and a multi-view consistency loss enforces invariance across NRB pattern, NRB strength, and noise. Unlike direct spectral regression approaches, the method retains accuracy under varying acquisition conditions. On a public benchmark, iPINN achieves the lowest error among the tested baselines (MAE 0.016 vs. next-best 0.046). On 28 zero-shot test spectra acquired across seven solvents and four focal positions, accuracy is depth-invariant in five of seven solvents. These results show that inverse parametric prediction with a differentiable physical decoder supports robust phase retrieval across measurement conditions.
Ravi Teja Vulchi, Carl Messerschmidt, Mohammadsadegh Vafaeinezhad +4
Sep 1, 2026cs.LG

Conditional Flow Matching for ML-Based Inverse Design Problems

Engineering inverse design is often limited by the high computational cost of iterative solvers for optimization problems constrained by partial differential equations (PDEs) and by their sensitivity to initialization. Deep generative models can produce candidate designs without rerunning the simulator at inference time. Generative adversarial networks (GANs) sample in one forward pass, whereas diffusion models require iterative reverse-time integration. In this work, we add conditional flow matching (CFM) to EngiOpt and compare it with a conditional diffusion model and a conditional generative adversarial network (cGAN) on structural (beams2d) and thermal (heatconduction2d) benchmarks from EngiBench using the same downstream optimization protocol. We use cumulative optimality gap (COG) and final optimality gap (FOG) as the primary metrics for evaluating the generated designs as warm starts for gradient-based refinement. On the evaluated EngiOpt implementations and two EngiBench tasks, CFM achieves the lowest measured COG, FOG, maximum mean discrepancy (MMD), and volume-fraction deviation on both tasks. CFM has mean volume-fraction deviations of 0.4% and 1.0% on beams2d and heatconduction2d, respectively, compared with 3.8% and 11.2% for diffusion. At Euler s = 16, CFM achieves 53.2 samples/s on beams2d, about 66 times the measured throughput of the evaluated diffusion baseline using 1000 network evaluations under the same timing protocol, with COG 1.182 +/- 3.126, compared with 1.173 +/- 3.100 for Euler s = 32. Across the two tasks, CFM produces warm starts with lower measured COG than both baselines and uses fewer network evaluations than diffusion.
Juliana Felder, Milad Habibi, Soheyl Massoudi +1
Sep 1, 2026cs.LG

HarmoCore: Functional Latent Diffusion for Sparse Reconstruction of Oscillatory Wave Fields

Reconstructing oscillatory wave fields from scattered sensors is a severely underdetermined inverse problem. Beyond the challenges of general physical-field reconstruction, wave responses are complex-valued, frequency-sensitive, and highly oscillatory, while costly simulation and sensing often leave only extreme-sparse observations. Existing low-rank, operator, and diffusion approaches are largely designed for real-valued, smoother fields; dense pixel-space diffusion is particularly inefficient for oscillatory complex fields and difficult to scale to 3D. We propose HarmoCore, which places a generative prior in a compact, continuous, and structured wave-field latent. HarmoCore represents joint real--imaginary channels with Functional Tucker cores over shared continuous spatial bases, learns a frequency-conditioned core diffusion prior, and performs Diffusion Posterior Sampling directly in core space. At fixed sensor coordinates, the multilinear decoder induces an explicit likelihood guidance operator, avoiding dense pixel-space correction. Optional target-equation residual guidance further promotes physical consistency. Experiments on 2D Helmholtz, 2D synthetic wave fields, and 3D Helmholtz show substantial gains under 1%--2% sensing while remaining practical in three dimensions.
Lihao Chen, Xinyu Zhang, Panqi Chen +4
Aug 31, 2026cs.RO

Inverse kinematic solution for generic 3R positional robots using Conformal Geometric Algebra

The inverse kinematics of generic 3R robots has been investigated through multiple approaches, mainly algebraic methods involving the solution of certain equation sets. Previous geometric interpretations of the solution, characterized as the intersection of a pair of conics have been confined to the joint-space domain. In this article, we study the Inverse Kinematic Model (IKM) of 3R robots, using the advantages of Conformal Geometric Algebra (CGA) to provide further insights on its kinematic properties. Our approach directly yields a univariate polynomial in terms of theta_2 without the need to eliminate theta_1 and theta_3 by reframing the problem as the intersection of two circles, which are fundamental elements within this algebraic framework.
Abhilash Nayak, Durgesh Haribhau Salunkhe
Aug 30, 2026cs.LG

Diffusion-Based Inverse Design of Dielectric Resonator Metasurfaces for Shaping Smart Electromagnetic Environments

Future wireless systems are expected to transform the surrounding space from a passive propagation medium into a smart electromagnetic environment, where engineered surfaces control wave propagation, support wireless sensing, and create programmable electromagnetic fingerprints. A key challenge in realizing this vision is the inverse design of metasurfaces for tailored electromagnetic propagation. While forward analysis evaluates the response of a known geometry, the inverse task starts from a prescribed scattering signature and seeks a physically realizable structure that produces it. This inverse task is inherently nonlinear and often high-dimensional, while candidate solutions may be non-unique and provide no direct indication of practical realizability. Here, we introduce a conditional diffusion framework for inverse design of dielectric resonator metasurfaces from target angular scattering patterns. Trained on T-matrix simulated geometry-response pairs, the model learns a conditional distribution of geometries instead of a deterministic mapping, enabling multiple candidate designs for the ill-posed inverse problem. The best generated metasurface achieves a mean percentage error of 1.39%, outperforming CMA-ES optimization (4.1% after 10 h) while requiring only about one minute for after-training inference. The model also produces lower error distributions than deterministic neural baselines for out-of-distribution spectra, highlighting the potential of diffusion models for efficient metasurface design.
M. Tsukerman, K. Grotov, D. Vovchuk +1
Aug 30, 2026cs.LG

Sensitivity-Constrained Neural Operators for Data-Efficient Forward and Inverse Modeling of Partial Differential Equation Systems

Neural operators provide fast surrogates for partial differential equation (PDE) solvers, but their reliability can degrade for high-dimensional spatial inputs and inverse or repeated inference. State-only training constrains solution values but not the learned input--output response. We study sensitivity-constrained neural operators (SC-NOs), which augment standard training with sampled solver-derived Jacobian supervision. Selected sensitivities from differentiable solvers or discrete adjoints are matched during training, allowing response information to be amortized across minibatches without imposing the full Jacobian at every update. We evaluate SC-NO on advection--diffusion and RANS--Spalart--Allmaras benchmarks, input-dimensionality scaling tests, long-horizon autoregressive rollout, and a shallow-water Tohoku tsunami source-inversion case. Sensitivity supervision improves forward prediction and yields larger gains in gradient-based inverse reconstruction of distributed fields. Scaling experiments show an improved accuracy--cost tradeoff for high-dimensional gridded inputs, while ablations indicate that state values and Jacobian information provide complementary supervision. In the tsunami case, SC-FNO reconstructs gridded seafloor deformation from sparse early gauge observations and forecasts subsequent wave propagation in a near-real-time proof-of-concept workflow. These results support sampled sensitivity supervision as a practical way to improve neural PDE surrogates when forward accuracy, inverse stability, robustness, and computational cost must be considered together.
Abdolmehdi Behroozi, Chaopeng Shen, Daniel Kifer +1
Aug 15, 2026stat.ML

A Posterior-Dynamics Framework for Imaging Inverse Problems with Pretrained Diffusion Priors

Pretrained diffusion models represent image distributions through a continuum of progressively smoothed distributions. This multiscale structure organizes generation from global structure to fine detail and supports high-quality, diverse samples. We exploit the same multiscale diffusion prior for linear imaging inverse problems. Rather than using the pretrained model only as a denoiser in an outer iteration, we define a surrogate likelihood whose center is aligned with the clean-image coordinate and whose covariance accounts for residual diffusion uncertainty. This construction defines an explicit surrogate posterior path, from which we derive continuous posterior dynamics. A tunable Langevin component supports target tracking and allows the amount of posterior exploration to be adapted to the application. We prove endpoint consistency and a finite-horizon tracking bound and, in the exact-score setting, first-order weak accuracy. For computation, we derive the Posterior-Dynamics Implicit--Explicit sampler (PD-IMEX), a stable method using one score evaluation per diffusion scale and an implicit data-consistency update. Experiments on deblurring, super-resolution, and inpainting show strong reconstruction quality at 100 score evaluations, coarse-grid stability, and controllable fidelity--diversity behavior.
Zhaoqiang Liu, Tongyao Pang, Ruibing Wang +1
Aug 13, 2026stat.AP

Physics-informed distribution of relaxation times estimation and latent-space condition monitoring of solid oxide fuel and electrolysis cells from electrochemical impedance spectroscopy

Estimating the distribution of relaxation times (DRT) fromelectrochemical impedance spectroscopy (EIS) is an ill-posed inverse problem that is highly sensitive to regularisation choices. We propose a physics-informed convolutional autoencoder that estimates DRT directly from EIS data without spectrum-specific tuning. A discretised relation between impedance and the DRT is embedded in the training process, constraining the network to produce impedance-consistent distributions. The model resolves overlapping relaxation processes in synthetic two-ZARC spectra and accurately reconstructs measurements from three independent solid oxide fuel and electrolysis cell datasets, with range-normalised errors below 1.1%. Decoder-probe analysis shows that the learned latent representation is organised according to relaxation timescale. Distances in this latent space capture operating changes, hydrogen-shortage events, and long-term degradation. The same lightweight architecture is applied across all datasets without modification, providing consistent DRT estimation and an interpretable basis for condition monitoring.
Žan Gorenc, Žiga Gradišar, Felix Mütter +2
Aug 12, 2026cs.CV

Making Every Step Count: Spatio-Temporal Information Allocation for Imaging Inverse Problems

Flow-based generative models have emerged as powerful image priors for training-free inverse problem solving, capturing coherent semantics and fine-grained structure. Despite these strengths, existing flow-based inverse solvers primarily focus on the design of individual updates, largely overlooking spatio-temporal information allocation under a fixed number of function evaluations (NFEs). Temporally, insufficient early exploration can trap the flow trajectory in an incorrect semantic basin, whereas excessive allocation of NFEs to early stages leaves little budget for late-stage refinement. Spatially, data consistency provides direct constraints only within observed regions, whereas the recovery of missing regions relies mainly on the generative prior. To address these two issues, we introduce two complementary and training-free components, i.e., Spectrum-Adaptive Scheduling (SAS) and Measurement-Prioritized Attention (MPA). For temporal allocation, SAS distributes the available NFEs over flow time according to the degradation spectrum and logSNR geometry, thus better balancing semantic exploration and detail refinement. For spatial propagation, MPA exploits data-prior conflicts to guide information toward weakly constrained regions, thereby enhancing semantic and structural fidelity. Extensive experiments on standard image inverse problems, e.g., super-resolution, motion deblurring, and inpainting, demonstrate that the proposed components can be integrated into existing flow-based inverse solvers in a plug-and-play manner without retraining or additional flow-model evaluations, and can also significantly improve the restoration quality of existing solvers.
Yi Cao, Xiangyong Cao, Pei Liu +2
Aug 11, 2026cs.AI

Inverse Theory of Mind Modeling for Content Recommendation: From Web Browsing to Dynamic Intelligent Interfaces

Modern recommender systems treat observed actions as reliable proxies for user preferences, yet interactions often reflect exploration or comparison rather than stable preference expression. As interfaces evolve from static layouts toward generative UIs and immersive extended reality (XR), the need for deeper, modality-agnostic user understanding grows: these adaptive environments must decide not only what to present but where, when, how prominently, and most importantly why a user acts. We propose an Inverse Theory of Mind (IToM) pipeline that reasons backward from observed interactions to infer the beliefs, preferences, and decision-making traits that explain behavior. The pipeline reconstructs each user's decision context, including what was chosen and what alternatives were available, applies LLM-driven counterfactual reasoning to produce evidence-grounded natural-language belief statements, and synthesizes these beliefs through multi-hypothesis abductive inference into a structured user persona. We evaluate on the OPeRA dataset against ground-truth personality assessments, attitudinal surveys, and interview-based personas across four tasks: next action prediction, shopping attitude alignment, Big Five personality inference, and held-out category prediction. Results show that inferred personas match or exceed ground-truth personas and that multi-hypothesis reasoning is essential for accurate personality prediction. We further demonstrate cross-modal transferability with a persona-driven spatial banking application on VisionOS.
Mengyu Chen, Feiyu Lu, Chun-Fu Chen +2
Aug 11, 2026cs.LG

Generator-Guided Inverse Sampling for Lévy-Driven Generative Models

This paper studies inverse sampling for Lévy-driven generative models from the perspective of Markov generators. Unlike conventional diffusion models, Lévy-driven dynamics involve infinite jump activities, which makes their reverse process nonlocal and difficult to characterize using score information alone. We address this challenge by analyzing the forward and reversed generators. It is derived that the reversed jump component generally becomes a state-dependent Markov jump process governed by a nonlocal density ratio. This observation motivates a structured reverse sampler that decomposes the dynamics into diffusion, small jump, and large jump components. Based on this characterization, we develop a computationally tractable sampler for a class of isotropic linear Lévy SDEs with symmetric αα-stable jump components. For the jump component, the neural network is used only to amortize the rate of large jump activities, while jump amplitudes are generated from analytically derived conditional distributions, which improves interpretability and controllability. Efficient implementation techniques are further introduced under this setting to avoid expensive high-dimensional integration and sampling. The sampler is further adapted to approximate observation-guided sampling and applied to OFDM-SISO channel estimation under mixed Gaussian and impulsive noise. Simulations show robust estimation performance with a favorable tradeoff between complexity and performance.
Tianfu Qi, Jun Wang, Jun Zhang
Aug 11, 2026cs.LG

Invertible Logits Transformation for Accuracy-Preserving Post-Hoc Uncertainty Calibration

Post-hoc calibration aligns a classifier's predicted confidences with its empirical accuracy without retraining. An ideal calibrator should correct nonlinear miscalibration, scale gracefully to large label spaces, and preserve the original predictions; existing methods typically violate at least one of these properties---temperature scaling lacks expressivity, more flexible parametric alternatives introduce parameters that grow with the number of classes CC, and other expressive methods do not preserve the rank ordering of class scores and may alter the predicted class. We propose \textbf{Invertible Logits Transformation (InvLT)}, which applies a learned scalar MLP f:RRf:\mathbb{R}\to\mathbb{R} element-wise to the pre-softmax logits. Sharing ff across all logit dimensions makes the parameter count independent of CC. Monotonicity of ff---and hence preservation of the argmax prediction---is softly encouraged via a paired inverse network rather than enforced through the numerical integration required by prior monotone calibrators; this avoids their computational overhead while empirically preserving the original classification accuracy in every setting we evaluate. Across standard image classification benchmarks and a range of architectures, InvLT consistently outperforms a broad set of post-hoc baselines on standard calibration metrics.
Lening Zhao, Qipeng Zhan, Li Shen
Aug 10, 2026physics.comp-ph

Coordinate-Residual Physics-Driven Neural Network for Inverse Scattering Imaging

Electromagnetic inverse scattering is a nonlinear and ill-posed computational imaging problem, where accurate reconstruction is challenging due to measurement limitations, noise, and high computational costs, especially for 3-D imaging. Although physics-driven neural networks (PDNNs) reduce the dependence on labeled training data, existing accelerated PDNN frameworks often rely on preliminary reconstruction-based region selection, which may introduce instability when the selected region is inaccurate. In this paper, a coordinate-residual physics-driven neural network (CRPDNN) is proposed for 3-D electromagnetic inverse scattering. CRPDNN represents the unknown complex contrast distribution using normalized spatial coordinates and a residual convolutional network, whose parameters are optimized by enforcing consistency between the measured and model-predicted scattered fields. Unlike existing subregion-accelerated PDNN approaches, CRPDNN does not require a preliminary reconstruction, thereby avoiding dependence on its accuracy. For the reported noise-free 3-D synthetic cases, CRPDNN achieves an average relative error of 2.10%, compared with 7.97% for CSI and 3.99% for L2/3L_{2/3}-FBE-WCIE, while providing approximately 5.5- and 12.1-fold speedups over the two baselines, respectively. Additional 2-D comparisons further demonstrate its stability and computational efficiency relative to existing PDNN frameworks. CRPDNN also maintains reliable reconstruction performance under noisy measurements, and the 3-D Fresnel experiments further indicate its potential for practical imaging applications.
Yutong Du, Zicheng Liu, Bo Qi +2
Aug 10, 2026cs.CL

Reading Cognition as Decisions Unfold in Words: A Factorized Inverse Decision Model

Inverse decision modeling infers latent properties of decision processes from observed behavior, but existing formulations rely primarily on action trajectories. In verbalized cognitive tasks, task execution also produces response dynamics that action-only formulations leave unmodeled, such as verbal production, interaction, and hesitation. We propose a factorized inverse decision model (FIDM) that decomposes each individual's task-execution likelihood into an action factor and an effort factor, governed by separate individual-specific parameters. From raw verbal transcripts, a language model produces structured task-execution traces for factorized inference. On data from 400 older adults performing a grocery-shopping dialog task for cognitive screening, controlled recovery shows selective estimation of the intended factors, while matched semi-synthetic conditions show that FIDM preserves action-execution distinctions even when aggregate behavioral summaries are matched. Action evidence further localizes task-defined deviations across participants. In cognitive-status classification, FIDM provides information complementary to clinical scores, trajectory summaries, and frozen language representations, with consistent gains across all evaluated baselines in the binary setting.
Jiawen Kang, Dongrui Han, Xixin Wu +1
Aug 10, 2026cs.CV

LightAIR: Lightweight Action Inversion and Riemannian Rectification for Text-based Person Anomaly Search

Traditional Text-based Person Search (TPS) is typically limited to matching static appearance attributes, severely neglecting dynamic action information. The Text-based Person Anomaly Search (TPAS) task bridges this gap, requiring models to locate micro-level specific abnormal behaviors while matching macro-level appearance of pedestrians. However, current TPAS methods face fundamental limitations: external explicit pose estimators are fragile in unconstrained surveillance scenarios, and implicit learning encounters visual decoupling failure under pixel-level entanglement, causing dominant appearance information to easily swallow and contaminate subtle action features. Furthermore, performing contrastive optimization on hard negative samples (``same appearance, different actions'') in conventional Euclidean spaces induces severe shortcut learning. To address these, we propose the Lightweight Action Inversion and Riemannian rectification network (LightAIR). First, it introduces textual semantic priors as anchors via a lightweight action inversion operator to extract pure action features, thereby overcoming visual-inherent coupling. Subsequently, it employs orthogonal null-space projection to constrain appearance features within the orthogonal complement space of action features, guaranteeing strict forward decoupling. Finally, we designed a gradient rectification module that computes the Riemannian gradient to constrain the backpropagation trajectory, forcing the gradient flow to update strictly along the tangent space that preserves decoupling properties, thereby cutting off harmful shortcuts. Extensive experiments on the widely used TPAS and TIPR datasets demonstrate that LightAIR significantly outperforms existing state-of-the-art methods. Codes are available at https://github.com/rainy-london/LightAIR
Yulun Zhang, Zixu Li, Zhiwei Chen +6
Aug 9, 2026cs.AI

Depth-Aware Implicit Neural Representation Priors for 3D Gravity Inversion

Gravimetry images subsurface density contrasts associated with geological structures, geothermal systems, and intrusive bodies. Recovering a three-dimensional density model from gravity observations is highly ill-posed because of its non-uniqueness, limited data coverage, and the attenuation of the gravity field with depth. Classical inversion methods rely on explicit regularization and parameter tuning, whereas supervised deep-learning approaches require representative gravity--density pairs that are rarely available. This paper proposes an unsupervised depth-aware implicit neural representation for 3D gravity inversion. The density volume is represented by multiple coordinate-based neural networks assigned to overlapping depth slabs and optimized directly from the observed gravity measurements through the sensitivity matrix. Slab-specific Fourier features, physics-based depth gains, and scheduled regularization provide structural priors without requiring labeled density models. Experiments on four synthetic scenarios show that the proposed method provides better overall performance in terms of RMSE, PSNR, and SSIM than the evaluated conventional and neural baselines. It also recovers more compact and spatially coherent density bodies, improves the separation of nearby anomalies, preserves internal structures, and reconstructs their vertical extent better. These results indicate that the proposed depth-aware formulation helps to mitigate the depth ambiguity inherent in gravity inversion. In the field experiment, where no ground-truth density model was available, the method produced compact, separated, and vertically coherent anomalies consistent with the observed gravity pattern.
León Suarez-Rodriguez, Paul Goyes-Peñafiel, Javier Torres-Quintero +1
Aug 7, 2026cs.LG

From Optimal Actions to World Models: Identifiability of Transition Kernels in Discounted MDPs

We study what can be recovered about the transition probabilities of a Markov decision process from optimal actions alone. This is closely related to the inverse problem considered by Letcher et al., who ask when the dynamics can be recovered from numerical QQ-values. Here the numerical values themselves are not observed; only the optimal actions are known, for every reward in a given class. For state-action rewards r(s,a)r(s,a), knowing the optimal actions for every reward also tells us how much better one action is than another when each is followed by the same fixed policy. This is still not enough to determine the transition probabilities uniquely. We prove that two kernels give the same optimal actions for every reward exactly when Qs,a=(Ps,a+1γesT(LI))L1Q_{s,a} = \Bigl(P_{s,a}+\tfrac1γe_s^{\mathsf T}(L-I)\Bigr)L^{-1} for one invertible matrix LL satisfying L1=1L\mathbf 1=\mathbf 1. Near a kernel with strictly positive entries, there is an n(n1)n(n-1)-dimensional family of different kernels with this property. The result is unchanged if we consider only rewards having a unique optimal action at every state. We then compare this with rewards of the forms r(s)r(s) and r(s,a,s)r(s,a,s'). Rewards that depend on the next state can usually recover the transition kernel itself: every row at a state with at least two actions is determined, and we describe exactly when a row at a state with one action can remain hidden. State rewards reveal less: two kernels give the same optimal actions exactly when every deterministic policy is optimal for the same set of rewards. The results show how the form of the reward affects what can be learned about the dynamics from optimal actions alone.
Neal Batra
Aug 6, 2026math.DS

Verifiable Regularity Criterion for Conditional Expectation Operators and Conditional Mean Embeddings with Applications to Nonparametric Regression, Bayesian Inverse Problems, and Koopman Operators

Conditional expectation operators (CEOs) and their associated conditional mean embeddings (CMEs) play a central role across applied mathematics and machine learning, appearing in nonparametric regression, Bayesian inverse problems, and Koopman operator theory. A fundamental question is when a CEO maps a function space on Y\mathcal{Y} into a prescribed function space on X\mathcal{X}, particularly a reproducing kernel Hilbert space (RKHS). We show that such mapping properties are characterized by the regularity of the Radon--Nikodym density of the conditional law, and establish a simple, verifiable sufficient condition under which the CEO is bounded and Hilbert--Schmidt. For RKHSs norm-equivalent to Sobolev spaces, this condition reduces to Sobolev regularity of the conditional density. The result yields a direct route to validate CME representations and error bounds for Galerkin-type and CME-based estimators. We verify the regularity condition in three settings: nonparametric regression, Bayesian inverse problems, and Koopman operator theory for stochastic dynamical systems. We show in each case that classical regularity results on the underlying probabilistic model imply the required mapping properties. The resulting framework offers a unified perspective on conditional expectation operators across probability, operator theory, kernel methods, and stochastic dynamics.
Maximiliano Hertel, Ilja Klebanov, Manuel Schaller +1
Aug 6, 2026math.NA

A neural operator view on U-Nets for inverse imaging problems

Deep neural networks have shown great empirical success in the solution of a wide variety of ill-posed inverse problems in imaging. Yet, very few works have studied their behavior in the limit that turns the discretized ill-conditioned problems into truly ill-posed ones, i.e., for an increasing resolution of the discretization. In this work, we review common approaches to neural operator learning in architectures that resemble a U-Net, one of the most common classical architectures for inverse imaging problems. We discuss advantages and drawbacks of the respective approaches, consider a 1D toy example for improved interpretability, and present extensive numerical experiments on how different types of neural operator U-Nets can improve a first (crude) limited angle CT-reconstruction. In particular, we study how well networks trained for a certain resolution of the discretization generalize to other resolutions. Our finding is that while U-shaped neural operator architectures are by design resolution-invariant, the classical U-Net architecture seems to be more robust with respect to resolution changes than expected.
Alexander Auras, Martin Burger, Samira Kabri +2
Aug 5, 2026cs.CL

Recovering Lesion Parameters from Aphasic Picture Naming Error Profiles in Large Language Models

Interpretability methods for large language models (LLMs) describe internal state but do not directly test whether that state is causally sufficient to produce the observed behavior. In earlier work, we lesioned LLMs to produce error profiles in picture naming, a central task for assessing aphasia, and found that specific lesions produced errors resembling those of individual stroke survivors. Here we ask the inverse question: given an error profile, can the lesion parameters that produced it be recovered, and what does this inverse problem reveal about transformer computation? Lesions in LLaVA-Vicuna 13B were parameterized by layer index, modification percentage, and noise sigma across 4,840 configurations, and error profiles were characterized by a seven-category clinical taxonomy (correct, semantic, unrelated, formal, mixed, neologism, no-response). We trained a multi-task neural network to map error profiles back to perturbation parameters. The problem admitted a partial solution: across 10 independently trained inverse models, modification percentage and noise sigma were recoverable, whereas layer index was recoverable only within a neighborhood. In counterfactual validation, a fresh model instance perturbed with the recovered parameters reproduced the target behavior in 81.4% of cases. This dissociation between low layer recovery and high counterfactual fidelity is consistent with functional redundancy across transformer layers, a property not captured by standard interpretability methods. As an out-of-distribution test, we applied the trained model to picture-naming error profiles from 278 stroke survivors; recovered parameters were syndrome-discriminative, most strongly for perturbation intensity, indicating generalization beyond the training distribution. Counterfactual validation provides a general framework for LLM interpretability claims beyond inverse mapping.
Yong Yang, Roger Newman-Norlund, Xiang Guan +10
Aug 5, 2026cs.LG

Discretization and Statistical Consistency of Functional Flow Matching

Functional flow matching is posed on distributions of functions but implemented from finitely many coefficients or point values. Under scattered or adaptive refinement, the resulting conditioning sigma-algebras need not be nested, so martingale convergence does not justify the sensor limit. We prove strong L2L^2 convergence of finite conditional velocity targets for every strongly consistent sequence of finite-rank reconstructions, with quantitative bounds for orthogonal projections and a point-sensor extension through a regularity space. For learned flows, coupling directly to a population superposition path yields an end-to-end Wasserstein bound without assuming uniqueness of the population finite-dimensional ODE. We verify sensor-independent constants for a normalized quadrature neural operator, including globally Lipschitz activations through an explicit magnitude recurrence. A noncommuting trace-class Gaussian example gives boundary multiplier 00 under projected restriction and 0.720.72 under exact conditioning. A spatial regularity--cubature certificate closes the operator-realization term, a Bernstein argument gives a O~(n1)\widetilde{O}(n^{-1}) excess-risk term for fixed model dimension and envelopes, and an exactly realizable clipped Gaussian scaling specialization yields an explicit end-to-end rate.
Lennon J. Shikhman
Aug 4, 2026cs.LG

FinVerse: Financial Time-Series Benchmark

As time-series foundation models have emerged, the need for benchmarks that can evaluate their forecasting ability in meaningful ways has become increasingly important. Existing time-series forecasting benchmarks provide useful standardized comparisons, but they often evaluate heterogeneous series with uniform error-based metrics. Strong performance under such metrics does not necessarily imply that a model's forecasts will support the best real-world decisions across domains. For example, in stock forecasting, correctly predicting whether a price will rise or fall can be more directly relevant to realized returns than minimizing point-wise forecast error alone. To this end, we introduce FinVerse, a finance-domain time-series forecasting benchmark that takes a first step toward more realistic evaluation. The released FinVerse data artifact contains 116,897 financial time series with 171.1M observations, of which 60,232 series with 17.4M observations are selected as evaluated targets based on their economic relevance to financial decisions. Unlike generic forecasting benchmarks that primarily emphasize uniform point-forecast or probabilistic accuracy, FinVerse defines 11 metric families comprising 78 evaluation metrics and assigns the most appropriate evaluation metrics to each individual time series based on its underlying economic meaning. Our analysis of 43 public time-series forecasting foundation models shows that strong performance under generic forecasting criteria does not necessarily translate into useful financial forecasts. This finding highlights the need for domain-aware benchmarks that evaluate models under objectives closer to real-world decision making.
Jaehoon Lee, Jun Seo, Seunghan Lee +9
Aug 3, 2026eess.IV

ScoreField: Neural Inverse Scattering with Score-Based Generative Priors

Designing an effective electromagnetic inverse-scattering solver requires faithful enforcement of nonlinear full-wave physics together with an expressive prior on the unknown permittivity contrast. We propose ScoreField, a neural inverse scattering framework that integrates coupled implicit neural representations (INRs) with a pretrained score-based generative prior. ScoreField employs two INRs to parameterize the permittivity contrast and the induced current fields, and jointly optimize them under the Lippmann-Schwinger equations. In addition to the implicit regularization by the INR architecture, the score model provides a learned prior gradient on the contrast, which is propagated to the contrast INR through the chain rule. This formulation enables ScoreField to effectively handle strong multiple scattering, where nonlinear wave interactions require accurate modeling of the coupled full-wave physics. We evaluate ScoreField on simulated weak- and strong-scattering benchmarks, the canonical Austria phantom, and experimental Fresnel measurements. We note that ScoreField significantly improves reconstruction fidelity and suppresses artifacts relative to classical full-wave methods and deep learning baselines, achieving an average PSNR improvement of 1.8dB1.8 \, \mathrm{dB} over the best competing method on real Fresnel data.
Wenhan Guo, Yuan Gao, Yu Sun
Aug 1, 2026cs.CV

Hybrid-Domain Posterior Sampling for Inverse Problems via Latent Flow Matching

Latent Flow Models have revolutionized compressed-space image synthesis, yet their application to high-fidelity inverse problems remains bottlenecked. In this paper, we trace this dilemma to a fundamental geometric limitation of pre-trained autoencoders, which we term \emph{First-Order Manifold Blindness}. Severe decoder compression (e.g., retaining only  ⁣2%\sim\!2\% of the original degrees of freedom) produces a rank-deficient Jacobian, rendering high-frequency measurement residuals in its orthogonal complement invisible to latent gradients even when the decoder can represent the target image. To overcome this bottleneck, we propose Hybrid-Domain Posterior Sampling (HDPS), a decoupled inference framework that disentangles physical measurement consistency from semantic prior modeling. HDPS diverges into the pixel space, leveraging Langevin dynamics to absorb precise orthogonal measurement gradients, and subsequently projects these structural corrections back onto the generative manifold. An optimization-based latent alignment is introduced to filter pixel-space artifacts while avoiding the semantic drift of direct encoding. Extensive experiments on diverse inverse problems demonstrate that HDPS establishes a new state-of-the-art, successfully recovering the high-frequency structural precision that latent-only solvers inherently discard. The code is available at \href{https://github.com/74587887/HDPS}{https://github.com/74587887/HDPS}.
Hongjie Wu, Yiping Xie, Jiancheng Lv
Jul 29, 2026cs.CV

Dual Inversion for Text-to-Image Diffusion Models: From Both Prompt and Noise Perspectives

Prompt inversion, as a typical reverse engineering technique, enables text-to-image (T2I) diffusion models to generate the desired target images without extensive prompt engineering. However, existing prompt inversion methods suffer from significant limitations: (1) gradient-based methods are unstable and uninterpretable, often resulting in generated images with severe artifacts; (2) gradient-free methods yield human-readable prompts but still fail to preserve visual fidelity due to the lack of fine-grained detail alignment. We contend that the limitations stem from treating prompt inversion as a sufficient condition for reverse engineering, ignoring the critical role of the latent noise that encodes structural information. Consequently, we propose Dualin (Dual inversion), a two-stage method that jointly recovers both the semantic prompt and latent noise of the target image. In the first stage, we integrate vision-language model, CLIP and large language model to invert a faithful, human-interpretable hard prompt. In the second stage, unconditional DDIM inversion reconstructs the exact latent noise of the target image, guaranteeing the consistency at the structural information level. Theoretically, we prove that the inverted noise enables flexible image editing without re-optimization. Extensive experiments on diverse datasets demonstrate that Dualin simultaneously generates high-quality inverted prompts and achieves state-of-the-art image fidelity. Additionally, Dualin can establish a robust foundation for the precise and controllable image editing.
Xiaolong Liu, Junjian Li, Yuan Xiao +4
Jul 29, 2026cs.CR

FARI: Robust One-Step Inversion for Watermarking in Diffusion Models

Inversion-based watermarking is a promising approach to authenticate diffusion-generated images, yet practical use is bottlenecked by inversion that is both slow and error-prone. While the primary challenge in the watermarking setting is robustness against external distortions, existing approaches over-optimize internal truncation error, and because that error scales with the sampler step size, they are inherently confined to high-NFE (number of function evaluations) regimes that cannot meet the dual demands of speed and robustness. In this work, we have two key observations: (i) the inversion trajectory has markedly lower curvature than the forward generation path does, making it highly compressible and amenable to low-NFE approximation; and (ii) in inversion for watermark verification, the trade-off between speed and truncation error is less critical, since external distortions dominate the error. A faster inverter provides a dual benefit: it is not only more efficient, but it also enables end-to-end adversarial training to directly target robustness, a task that is computationally prohibitive for the original, lengthy inversion trajectories. Building on this, we propose \textbf{FARI} (\textbf{F}ast \textbf{A}symmetric \textbf{R}obust \textbf{I}nversion), a one-step inversion framework paired with lightweight adversarial LoRA fine-tuning of the denoiser for watermark extraction. While consolidation slightly increases internal error, FARI delivers large gains in both speed and robustness: with approximately 20 minutes of fine-tuning on a single NVIDIA RTX A6000 GPU, it surpasses 50-step DDIM inversion on watermark-verification robustness while dramatically reducing inference time. Code and pretrained models are available at https://github.com/0xD009/FARI.
Jindong Yang, Han Fang, Weiming Zhang +2
Jul 28, 2026cs.AR

MDTransformer: A Hardware-Software Co-Design of Mode-Division Photonic Transformer Accelerator with Inverse-Designed Coherent Crossbar

Recently, photonic transformer accelerators (PTAs) have successfully achieved significant speedup and energy efficiency improvements over electronic accelerators for expediting Transformer inference. However, state-of-the-art rely on expensive multi-wavelength light generation and large dot-product units due to active phase-shifter components, thus making their approach inefficient and impractical. To address this, we propose MDTransformer, a novel hardware-software co-design of PTA based on mode-division optical dataflow and operations. Specifically, MDTransformer performs complex matrix operations using spatial-mode interference, that leverages the inverse-designed multi-mode couplers, crossings, and Mach-Zehnder IQ modulators into a compact mode-division photonic tensor core (MPTC), capable of executing matrix multiplications in the optical domain. Its each guided mode (i.e., TE0-TE3) acts as an independent computational lane, enabling four-fold parallelism-per-waveguide without spectral filtering or free-spectral-range limitations. Moreover, its coherent detection and IQ modulation jointly encode amplitude and phase, realizing complex-valued arithmetic for full-range operations in transformers. MDTransformer offers analog multiplication with sub-4-bit effective precision and inter-modal crosstalk below -30 dB. Its inverse-designed approach also offers scalable and full compatibility with single-laser continuous-wave operation at 1550 nm. Experimental results show that MDTransformer achieves 40.4% area reduction, 63.6% power saving, 40.6% energy saving, and comparable latency over the state-of-the-art PTA across different workloads (i.e., DeiT-Tiny/Small/Base and BERT-Base/Large). These results show that MDTransformer offers a practical solution for high-performance and energy-efficient transformer-based systems.
Solomon Micheal Serunjogi, Rachmad Vidya Wicaksana Putra, Ayat Taha +2
Jul 28, 2026cs.CV

Few-Shot Open-Vocabulary Remote Sensing Segmentation via Textual Inversion

Open-vocabulary segmentation labels arbitrary categories from a text query without per-class training, yet on remote sensing imagery it underperforms on categories it handles reliably elsewhere. We find that much of this gap traces to the text query rather than to the segmentation model. Because these models are not specialized for overhead imagery, the class name that serves as the query is often a weak address into the vision-language embedding space. We show that a better name repairs part of the gap, while the remaining failures call for an address that the tested natural-language rephrasings do not provide. We recover that address from a few examples through textual inversion on a frozen model, keeping inference text only. On a representative benchmark this raises the mean intersection over union on the affected categories from 3.9 to 39.4, and across eight remote sensing datasets it improves over few-shot methods that instead inject visual prompts at inference.
Junhyuk Heo, Junghwan Park
Jul 27, 2026cs.LG

Inverse RL Helps Align AI by Imitating Humans

Language model alignment aims to make model behavior reliably reflect desirable properties such as helpfulness, safety, and instruction following. Current approaches typically use supervised fine-tuning on demonstrations or reinforcement learning with rewards derived from verifiers or human feedback. These paradigms leave an important question underexplored: can demonstrations alone yield an implicit reward that can be inspected, reused, and optimized on-policy to align AI? Motivated by inverse reinforcement learning, we introduce Projected Alignment Reward Estimated from Demonstrations (PARED). PARED recovers the implicit reward underlying expert demonstrations as an explicit function over a small set of response-level features, learned by a lightweight discriminator that separates demonstrations from the policy's own samples in this feature space. Unlike a standard reward model, PARED requires no task-specific preference annotations: demonstrations provide the task-specific supervision, which can be augmented with AI feedback as additional dimensions of supervision. Through experiments involving inference-time reranking and adversarial on-policy RL, we show that the recovered reward improves a base policy without a supervised loss and yields further gains when optimized after standard supervised fine-tuning. Additionally, we demonstrate that PARED can be used for contextual alignment, in which a single policy can be tailored to the preferences of different audiences.
Michał Wiliński, Liu Leqi, Chirag Nagpal
Jul 27, 2026cs.LG

BettiSplit: Topology-Guided Privacy-Aware Split Learning Against Feature Inversion and Gradient Leakage

Split learning enables collaborative model training by partitioning neural networks across clients and servers. However, improper split placement can lead to severe privacy leakage through intermediate representations. In this work, we propose a topology-guided framework for privacy-aware split learning based on the persistent Betti complexity of smashed activations. Through comprehensive layer-wise analysis, we show that privacy risk in split learning is highly non-uniform across layers and exhibits sharp transition regions that are not captured by architectural depth alone. In particular, feature inversion fidelity increases from negligible reconstruction to as high as 0.98 SSIM at deeper, privacy-critical split points. We further demonstrate that Betti complexity consistently identifies representation regimes associated with elevated feature-space privacy leakage across architectures and datasets. Leveraging this observation, we introduce BettiSafe, a topology-guided split selection strategy that identifies privacy-sensitive layers without requiring explicit attack execution. BettiSafe improves resistance to feature inversion by 2 to 5 times compared to depth-based heuristics while preserving classification accuracy. In addition, Betti-based regularisation increases inversion difficulty by nearly 5 x without degrading model utility, enabling a favourable privacy utility tradeoff. Overall, our results highlight topological complexity as a promising structural descriptor for secure, adaptive, and representation-aware split learning in real-world collaborative systems
Akarsh K. Nair, Muhammad Arifur Rahman, David Brown +1
Jul 25, 2026cs.LG

Label-free Industrial Fault Detection via Adversarial Inverse Reinforcement Learning: A System for Run-to-Failure Prognostics

Machinery fault detection (MFD) remains heavily reliant on supervised learning, which struggles with the scarcity of fault labels in real-world settings. While reinforcement learning (RL) offers a framework to model the sequential nature of degradation, current ``RL-based'' MFD methods reduce the problem to a static contextual bandit (CB) formulation: by ignoring state transitions and discarding the temporal discount factor, they collapse to standard supervised classification. We propose an adversarial inverse reinforcement learning (AIRL) framework that treats MFD as an offline IRL problem. Unlike reconstruction-based approaches that rely on static error margins, or CBs that ignore dynamics, our method recovers an intrinsic "health" reward directly from observational state transitions, requiring neither manual reward engineering nor fault labels. On three run-to-failure benchmarks (HUMS2023, IMS, XJTU-SY), AIRL is the only method achieving non-saturated post-detection consistency across all datasets, while CB baselines fail to detect gradual degradation and reconstruction models collapse into always-anomalous states. Code and data: https://github.com/dhirajneupane/AIRL-MFD-DN.
Dhiraj Neupane, Mohamed Reda Bouadjenek, Richard Dazeley +1
Jul 23, 2026stat.ML

Prior laundering: learned priors with inherited, undetectable overconfidence

Learned generative priors now supply the regularization in ill-posed imaging inverse problems, and the uncertainty read from their posterior samples is taken as evidence earned from data. When examples of the true image are scarce, as in seismic and medical imaging, the widely adopted recourse is to train such a prior not on truths but on an archive of past reconstructions---prior laundering. We show that the uncertainty it then reports can be overconfident, and that no measurement-side check can reveal it. On the directions a forward operator leaves unresolved, this prior reports not what the data support but the assumption built into the older reconstruction method. More specifically, when the archive holds posterior samples, its population law---averaged over the measurements---is exactly the old regularizer advanced a single expectation--maximization step, frozen on the operator's blind subspace. The freeze leaves no signature in the data. Two truths differing only there induce identical data laws, so no goodness-of-fit test separates them, and self-consistency diagnostics, simulation-based calibration among them, pass whatever the prior believes. In the more realistic case, where the archive keeps a single-best reconstruction rather than posterior samples, the blind credible interval collapses to zero width. We prove these statements and demonstrate the inherited overconfidence on deployed seismic and groundwater imaging against a truth-trained control. We recommend reporting which directions the operator resolves---separating the confidence the data support from belief inherited through the pipeline.
Ali Siahkoohi, Sina Alemohammad
Jul 23, 2026cs.LG

An Introduction to Bayesian and Frequentist Simulation-Based Inference with Machine Learning

Simulation-based inference (SBI) with machine learning is an increasingly important tool for solving inverse problems in science and engineering, including parameter inference and the inversion of detector effects. We provide an overview of the Bayesian and frequentist statistical frameworks, describe how machine-learning-based SBI methods, such as neural posterior estimation and neural likelihood estimation, can be used for parameter estimation within these frameworks, and show that the same methods can also be applied to Empirical Bayes or unfolding tasks. We also discuss how to validate inference results and the limitations of SBI with machine learning.
Maximilian Dax, Theo Heimel, Gilles Louppe
Jul 21, 2026cs.LG

Provable diffusion-based posterior sampling for linear inverse problems via DDIM

Diffusion-based methods have achieved remarkable empirical success in solving inverse problems. However, many existing posterior samplers either lack rigorous theoretical guarantees or incur substantial computational overhead. We propose a simple and efficient algorithm, called \pddim, for solving linear inverse problems with diffusion priors via a DDIM-type sampler. Our method requires only lightweight, coordinate-wise modifications to the standard DDIM update, while explicitly incorporating the measurement model. The key idea is to perform posterior sampling separately along each singular direction of the measurement operator: for each direction, the sampler follows the learned diffusion prior when the observation signal-to-noise ratio (SNR) is below the corresponding diffusion SNR, and switches to a calibrated measurement-based predictor otherwise. We prove that the proposed sampler converges to the Bayesian posterior conditioned on the measurements. Empirical results show that the proposed sampler performs favorably against existing diffusion-based posterior samplers across a range of image restoration tasks, achieving the best performance on the majority of evaluation metrics considered. Overall, our results convert posterior sampling for noisy linear inverse problems to simple coordinate-wise DDIM updates, yielding an efficient, easy-to-implement algorithm with provable posterior consistency.
Yuchen Jiao, Na Li, Changxiao Cai +2
Jul 21, 2026cs.CV

Image Editing Models are Numerical Solvers

We investigate whether a pretrained generative image-editing model can provide a common interface for numerical simulation. Physical inputs and solutions are rendered as images, while scalar quantities such as material properties, diffusivity, and loading parameters enter through lightweight adapters. Using established numerical and analytic solvers for supervision, we apply the same architecture and training protocol to heterogeneous elliptic equations, forced heat and Burgers evolution, complex Ginzburg-Landau dynamics, two-dimensional Navier-Stokes prediction, potential flow, elasticity, eikonal travel time, phase-field fracture, and entropic optimal transport. The results show that a pretrained image model can represent diverse static and time-dependent physical mappings, including unstable and shock-like behavior, when each task is expressed through a suitable visual encoding. This work is a capability study rather than an attempt to surpass specialized solvers. It also identifies fundamental constraints: image and latent representations complicate numerical range selection and direct enforcement of governing equations or invariants, while a failed Kuramoto-Sivashinsky experiment indicates that representation errors prevent meaningful long-horizon simulation of chaotic systems.
Ulysse Mizrahi
Jul 19, 2026cs.GR

Feature-Guided Diffusion for Non-Differentiable Inverse Rendering

Inverse rendering is traditionally solved via differentiable renderers and gradient descent, which requires substantial problem-specific engineering and is prone to getting stuck in local minima due to ambiguities. Derivative-free approaches alleviate engineering requirements, but often heavily depend on a good problem initialization. In this work, we propose Feature-Informed Diffusion Evolution (FIDE), a fully black-box framework that requires no gradients or specific initialization: the renderer is treated as an opaque function whose only requirement is to produce images. Our key insight is feature guiding: rather than reducing each candidate rendering to a scalar loss value, we use a Vision Transformer (ViT) to extract dense visual features from it. We subsequently use these features to train a diffusion-based candidate proposal model, allowing the network to use visual cues to predict parameters that would match the target image. The candidate solutions proposed by this diffusion model are then refined in a closed loop with a CMA evolution strategy, continuously narrowing the proposal region as optimization progresses. We validate across diverse inverse problems from path tracing, vector splines, Voronoi shaders, and robotics, and demonstrate that feature-guiding substantially improves convergence over scalar-loss baselines and reliably escapes local minima where gradient-based methods stall.
Andrei-Timotei Ardelean, Michael Fischer, Tim Weyrich +1
Jul 18, 2026cs.AI

Lomekwi: Resource-Bounded Tool Discovery in LLM Agents

Existing tool-use benchmarks report a single success rate for complex, multistep tasks. Inspired by ideas from cognitive science, we distinguish tool use from tool discovery and decompose the latter into curiosity (the model's ability to discover the parts needed to build the tool), recognition (the model's ability to discover the process of creating the tool), and efficiency (the model's use of the tool after creation). We show that this framework can be applied to existing discovery tasks, such as Voyager. In addition, we provide evidence that recognition inversely scales with model size, and we introduce and analyze a class of combinatorial games that demonstrates this. We further observe inverse scaling in a separate environment designed to emulate real-world tasks.
Roshan Klein-Seetharaman, Daniel Wang, Andrew Xu
Jul 16, 2026eess.IV

ESAR: Event-Based Synthetic Aperture Reconstruction

Event cameras report asynchronous polarity events when changes in log--radiance exceed a fixed contrast threshold, producing signed temporal contrast measurements rather than conventional image frames. We formulate monocular event-based imaging as a synthetic-aperture inverse problem for a static ground-domain log--radiance field θRNgθ\in \mathbb{R}^{N_g}. Instead of reconstructing a latent pixel-time volume vRNpNtv \in \mathbb{R}^{N_pN_t}, we impose the geometric relation v=Pθv=Pθ, where PP maps the fixed scene into motion-dependent latent views. Aggregating events over finite time intervals gives the linearized model APθ=b+η,APθ= b+η, where AA is a temporal differencing operator, bb contains signed binned event counts, and ηη represents measurement and modeling errors. This decomposition exposes a synthetic-aperture structure: under near-nadir motion, successive projections are approximately shifted views of a common scene, while the composite operator APAP remains ill-conditioned because it combines spatial averaging with temporal differencing. We therefore use regularized inversion to recover θθ. Numerical experiments on simulated data and real near-nadir Falcon Neuro event data show that the proposed θθ-based formulation recovers coherent large-scale spatial structure, relative to dynamic latent-image and learned event-reconstruction baselines, while suppressing fine-scale texture.
Harbir Antil, Daniel Blauvelt, David Sayre
Jul 16, 2026cs.LG

Probabilistic Physics-Informed Neural Networks for Estimating Heterogeneous Elastic Properties from Low-Resolution and Noisy Displacement Data

Estimating spatially heterogeneous elastic properties from low-resolution displacement measurements is a severely ill-posed inverse elasticity problem because low resolution obscures spatial details needed to distinguish heterogeneous property variations, and small measurement perturbations or fitting errors are amplified through inverse estimation. Existing inverse methods often rely on high-fidelity observations and manually prespecified loss weights, limiting their adaptability and making them sensitive to noise and resolution degradation. We propose a Probabilistic Inverse Elasticity Physics-Informed Neural Network (PIE-PINN) framework for robust estimation of Young's modulus and Poisson's ratio from noisy, low-resolution displacement data. PIE-PINN models displacement observation, strain-discrepancy, and equilibrium residuals using Laplace distributions within a unified probabilistic model. To improve robustness, the framework combines a B-spline-guided displacement network with a hierarchical half-Cauchy model for displacement residual scales. The B-spline provides a smooth global representation of the displacement field, while the neural network correction captures local variations. The hierarchical scale model adaptively downweights severe displacement fitting errors, enabling more robust recovery of the latent mean displacement field. An alternating maximum-likelihood training strategy updates the mean through weighted residual minimization and updates the scales to adjust the loss weights. Systematic case studies across varying noise levels and observation resolutions demonstrate the robustness of PIE-PINN.
Tatthapong Srikitrungruang, Jaesung Lee
Jul 15, 2026stat.ML

Operator-Informed Gaussian Processes for Complex Helmholtz Wavefields: From Synthetic Benchmarks to In Vivo Brain Elastography

The Helmholtz equation governs time-harmonic wave propagation, and in dissipative media a complex modulus renders its squared wavenumber κ2κ^2 complex. Inferring such fields from sparse, noisy data calls for solvers that also quantify their own uncertainty. Physics-informed Gaussian-process (GP) regression supplies this by returning a posterior over the solution, yet operator-conditioned formulations have been developed almost exclusively for real-valued fields. We extend operator-informed GP regression to complex-valued Helmholtz problems by realifying the complex operator into an equivalent coupled real block, which enables inference with standard real-valued GP conditioning. The construction admits a family of priors, from a proper diagonal prior to coregionalized and multiscale variants, and conditions on PDE residuals and boundary traces. On benchmark problems in one to three dimensions, the solver is competitive with finite-difference and neural-network baselines at a far smaller interior-constraint budget. Unlike those deterministic baselines, it returns a posterior over the complex wavefield rather than a point estimate. Applied to \textit{in vivo} brain magnetic resonance elastography, a proper multiscale prior reconstructs the shear curl field to a correlation of 0.770.77 with measurement, above a 0.750.75 target. The gain arises from the multiscale kernel rather than from real--imaginary coupling. We further identify a low-frequency accuracy ceiling set by model mismatch and a posterior uncertainty that is not yet calibrated. Calibrated uncertainty therefore emerges as the central next step for probabilistic wavefield inference in dissipative media.
Boyuan Deng, Kshitiz Upadhyay, Michael Shields
Jul 15, 2026cs.LG

Gauge-Invariant, Parameter-Insensitive Regularization for Potential Recovery from Flow on Directed Graphs

Recovering a latent potential from observed flow on a directed graph (a discrete Poisson problem with Dirichlet boundaries) is ill-posed, and the standard fix backfires: ridge regularization shrinks toward a gauge-meaningless origin, collapsing and reversing the recovered ordering (+0.810.42+0.81\to-0.42 rank correlation against a planted ground truth). The gauge-invariant graph Dirichlet energy removes the hazard and delivers parameter-insensitivity: the estimate is stable across four orders of magnitude in λλ, whereas ridge inverts the ordering for every λ>0λ>0. We prove the reduced solve is SPD and preserves dynamic range exactly where ridge collapses it, and localize absorbing boundaries from flow alone via a Poisson residual. The H1H^1 seminorm is classical; what is new is the gauge diagnosis, the parameter-insensitivity it buys, and an ablation showing the result is robust to the extraction method. On three public clickstream corpora the gauge-invariant estimate retains 2828--41%41\% of the interior dynamic range while ridge collapses to as little as 0.2%0.2\%. The same gauge invariance carries into graph neural networks -- neutralizing the constant mode per layer prevents the oversmoothing that collapses a deep directed GCN -- linking this classical inverse problem to a central question in graph learning.
Mohammad Forouhesh
Jul 15, 2026math.NA

Approximation of solutions of parameter-dependent problems by residual neural networks

We develop a convergent scheme to train neural networks involving analytic activation functions based on gradient flows. Convergence properties are guaranteed by Lojasiewicz theory. The main advantage of this approach is its simplicity of implementation. The coefficients of the network are approximated by solving a system of ordinary differential equations. We test the method by constructing residual neural network approximations of solutions of parametric problems. The dependence of the solutions of simple ordinary differential equations on a few parameters is correctly reproduced. The solutions of inverse problems involving wave constraints which depend on a few parameters can be reasonably approximated, even in regions in which the problem is severely ill posed.
Ana Carpio
Jul 14, 2026cs.LG

From Preimage Search To Source-Grounded Feature Inversion

Interpreting a neural network requires understanding what its internal features extract from a particular input. Feature inversion seeks to express a selected feature in the input domain, but canonical iterative methods search for an input whose re-encoded representation matches the target. Because many inputs can satisfy this constraint, target matching alone does not specify the inverse associated with the sample that generated the feature. We formulate source-grounded feature inversion by conditioning the inverse on the source-local network geometry at the target-generating input. At each boundary of the computational DAG, backpropagation provides the correct reverse dependencies but transports an adjoint signal rather than an upstream-state estimate. We locally repair this signal with a closed-form matrix Wiener map from a mean-seed VJP to the upstream state, followed by a second Wiener map for the JVP forward-consistency residual, and compose the repaired states through the same DAG in one finite reverse pass. One calibrated zero-intercept map family supports new inputs, depths, channels, and channel groups across diverse CNN and Transformer architectures, tensor components, and visual distributions without query-specific optimisation. Matched target and source controls verify that each inverse depends on the selected feature and the local operators of the sample being explained, rather than a target-independent image template. Prediction-conditioned feature atlases align these visualisations with independent interventions on the corresponding internal features. Together, source-grounded feature inversion opens the model's hidden feature hierarchy to inspection at the level of individual layers and channels, linking what the network extracts from an input to the internal evidence that shapes its decision.
Kaixiang Shu
Jul 13, 2026cs.LG

Neural Discovery of Memory and Nonlocal Kernels in Integro-Differential Equations with Constrained Kolmogorov--Arnold Networks

Discovering the memory or nonlocal kernel governing an integro-differential equation (IDE) from sparse and noisy observations is an ill-posed inverse problem. Existing identification methods often rely on problem-specific analytical derivations, specialized observation requirements, or restrictive assumptions about the kernel, limiting their applicability across different classes of IDEs. In this work, we propose a differentiable-solver-based framework for discovering memory and nonlocal kernels directly from spatiotemporal observations. Within the solver, the unknown kernel is represented using a constrained Kolmogorov--Arnold Network (KAN) parameterization, with the physical constraints imposed through two different approaches: a Bernstein-polynomial-based Monotone--Convex KAN (MC-KAN), whose coefficient constraints enforce positivity, monotonic decrease, and convexity by construction, and a Chebyshev-based KAN (Cheb-KAN), in which the same properties are encouraged through soft penalty terms. After training, symbolic regression is applied to the learned kernels to obtain interpretable closed-form representations. We evaluate both methods on benchmarks spanning a one-dimensional Volterra equation, a one-dimensional viscoelastic wave partial integro-differential equation, and a two-dimensional nonlocal reaction-diffusion equation with an anisotropic coupled kernel. For the 1D problems, both methods recover the correct kernel functional form and achieve comparable solution-reconstruction accuracy. In contrast, for the sparse and noisy 2D nonlocal problem, the hard-constrained MC-KAN consistently achieves lower kernel reconstruction errors than the soft-constrained Cheb-KAN. Our results demonstrate that enforcing physically motivated shape constraints by construction provides greater robustness than soft penalties for multidimensional kernel discovery from sparse and noisy observations.
Aruzhan Tleubek, Salah A Faroughi