arXiv subjects

Jiachen Yao

Publications and source records attributed to Jiachen Yao.

15 recordsLinked to original sources

arXiv2026

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.

cs.LG↗

arXiv2026

EquiReg: Equivariance Regularized Diffusion for Inverse Problems

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

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arXiv2026

Decoupled Diffusion Sampling for Inverse Problems on Function Spaces

We propose a data-efficient, physics-aware generative framework in function space for inverse PDE problems. Existing plug-and-play diffusion posterior samplers represent physics implicitly through joint coefficient-solution modeling, requiring substantial paired supervision. In contrast, our Decoupled Diffusion Inverse Solver (DDIS) employs a decoupled design: an unconditional diffusion learns the coefficient prior, while a neural operator explicitly models the forward PDE for guidance. This decoupling enables superior data efficiency and effective physics-informed learning, while naturally supporting Decoupled Annealing Posterior Sampling (DAPS) to avoid over-smoothing in Diffusion Posterior Sampling (DPS). Theoretically, we prove that DDIS avoids the guidance attenuation failure of joint models when training data is scarce. Empirically, DDIS achieves state-of-the-art performance under sparse observation, improving $l_2$ error by 11% and spectral error by 54% on average; when data is limited to 1%, DDIS maintains accuracy with 40% advantage in $l_2$ error compared to joint models.

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arXiv2026

Self-Supervised Learning via Flow-Guided Neural Operator on Time-Series Data

Self-supervised learning (SSL) is a powerful paradigm for learning from unlabeled time-series data. However, popular methods such as masked autoencoders (MAEs) rely on reconstructing inputs from a fixed, predetermined masking ratio. Instead of this static design, we propose treating the corruption level as a new degree of freedom for representation learning, enhancing flexibility and performance. To achieve this, we introduce the Flow-Guided Neural Operator (FGNO), a novel framework combining operator learning with flow matching for SSL training. FGNO learns mappings in functional spaces by using Short-Time Fourier Transform to unify different time resolutions. We extract a rich hierarchy of features by tapping into different network layers and flow times that apply varying strengths of noise to the input data. This enables the extraction of versatile representations, from low-level patterns to high-level global features, using a single model adaptable to specific tasks. Unlike prior generative SSL methods that use noisy inputs during inference, we propose using clean inputs for representation extraction while learning representations with noise; this eliminates randomness and boosts accuracy. We evaluate FGNO across three biomedical domains, where it consistently outperforms established baselines. Our method yields up to 35% AUROC gains in neural signal decoding (BrainTreeBank), 16% RMSE reductions in skin temperature prediction (DREAMT), and over 20% improvement in accuracy and macro-F1 on SleepEDF under low-data regimes. These results highlight FGNO's robustness to data scarcity and its superior capacity to learn expressive representations for diverse time series.

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arXiv2026

Function-Space Decoupled Diffusion for Forward and Inverse Modeling in Carbon Capture and Storage

Accurate characterization of subsurface flow is critical for Carbon Capture and Storage (CCS) but remains challenged by the ill-posed nature of inverse problems with sparse observations. We present Function-space Decoupled Diffusion Posterior Sampling (Fun-DDPS), a generative framework that combines function-space diffusion models with differentiable neural operator surrogates for both forward and inverse modeling. Our approach learns a prior distribution over geological parameters (geomodel) using a single-channel diffusion model, then leverages a Local Neural Operator (LNO) surrogate to provide physics-consistent guidance for cross-field conditioning on the dynamics field. This decoupling allows the diffusion prior to robustly recover missing information in parameter space, while the surrogate provides efficient gradient-based guidance for data assimilation. We demonstrate Fun-DDPS on synthetic CCS modeling datasets, achieving two key results: (1) For forward modeling with only 25% observations, Fun-DDPS achieves 7.7% relative error compared to 86.9% for standard surrogates (an 11x improvement), proving its capability to handle extreme data sparsity where deterministic methods fail. (2) We provide the first rigorous validation of diffusion-based inverse solvers against asymptotically exact Rejection Sampling (RS) posteriors. Both Fun-DDPS and the joint-state baseline (Fun-DPS) achieve Jensen-Shannon divergence less than 0.06 against the ground truth. Crucially, Fun-DDPS produces physically consistent realizations free from the high-frequency artifacts observed in joint-state baselines, achieving this with 4x improved sample efficiency compared to rejection sampling.

cs.LG↗

arXiv2026

Guided Diffusion Sampling on Function Spaces with Applications to PDEs

We propose a general framework for conditional sampling in PDE-based inverse problems, targeting the recovery of whole solutions from extremely sparse or noisy measurements. This is accomplished by a function-space diffusion model and plug-and-play guidance for conditioning. Our method first trains an unconditional, discretization-agnostic denoising model using neural operator architectures. At inference, we refine the samples to satisfy sparse observation data via a gradient-based guidance mechanism. Through rigorous mathematical analysis, we extend Tweedie's formula to infinite-dimensional Banach spaces, providing the theoretical foundation for our posterior sampling approach. Our method (FunDPS) accurately captures posterior distributions in function spaces under minimal supervision and severe data scarcity. Across five PDE tasks with only 3% observation, our method achieves an average 32% accuracy improvement over state-of-the-art fixed-resolution diffusion baselines while reducing sampling steps by 4x. Furthermore, multi-resolution fine-tuning ensures strong cross-resolution generalizability. To the best of our knowledge, this is the first diffusion-based framework to operate independently of discretization, offering a practical and flexible solution for forward and inverse problems in the context of PDEs. Code is available at https://github.com/neuraloperator/FunDPS

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arXiv2025

Backdooring Vision-Language Models with Out-Of-Distribution Data

The emergence of Vision-Language Models (VLMs) represents a significant advancement in integrating computer vision with Large Language Models (LLMs) to generate detailed text descriptions from visual inputs. Despite their growing importance, the security of VLMs, particularly against backdoor attacks, is under explored. Moreover, prior works often assume attackers have access to the original training data, which is often unrealistic. In this paper, we address a more practical and challenging scenario where attackers must rely solely on Out-Of-Distribution (OOD) data. We introduce VLOOD (Backdooring Vision-Language Models with Out-of-Distribution Data), a novel approach with two key contributions: (1) demonstrating backdoor attacks on VLMs in complex image-to-text tasks while minimizing degradation of the original semantics under poisoned inputs, and (2) proposing innovative techniques for backdoor injection without requiring any access to the original training data. Our evaluation on image captioning and visual question answering (VQA) tasks confirms the effectiveness of VLOOD, revealing a critical security vulnerability in VLMs and laying the foundation for future research on securing multimodal models against sophisticated threats.

cs.CV↗

arXiv2024

Adversarial Vessel-Unveiling Semi-Supervised Segmentation for Retinopathy of Prematurity Diagnosis

Accurate segmentation of retinal images plays a crucial role in aiding ophthalmologists in diagnosing retinopathy of prematurity (ROP) and assessing its severity. However, due to their underdeveloped, thinner vessels, manual annotation in infant fundus images is very complex, and this presents challenges for fully supervised learning. To address the scarcity of annotations, we propose a semi supervised segmentation framework designed to advance ROP studies without the need for extensive manual vessel annotation. Unlike previous methods that rely solely on limited labeled data, our approach leverages teacher student learning by integrating two powerful components: an uncertainty weighted vessel unveiling module and domain adversarial learning. The vessel unveiling module helps the model effectively reveal obscured and hard to detect vessel structures, while adversarial training aligns feature representations across different domains, ensuring robust and generalizable vessel segmentations. We validate our approach on public datasets (CHASEDB, STARE) and an in-house ROP dataset, demonstrating its superior performance across multiple evaluation metrics. Additionally, we extend the model's utility to a downstream task of ROP multi-stage classification, where vessel masks extracted by our segmentation model improve diagnostic accuracy. The promising results in classification underscore the model's potential for clinical application, particularly in early-stage ROP diagnosis and intervention. Overall, our work offers a scalable solution for leveraging unlabeled data in pediatric ophthalmology, opening new avenues for biomarker discovery and clinical research.

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arXiv2024

A Theoretical Study of Neural Network Expressive Power via Manifold Topology

A prevalent assumption regarding real-world data is that it lies on or close to a low-dimensional manifold. When deploying a neural network on data manifolds, the required size, i.e., the number of neurons of the network, heavily depends on the intricacy of the underlying latent manifold. While significant advancements have been made in understanding the geometric attributes of manifolds, it's essential to recognize that topology, too, is a fundamental characteristic of manifolds. In this study, we investigate network expressive power in terms of the latent data manifold. Integrating both topological and geometric facets of the data manifold, we present a size upper bound of ReLU neural networks.

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arXiv2024

Topological Analysis of Mouse Brain Vasculature via 3D Light-sheet Microscopy Images

Vascular networks play a crucial role in understanding brain functionalities. Brain integrity and function, neuronal activity and plasticity, which are crucial for learning, are actively modulated by their local environments, specifically vascular networks. With recent developments in high-resolution 3D light-sheet microscopy imaging together with tissue processing techniques, it becomes feasible to obtain and examine large-scale brain vasculature in mice. To establish a structural foundation for functional study, however, we need advanced image analysis and structural modeling methods. Existing works use geometric features such as thickness, tortuosity, etc. However, geometric features cannot fully capture structural characteristics such as the richness of branches, connectivity, etc. In this paper, we study the morphology of brain vasculature through a topological lens. We extract topological features based on the theory of topological data analysis. Comparing of these robust and multi-scale topological structural features across different brain anatomical structures and between normal and obese populations sheds light on their promising future in studying neurological diseases.

q-bio.NC↗

arXiv2024

Preconditioning for Physics-Informed Neural Networks

Physics-informed neural networks (PINNs) have shown promise in solving various partial differential equations (PDEs). However, training pathologies have negatively affected the convergence and prediction accuracy of PINNs, which further limits their practical applications. In this paper, we propose to use condition number as a metric to diagnose and mitigate the pathologies in PINNs. Inspired by classical numerical analysis, where the condition number measures sensitivity and stability, we highlight its pivotal role in the training dynamics of PINNs. We prove theorems to reveal how condition number is related to both the error control and convergence of PINNs. Subsequently, we present an algorithm that leverages preconditioning to improve the condition number. Evaluations of 18 PDE problems showcase the superior performance of our method. Significantly, in 7 of these problems, our method reduces errors by an order of magnitude. These empirical findings verify the critical role of the condition number in PINNs' training.

cs.LG↗

arXiv2023

PINNacle: A Comprehensive Benchmark of Physics-Informed Neural Networks for Solving PDEs

While significant progress has been made on Physics-Informed Neural Networks (PINNs), a comprehensive comparison of these methods across a wide range of Partial Differential Equations (PDEs) is still lacking. This study introduces PINNacle, a benchmarking tool designed to fill this gap. PINNacle provides a diverse dataset, comprising over 20 distinct PDEs from various domains, including heat conduction, fluid dynamics, biology, and electromagnetics. These PDEs encapsulate key challenges inherent to real-world problems, such as complex geometry, multi-scale phenomena, nonlinearity, and high dimensionality. PINNacle also offers a user-friendly toolbox, incorporating about 10 state-of-the-art PINN methods for systematic evaluation and comparison. We have conducted extensive experiments with these methods, offering insights into their strengths and weaknesses. In addition to providing a standardized means of assessing performance, PINNacle also offers an in-depth analysis to guide future research, particularly in areas such as domain decomposition methods and loss reweighting for handling multi-scale problems and complex geometry. To the best of our knowledge, it is the largest benchmark with a diverse and comprehensive evaluation that will undoubtedly foster further research in PINNs.

cs.LG↗

arXiv2023

Learning to Segment from Noisy Annotations: A Spatial Correction Approach

Noisy labels can significantly affect the performance of deep neural networks (DNNs). In medical image segmentation tasks, annotations are error-prone due to the high demand in annotation time and in the annotators' expertise. Existing methods mostly assume noisy labels in different pixels are \textit{i.i.d}. However, segmentation label noise usually has strong spatial correlation and has prominent bias in distribution. In this paper, we propose a novel Markov model for segmentation noisy annotations that encodes both spatial correlation and bias. Further, to mitigate such label noise, we propose a label correction method to recover true label progressively. We provide theoretical guarantees of the correctness of the proposed method. Experiments show that our approach outperforms current state-of-the-art methods on both synthetic and real-world noisy annotations.

eess.IV↗

arXiv2023

MultiAdam: Parameter-wise Scale-invariant Optimizer for Multiscale Training of Physics-informed Neural Networks

Physics-informed Neural Networks (PINNs) have recently achieved remarkable progress in solving Partial Differential Equations (PDEs) in various fields by minimizing a weighted sum of PDE loss and boundary loss. However, there are several critical challenges in the training of PINNs, including the lack of theoretical frameworks and the imbalance between PDE loss and boundary loss. In this paper, we present an analysis of second-order non-homogeneous PDEs, which are classified into three categories and applicable to various common problems. We also characterize the connections between the training loss and actual error, guaranteeing convergence under mild conditions. The theoretical analysis inspires us to further propose MultiAdam, a scale-invariant optimizer that leverages gradient momentum to parameter-wisely balance the loss terms. Extensive experiment results on multiple problems from different physical domains demonstrate that our MultiAdam solver can improve the predictive accuracy by 1-2 orders of magnitude compared with strong baselines.

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arXiv2022

On the Convergence of Optimizing Persistent-Homology-Based Losses

Topological loss based on persistent homology has shown promise in various applications. A topological loss enforces the model to achieve certain desired topological property. Despite its empirical success, less is known about the optimization behavior of the loss. In fact, the topological loss involves combinatorial configurations that may oscillate during optimization. In this paper, we introduce a general purpose regularized topology-aware loss. We propose a novel regularization term and also modify existing topological loss. These contributions lead to a new loss function that not only enforces the model to have desired topological behavior, but also achieves satisfying convergence behavior. Our main theoretical result guarantees that the loss can be optimized efficiently, under mild assumptions.

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