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Jul 30

Incorporating Surrogate Gradient Norm to Improve Offline Optimization Techniques

Offline optimization has recently emerged as an increasingly popular approach to mitigate the prohibitively expensive cost of online experimentation. The key idea is to learn a surrogate of the black-box function that underlines the target experiment using a static (offline) dataset of its previous input-output queries. Such an approach is, however, fraught with an out-of-distribution issue where the learned surrogate becomes inaccurate outside the offline data regimes. To mitigate this, existing offline optimizers have proposed numerous conditioning techniques to prevent the learned surrogate from being too erratic. Nonetheless, such conditioning strategies are often specific to particular surrogate or search models, which might not generalize to a different model choice. This motivates us to develop a model-agnostic approach instead, which incorporates a notion of model sharpness into the training loss of the surrogate as a regularizer. Our approach is supported by a new theoretical analysis demonstrating that reducing surrogate sharpness on the offline dataset provably reduces its generalized sharpness on unseen data. Our analysis extends existing theories from bounding generalized prediction loss (on unseen data) with loss sharpness to bounding the worst-case generalized surrogate sharpness with its empirical estimate on training data, providing a new perspective on sharpness regularization. Our extensive experimentation on a diverse range of optimization tasks also shows that reducing surrogate sharpness often leads to significant improvement, marking (up to) a noticeable 9.6% performance boost. Our code is publicly available at https://github.com/cuong-dm/IGNITE

  • 4 authors
·
Mar 6, 2025

Generalized Incremental Learning under Concept Drift across Evolving Data Streams

Real-world data streams exhibit inherent non-stationarity characterized by concept drift, posing significant challenges for adaptive learning systems. While existing methods address isolated distribution shifts, they overlook the critical co-evolution of label spaces and distributions under limited supervision and persistent uncertainty. To address this, we formalize Generalized Incremental Learning under Concept Drift (GILCD), characterizing the joint evolution of distributions and label spaces in open-environment streaming contexts, and propose a novel framework called Calibrated Source-Free Adaptation (CSFA). First, CSFA introduces a training-free prototype calibration mechanism that dynamically fuses emerging prototypes with base representations, enabling stable new-class identification without optimization overhead. Second, we design a novel source-free adaptation algorithm, i.e., Reliable Surrogate Gap Sharpness-aware (RSGS) minimization. It integrates sharpness-aware perturbation loss optimization with surrogate gap minimization, while employing entropy-based uncertainty filtering to discard unreliable samples. This mechanism ensures robust distribution alignment and mitigates generalization degradation caused by uncertainties. Therefore, CSFA establishes a unified framework for stable adaptation to evolving semantics and distributions in open-world streaming scenarios. Extensive experiments validate the superior performance and effectiveness of CSFA compared to state-of-the-art approaches.

  • 3 authors
·
Jun 6, 2025

Sharpness-Aware Training for Free

Modern deep neural networks (DNNs) have achieved state-of-the-art performances but are typically over-parameterized. The over-parameterization may result in undesirably large generalization error in the absence of other customized training strategies. Recently, a line of research under the name of Sharpness-Aware Minimization (SAM) has shown that minimizing a sharpness measure, which reflects the geometry of the loss landscape, can significantly reduce the generalization error. However, SAM-like methods incur a two-fold computational overhead of the given base optimizer (e.g. SGD) for approximating the sharpness measure. In this paper, we propose Sharpness-Aware Training for Free, or SAF, which mitigates the sharp landscape at almost zero additional computational cost over the base optimizer. Intuitively, SAF achieves this by avoiding sudden drops in the loss in the sharp local minima throughout the trajectory of the updates of the weights. Specifically, we suggest a novel trajectory loss, based on the KL-divergence between the outputs of DNNs with the current weights and past weights, as a replacement of the SAM's sharpness measure. This loss captures the rate of change of the training loss along the model's update trajectory. By minimizing it, SAF ensures the convergence to a flat minimum with improved generalization capabilities. Extensive empirical results show that SAF minimizes the sharpness in the same way that SAM does, yielding better results on the ImageNet dataset with essentially the same computational cost as the base optimizer.

  • 5 authors
·
May 27, 2022

A Modern Look at the Relationship between Sharpness and Generalization

Sharpness of minima is a promising quantity that can correlate with generalization in deep networks and, when optimized during training, can improve generalization. However, standard sharpness is not invariant under reparametrizations of neural networks, and, to fix this, reparametrization-invariant sharpness definitions have been proposed, most prominently adaptive sharpness (Kwon et al., 2021). But does it really capture generalization in modern practical settings? We comprehensively explore this question in a detailed study of various definitions of adaptive sharpness in settings ranging from training from scratch on ImageNet and CIFAR-10 to fine-tuning CLIP on ImageNet and BERT on MNLI. We focus mostly on transformers for which little is known in terms of sharpness despite their widespread usage. Overall, we observe that sharpness does not correlate well with generalization but rather with some training parameters like the learning rate that can be positively or negatively correlated with generalization depending on the setup. Interestingly, in multiple cases, we observe a consistent negative correlation of sharpness with out-of-distribution error implying that sharper minima can generalize better. Finally, we illustrate on a simple model that the right sharpness measure is highly data-dependent, and that we do not understand well this aspect for realistic data distributions. The code of our experiments is available at https://github.com/tml-epfl/sharpness-vs-generalization.

  • 5 authors
·
Feb 14, 2023

SHARP: Spectrum-aware Highly-dynamic Adaptation for Resolution Promotion in Remote Sensing Synthesis

Text-to-image generation powered by Diffusion Transformers (DiTs) has made remarkable strides, yet remote sensing (RS) synthesis lags behind due to two barriers: the absence of a domain-specialized DiT prior and the prohibitive cost of training at the large resolutions that RS applications demand. Training-free resolution promotion via Rotary Position Embedding (RoPE) rescaling offers a practical remedy, but every existing method applies a static positional scaling rule throughout the denoising process. This uniform compression is particularly harmful for RS imagery, whose substantially denser medium- and high-frequency energy encodes the fine structures critical for aerial-scene realism, such as vehicles, building contours, and road markings. Addressing both challenges requires a domain-specialized generative prior coupled with a denoising-aware positional adaptation strategy. To this end, we fine-tune FLUX on over 100,000 curated RS images to build a strong domain prior (RS-FLUX), and propose Spectrum-aware Highly-dynamic Adaptation for Resolution Promotion (SHARP), a training-free method that introduces a rational fractional time schedule k_rs(t) into RoPE. SHARP applies strong positional promotion during the early layout-formation stage and progressively relaxes it during detail recovery, aligning extrapolation strength with the frequency-progressive nature of diffusion denoising. Its resolution-agnostic formulation further enables robust multi-scale generation from a single set of hyperparameters. Extensive experiments across six square and rectangular resolutions show that SHARP consistently outperforms all training-free baselines on CLIP Score, Aesthetic Score, and HPSv2, with widening margins at more aggressive extrapolation factors and negligible computational overhead. Code and weights are available at https://github.com/bxuanz/SHARP.

  • 4 authors
·
Mar 23

Correcting Neural Operator Spectral Bias via Diffusion Posterior Sampling with Sparse Observations

Neural operator surrogates (NO) approximate PDE solutions orders of magnitude faster than numerical solvers, but suffer from spectral bias: high-frequency content is systematically attenuated, limiting reliability where fine-scale structure matters. Sparse sensor measurements of the field are often available too, offering pointwise accuracy without spectral distortion but covering only a small fraction of the domain. We address this by treating NO predictions as auxiliary observations in a diffusion posterior sampling framework. Our method, FreqNO-DPS (https://github.com/niccoloperrone/FreqNO-DPS), combines an unconditional score-based diffusion prior, trained on high-fidelity simulations, with diffusion posterior sampling (DPS) conditioned on sparse observations and guided by a frozen neural operator. Naive integration reintroduces the surrogate's spectral bias; we resolve this with a closed-form, spectrally shaped guidance score that weights the surrogate by its frequency-dependent accuracy and needs no denoiser backpropagation. A distribution-free analysis bounds the approximation error across the frequency-diffusion-time plane and shows the guidance's frequency dependence is preserved regardless of distributional assumptions. On 3D elastic wavefield prediction at 5% and 2% sensor coverage, the method reaches near-zero spectral bias across all bands, where both the surrogate and sensor-only DPS show systematic high-frequency attenuation. Isotropic guidance, the natural baseline, improves pointwise accuracy but carries the bias into the posterior nearly intact, confirming that frequency-dependent calibration is essential, not merely beneficial. The framework needs only paired surrogate/reference data and exploits no problem-specific structure beyond the residual's approximate spectral diagonality, verifiable for new surrogates via the coherence diagnostic we provide.

  • 4 authors
·
Jun 1

When Vision Transformers Outperform ResNets without Pre-training or Strong Data Augmentations

Vision Transformers (ViTs) and MLPs signal further efforts on replacing hand-wired features or inductive biases with general-purpose neural architectures. Existing works empower the models by massive data, such as large-scale pre-training and/or repeated strong data augmentations, and still report optimization-related problems (e.g., sensitivity to initialization and learning rates). Hence, this paper investigates ViTs and MLP-Mixers from the lens of loss geometry, intending to improve the models' data efficiency at training and generalization at inference. Visualization and Hessian reveal extremely sharp local minima of converged models. By promoting smoothness with a recently proposed sharpness-aware optimizer, we substantially improve the accuracy and robustness of ViTs and MLP-Mixers on various tasks spanning supervised, adversarial, contrastive, and transfer learning (e.g., +5.3\% and +11.0\% top-1 accuracy on ImageNet for ViT-B/16 and Mixer-B/16, respectively, with the simple Inception-style preprocessing). We show that the improved smoothness attributes to sparser active neurons in the first few layers. The resultant ViTs outperform ResNets of similar size and throughput when trained from scratch on ImageNet without large-scale pre-training or strong data augmentations. Model checkpoints are available at https://github.com/google-research/vision_transformer.

  • 3 authors
·
Jun 2, 2021 1

Hybrid Neural World Models

Neural surrogates promise large speedups over classical solvers for physical dynamics but fail silently at sharp dynamical events such as shocks, fronts, and contact. We present hybrid neural world models for physical dynamics: a recipe for training and deploying multi-horizon surrogates in physical state space, where a single network with continuous horizon conditioning is trained with direct supervision against textbook reference solvers to predict any future state at horizon T in one forward pass. Although no part of the training data, loss function, or architecture supervises discontinuity location, the trained surrogate encodes it implicitly, recoverable from its forward passes alone as a per-trajectory error map that concentrates on shocks, fronts, and contacts, and stays small elsewhere. The map is competitive with or better than standard label-free baselines including deep ensembles, learned error heads, gradient-magnitude indicators, and locally-adaptive conformal prediction, while using only a single trained network and requiring no calibration set or governing-equation knowledge. The recipe supports two operating points. Mode 1 runs the surrogate alone for maximum throughput, with same-hardware CPU speedups of 26x to 72x against textbook solvers on the PDE environments. Mode 2 uses the error map to gate a reference-solver fallback, deferring uncertain trajectories and roughly halving the surrogate's residual error at the default operating point. The recipe applies without modification across reaction-diffusion, compressible Euler, and rigid-body collision dynamics.

  • 2 authors
·
May 26 1

PULSE: Self-Supervised Photo Upsampling via Latent Space Exploration of Generative Models

The primary aim of single-image super-resolution is to construct high-resolution (HR) images from corresponding low-resolution (LR) inputs. In previous approaches, which have generally been supervised, the training objective typically measures a pixel-wise average distance between the super-resolved (SR) and HR images. Optimizing such metrics often leads to blurring, especially in high variance (detailed) regions. We propose an alternative formulation of the super-resolution problem based on creating realistic SR images that downscale correctly. We present an algorithm addressing this problem, PULSE (Photo Upsampling via Latent Space Exploration), which generates high-resolution, realistic images at resolutions previously unseen in the literature. It accomplishes this in an entirely self-supervised fashion and is not confined to a specific degradation operator used during training, unlike previous methods (which require supervised training on databases of LR-HR image pairs). Instead of starting with the LR image and slowly adding detail, PULSE traverses the high-resolution natural image manifold, searching for images that downscale to the original LR image. This is formalized through the "downscaling loss," which guides exploration through the latent space of a generative model. By leveraging properties of high-dimensional Gaussians, we restrict the search space to guarantee realistic outputs. PULSE thereby generates super-resolved images that both are realistic and downscale correctly. We show proof of concept of our approach in the domain of face super-resolution (i.e., face hallucination). We also present a discussion of the limitations and biases of the method as currently implemented with an accompanying model card with relevant metrics. Our method outperforms state-of-the-art methods in perceptual quality at higher resolutions and scale factors than previously possible.

  • 5 authors
·
Mar 8, 2020

Efficient and Transferable Adversarial Examples from Bayesian Neural Networks

An established way to improve the transferability of black-box evasion attacks is to craft the adversarial examples on an ensemble-based surrogate to increase diversity. We argue that transferability is fundamentally related to uncertainty. Based on a state-of-the-art Bayesian Deep Learning technique, we propose a new method to efficiently build a surrogate by sampling approximately from the posterior distribution of neural network weights, which represents the belief about the value of each parameter. Our extensive experiments on ImageNet, CIFAR-10 and MNIST show that our approach improves the success rates of four state-of-the-art attacks significantly (up to 83.2 percentage points), in both intra-architecture and inter-architecture transferability. On ImageNet, our approach can reach 94% of success rate while reducing training computations from 11.6 to 2.4 exaflops, compared to an ensemble of independently trained DNNs. Our vanilla surrogate achieves 87.5% of the time higher transferability than three test-time techniques designed for this purpose. Our work demonstrates that the way to train a surrogate has been overlooked, although it is an important element of transfer-based attacks. We are, therefore, the first to review the effectiveness of several training methods in increasing transferability. We provide new directions to better understand the transferability phenomenon and offer a simple but strong baseline for future work.

  • 5 authors
·
Nov 10, 2020

Machine Learning Surrogate Modeling for Homogenization of Hyperelastic Materials with Boolean Microstructures

Data-driven surrogate models are an alternative to numerical homogenization of heterogeneous materials. In this contribution, a supervised learning approach is presented for predicting effective Lamé parameters of hyperelastic composites from low-dimensional microstructural descriptors. The data set is based on previously published numerical homogenization results for ensembles of two-phase stochastic microstructures generated by planar Boolean models, covering variations of inclusion shape, phase contrast, and area fraction; see Brändel, Brands, Maike, Rheinbach, Schröder, Schwarz and Stoyan (2022). A neural network is trained on combinations of scalar and curve-valued statistical descriptors, including the area fraction, a derived scalar shape descriptor τ, the two-point correlation function S_2(r), and the lineal-path function ell(z). Additional data representing limiting cases of the parameter space are incorporated to stabilize training and improve extrapolation behavior. The surrogate is evaluated by leave-one-grain-type-out cross-validation in order to assess generalization to unseen grain geometries. Numerical results demonstrate that additional descriptors can reduce relative errors. A predictor trained with τ and S_2(r) provides a compact representation with good quantitative accuracy and regular dense response behavior. Adding the lineal-path function ell(z) further reduces the error at the available data points, indicating that it is a promising additional descriptor; however, dense post-training response evaluations show that improved pointwise accuracy does not automatically guarantee physically admissible behavior between sampled parameter values. This motivates future work on physically constrained surrogate models, loss formulations, bounded output parametrizations, and a more systematic representation of curve-valued geometric descriptors.

  • 2 authors
·
May 30

Standardized Benchmark Dataset for Localized Exposure to a Realistic Source at 10-90 GHz

The lack of freely available standardized datasets represents an aggravating factor during the development and testing the performance of novel computational techniques in exposure assessment and dosimetry research. This hinders progress as researchers are required to generate numerical data (field, power and temperature distribution) anew using simulation software for each exposure scenario. Other than being time consuming, this approach is highly susceptible to errors that occur during the configuration of the electromagnetic model. To address this issue, in this paper, the limited available data on the incident power density and resultant maximum temperature rise on the skin surface considering various steady-state exposure scenarios at 10-90 GHz have been statistically modeled. The synthetic data have been sampled from the fitted statistical multivariate distribution with respect to predetermined dosimetric constraints. We thus present a comprehensive and open-source dataset compiled of the high-fidelity numerical data considering various exposures to a realistic source. Furthermore, different surrogate models for predicting maximum temperature rise on the skin surface were fitted based on the synthetic dataset. All surrogate models were tested on the originally available data where satisfactory predictive performance has been demonstrated. A simple technique of combining quadratic polynomial and tensor-product spline surrogates, each operating on its own cluster of data, has achieved the lowest mean absolute error of 0.058 {\deg}C. Therefore, overall experimental results indicate the validity of the proposed synthetic dataset.

  • 3 authors
·
May 3, 2023

Sharp-It: A Multi-view to Multi-view Diffusion Model for 3D Synthesis and Manipulation

Advancements in text-to-image diffusion models have led to significant progress in fast 3D content creation. One common approach is to generate a set of multi-view images of an object, and then reconstruct it into a 3D model. However, this approach bypasses the use of a native 3D representation of the object and is hence prone to geometric artifacts and limited in controllability and manipulation capabilities. An alternative approach involves native 3D generative models that directly produce 3D representations. These models, however, are typically limited in their resolution, resulting in lower quality 3D objects. In this work, we bridge the quality gap between methods that directly generate 3D representations and ones that reconstruct 3D objects from multi-view images. We introduce a multi-view to multi-view diffusion model called Sharp-It, which takes a 3D consistent set of multi-view images rendered from a low-quality object and enriches its geometric details and texture. The diffusion model operates on the multi-view set in parallel, in the sense that it shares features across the generated views. A high-quality 3D model can then be reconstructed from the enriched multi-view set. By leveraging the advantages of both 2D and 3D approaches, our method offers an efficient and controllable method for high-quality 3D content creation. We demonstrate that Sharp-It enables various 3D applications, such as fast synthesis, editing, and controlled generation, while attaining high-quality assets.

  • 4 authors
·
Dec 3, 2024

In Search of the Successful Interpolation: On the Role of Sharpness in CLIP Generalization

Zero-shot models like CLIP are often fine-tuned on a target dataset to improve its accuracy further, but this can compromise out-of-distribution (OOD) robustness. Robust Fine-Tuning (RFT )~wortsman2021robust, which interpolates between the zero-shot and fine-tuned models, has been proposed to address this issue. However, understanding when RFT actually improves OOD error remains limited. In this work, we empirically investigate the robustness of RFT in CLIP models, with a focus on the sharpness of the CLIP model during interpolation. First, we demonstrate that while sharpness may not serve as a reliable indicator for predicting the generalization of modern architectures like CLIP on OOD data, this challenges the conventional belief in the generalization benefits of flat minima in foundation models. However, by examining the role of the straggler layer phenomenon, we show that, unlike overall sharpness, the layer-wise sharpness of straggler layers can reliably capture the generalization performance of interpolated CLIP models on OOD data. Our extensive experiments reveal that layer-wise sharpness correlates with generalization in OOD accuracy for RFT. Furthermore, we demonstrate that by inducing sparsity in the straggler layers, we can mitigate the failure mode phenomenon in RFT. To the best of our knowledge, this is the first work to study the role of sharpness in the success of interpolation in the weight space of CLIP foundation models. Our code is available at https://github.com/alirezaabdollahpour/CLIP_Mode_Connectivity.

  • 1 authors
·
Oct 21, 2024

Toward Understanding Why Adam Converges Faster Than SGD for Transformers

While stochastic gradient descent (SGD) is still the most popular optimization algorithm in deep learning, adaptive algorithms such as Adam have established empirical advantages over SGD in some deep learning applications such as training transformers. However, it remains a question that why Adam converges significantly faster than SGD in these scenarios. In this paper, we propose one explanation of why Adam converges faster than SGD using a new concept directional sharpness. We argue that the performance of optimization algorithms is closely related to the directional sharpness of the update steps, and show SGD has much worse directional sharpness compared to adaptive algorithms. We further observe that only a small fraction of the coordinates causes the bad sharpness and slow convergence of SGD, and propose to use coordinate-wise clipping as a solution to SGD and other optimization algorithms. We demonstrate the effect of coordinate-wise clipping on sharpness reduction and speeding up the convergence of optimization algorithms under various settings. We show that coordinate-wise clipping improves the local loss reduction when only a small fraction of the coordinates has bad sharpness. We conclude that the sharpness reduction effect of adaptive coordinate-wise scaling is the reason for Adam's success in practice and suggest the use of coordinate-wise clipping as a universal technique to speed up deep learning optimization.

  • 2 authors
·
May 31, 2023

GuideSR: Rethinking Guidance for One-Step High-Fidelity Diffusion-Based Super-Resolution

In this paper, we propose GuideSR, a novel single-step diffusion-based image super-resolution (SR) model specifically designed to enhance image fidelity. Existing diffusion-based SR approaches typically adapt pre-trained generative models to image restoration tasks by adding extra conditioning on a VAE-downsampled representation of the degraded input, which often compromises structural fidelity. GuideSR addresses this limitation by introducing a dual-branch architecture comprising: (1) a Guidance Branch that preserves high-fidelity structures from the original-resolution degraded input, and (2) a Diffusion Branch, which a pre-trained latent diffusion model to enhance perceptual quality. Unlike conventional conditioning mechanisms, our Guidance Branch features a tailored structure for image restoration tasks, combining Full Resolution Blocks (FRBs) with channel attention and an Image Guidance Network (IGN) with guided attention. By embedding detailed structural information directly into the restoration pipeline, GuideSR produces sharper and more visually consistent results. Extensive experiments on benchmark datasets demonstrate that GuideSR achieves state-of-the-art performance while maintaining the low computational cost of single-step approaches, with up to 1.39dB PSNR gain on challenging real-world datasets. Our approach consistently outperforms existing methods across various reference-based metrics including PSNR, SSIM, LPIPS, DISTS and FID, further representing a practical advancement for real-world image restoration.

  • 6 authors
·
May 1, 2025

A Data-Driven Framework for Designing Microstructure of Multifunctional Composites with Deep-Learned Diffusion-Based Generative Models

This paper puts forward an integrated microstructure design methodology that replaces the common existing design approaches: 1) reconstruction of microstructures, 2) analyzing and quantifying material properties, and 3) inverse design of materials using deep-learned generative and surrogate models. The long-standing issue of microstructure reconstruction is well addressed in this study using a new class of state-of-the-art generative model, the diffusion-based generative model (DGM). Moreover, the conditional formulation of DGM for guidance to the embedded desired material properties with a transformer-based attention mechanism enables the inverse design of multifunctional composites. A convolutional neural network (CNN)-based surrogate model is utilized to analyze the nonlinear material behavior to facilitate the prediction of material properties for building microstructure-property linkages. Combined, these generative and surrogate models enable large data processing and database construction that is often not affordable with resource-intensive finite element method (FEM)-based direct numerical simulation (DNS) and iterative reconstruction methods. An example case is presented to demonstrate the effectiveness of the proposed approach, which is designing mechanoluminescence (ML) particulate composites made of europium and dysprosium ions. The results show that the inversely-designed multiple ML microstructure candidates with the proposed generative and surrogate models meet the multiple design requirements (e.g., volume fraction, elastic constant, and light sensitivity). The evaluation of the generated samples' quality and the surrogate models' performance using appropriate metrics are also included. This assessment demonstrates that the proposed integrated methodology offers an end-to-end solution for practical material design applications.

  • 3 authors
·
Jul 14, 2023

Accurate Machine Learning Atmospheric Retrieval via a Neural Network Surrogate Model for Radiative Transfer

Atmospheric retrieval determines the properties of an atmosphere based on its measured spectrum. The low signal-to-noise ratio of exoplanet observations require a Bayesian approach to determine posterior probability distributions of each model parameter, given observed spectra. This inference is computationally expensive, as it requires many executions of a costly radiative transfer (RT) simulation for each set of sampled model parameters. Machine learning (ML) has recently been shown to provide a significant reduction in runtime for retrievals, mainly by training inverse ML models that predict parameter distributions, given observed spectra, albeit with reduced posterior accuracy. Here we present a novel approach to retrieval by training a forward ML surrogate model that predicts spectra given model parameters, providing a fast approximate RT simulation that can be used in a conventional Bayesian retrieval framework without significant loss of accuracy. We demonstrate our method on the emission spectrum of HD 189733 b and find good agreement with a traditional retrieval from the Bayesian Atmospheric Radiative Transfer (BART) code (Bhattacharyya coefficients of 0.9843--0.9972, with a mean of 0.9925, between 1D marginalized posteriors). This accuracy comes while still offering significant speed enhancements over traditional RT, albeit not as much as ML methods with lower posterior accuracy. Our method is ~9x faster per parallel chain than BART when run on an AMD EPYC 7402P central processing unit (CPU). Neural-network computation using an NVIDIA Titan Xp graphics processing unit is 90--180x faster per chain than BART on that CPU.

  • 11 authors
·
Mar 4, 2020

Surrogate Modeling of Car Drag Coefficient with Depth and Normal Renderings

Generative AI models have made significant progress in automating the creation of 3D shapes, which has the potential to transform car design. In engineering design and optimization, evaluating engineering metrics is crucial. To make generative models performance-aware and enable them to create high-performing designs, surrogate modeling of these metrics is necessary. However, the currently used representations of three-dimensional (3D) shapes either require extensive computational resources to learn or suffer from significant information loss, which impairs their effectiveness in surrogate modeling. To address this issue, we propose a new two-dimensional (2D) representation of 3D shapes. We develop a surrogate drag model based on this representation to verify its effectiveness in predicting 3D car drag. We construct a diverse dataset of 9,070 high-quality 3D car meshes labeled by drag coefficients computed from computational fluid dynamics (CFD) simulations to train our model. Our experiments demonstrate that our model can accurately and efficiently evaluate drag coefficients with an R^2 value above 0.84 for various car categories. Moreover, the proposed representation method can be generalized to many other product categories beyond cars. Our model is implemented using deep neural networks, making it compatible with recent AI image generation tools (such as Stable Diffusion) and a significant step towards the automatic generation of drag-optimized car designs. We have made the dataset and code publicly available at https://decode.mit.edu/projects/dragprediction/.

  • 5 authors
·
May 26, 2023

Efficient Implementation of Gaussian Process Regression Accelerated Saddle Point Searches with Application to Molecular Reactions

The task of locating first order saddle points on high-dimensional surfaces describing the variation of energy as a function of atomic coordinates is an essential step for identifying the mechanism and estimating the rate of thermally activated events within the harmonic approximation of transition state theory. When combined directly with electronic structure calculations, the number of energy and atomic force evaluations needed for convergence is a primary issue. Here, we describe an efficient implementation of Gaussian process regression (GPR) acceleration of the minimum mode following method where a dimer is used to estimate the lowest eigenmode of the Hessian. A surrogate energy surface is constructed and updated after each electronic structure calculation. The method is applied to a test set of 500 molecular reactions previously generated by Hermez and coworkers [J. Chem. Theory Comput. 18, 6974 (2022)]. An order of magnitude reduction in the number of electronic structure calculations needed to reach the saddle point configurations is obtained by using the GPR compared to the dimer method. Despite the wide range in stiffness of the molecular degrees of freedom, the calculations are carried out using Cartesian coordinates and are found to require similar number of electronic structure calculations as an elaborate internal coordinate method implemented in the Sella software package. The present implementation of the GPR surrogate model in C++ is efficient enough for the wall time of the saddle point searches to be reduced in 3 out of 4 cases even though the calculations are carried out at a low Hartree-Fock level.

  • 5 authors
·
May 18, 2025 1

A Tutorial on Bayesian Optimization

Bayesian optimization is an approach to optimizing objective functions that take a long time (minutes or hours) to evaluate. It is best-suited for optimization over continuous domains of less than 20 dimensions, and tolerates stochastic noise in function evaluations. It builds a surrogate for the objective and quantifies the uncertainty in that surrogate using a Bayesian machine learning technique, Gaussian process regression, and then uses an acquisition function defined from this surrogate to decide where to sample. In this tutorial, we describe how Bayesian optimization works, including Gaussian process regression and three common acquisition functions: expected improvement, entropy search, and knowledge gradient. We then discuss more advanced techniques, including running multiple function evaluations in parallel, multi-fidelity and multi-information source optimization, expensive-to-evaluate constraints, random environmental conditions, multi-task Bayesian optimization, and the inclusion of derivative information. We conclude with a discussion of Bayesian optimization software and future research directions in the field. Within our tutorial material we provide a generalization of expected improvement to noisy evaluations, beyond the noise-free setting where it is more commonly applied. This generalization is justified by a formal decision-theoretic argument, standing in contrast to previous ad hoc modifications.

  • 1 authors
·
Jul 8, 2018

Multi-fidelity Bayesian Optimization in Engineering Design

Resided at the intersection of multi-fidelity optimization (MFO) and Bayesian optimization (BO), MF BO has found a niche in solving expensive engineering design optimization problems, thanks to its advantages in incorporating physical and mathematical understandings of the problems, saving resources, addressing exploitation-exploration trade-off, considering uncertainty, and processing parallel computing. The increasing number of works dedicated to MF BO suggests the need for a comprehensive review of this advanced optimization technique. In this paper, we survey recent developments of two essential ingredients of MF BO: Gaussian process (GP) based MF surrogates and acquisition functions. We first categorize the existing MF modeling methods and MFO strategies to locate MF BO in a large family of surrogate-based optimization and MFO algorithms. We then exploit the common properties shared between the methods from each ingredient of MF BO to describe important GP-based MF surrogate models and review various acquisition functions. By doing so, we expect to provide a structured understanding of MF BO. Finally, we attempt to reveal important aspects that require further research for applications of MF BO in solving intricate yet important design optimization problems, including constrained optimization, high-dimensional optimization, optimization under uncertainty, and multi-objective optimization.

  • 2 authors
·
Nov 21, 2023

Domain-adaptive Video Deblurring via Test-time Blurring

Dynamic scene video deblurring aims to remove undesirable blurry artifacts captured during the exposure process. Although previous video deblurring methods have achieved impressive results, they suffer from significant performance drops due to the domain gap between training and testing videos, especially for those captured in real-world scenarios. To address this issue, we propose a domain adaptation scheme based on a blurring model to achieve test-time fine-tuning for deblurring models in unseen domains. Since blurred and sharp pairs are unavailable for fine-tuning during inference, our scheme can generate domain-adaptive training pairs to calibrate a deblurring model for the target domain. First, a Relative Sharpness Detection Module is proposed to identify relatively sharp regions from the blurry input images and regard them as pseudo-sharp images. Next, we utilize a blurring model to produce blurred images based on the pseudo-sharp images extracted during testing. To synthesize blurred images in compliance with the target data distribution, we propose a Domain-adaptive Blur Condition Generation Module to create domain-specific blur conditions for the blurring model. Finally, the generated pseudo-sharp and blurred pairs are used to fine-tune a deblurring model for better performance. Extensive experimental results demonstrate that our approach can significantly improve state-of-the-art video deblurring methods, providing performance gains of up to 7.54dB on various real-world video deblurring datasets. The source code is available at https://github.com/Jin-Ting-He/DADeblur.

  • 7 authors
·
Jul 12, 2024

MetaFormer: High-fidelity Metalens Imaging via Aberration Correcting Transformers

Metalens is an emerging optical system with an irreplaceable merit in that it can be manufactured in ultra-thin and compact sizes, which shows great promise of various applications such as medical imaging and augmented/virtual reality (AR/VR). Despite its advantage in miniaturization, its practicality is constrained by severe aberrations and distortions, which significantly degrade the image quality. Several previous arts have attempted to address different types of aberrations, yet most of them are mainly designed for the traditional bulky lens and not convincing enough to remedy harsh aberrations of the metalens. While there have existed aberration correction methods specifically for metalens, they still fall short of restoration quality. In this work, we propose MetaFormer, an aberration correction framework for metalens-captured images, harnessing Vision Transformers (ViT) that has shown remarkable restoration performance in diverse image restoration tasks. Specifically, we devise a Multiple Adaptive Filters Guidance (MAFG), where multiple Wiener filters enrich the degraded input images with various noise-detail balances, enhancing output restoration quality. In addition, we introduce a Spatial and Transposed self-Attention Fusion (STAF) module, which aggregates features from spatial self-attention and transposed self-attention modules to further ameliorate aberration correction. We conduct extensive experiments, including correcting aberrated images and videos, and clean 3D reconstruction from the degraded images. The proposed method outperforms the previous arts by a significant margin. We further fabricate a metalens and verify the practicality of MetaFormer by restoring the images captured with the manufactured metalens in the wild. Code and pre-trained models are available at https://benhenryl.github.io/MetaFormer

  • 10 authors
·
Dec 5, 2024

A Study of Bayesian Neural Network Surrogates for Bayesian Optimization

Bayesian optimization is a highly efficient approach to optimizing objective functions which are expensive to query. These objectives are typically represented by Gaussian process (GP) surrogate models which are easy to optimize and support exact inference. While standard GP surrogates have been well-established in Bayesian optimization, Bayesian neural networks (BNNs) have recently become practical function approximators, with many benefits over standard GPs such as the ability to naturally handle non-stationarity and learn representations for high-dimensional data. In this paper, we study BNNs as alternatives to standard GP surrogates for optimization. We consider a variety of approximate inference procedures for finite-width BNNs, including high-quality Hamiltonian Monte Carlo, low-cost stochastic MCMC, and heuristics such as deep ensembles. We also consider infinite-width BNNs and partially stochastic models such as deep kernel learning. We evaluate this collection of surrogate models on diverse problems with varying dimensionality, number of objectives, non-stationarity, and discrete and continuous inputs. We find: (i) the ranking of methods is highly problem dependent, suggesting the need for tailored inductive biases; (ii) HMC is the most successful approximate inference procedure for fully stochastic BNNs; (iii) full stochasticity may be unnecessary as deep kernel learning is relatively competitive; (iv) infinite-width BNNs are particularly promising, especially in high dimensions.

  • 3 authors
·
May 31, 2023

VOSR: A Vision-Only Generative Model for Image Super-Resolution

Most of the recent generative image super-resolution (SR) methods rely on adapting large text-to-image (T2I) diffusion models pretrained on web-scale text-image data. While effective, this paradigm starts from a generic T2I generator, despite that SR is fundamentally a low-resolution (LR) input-conditioned image restoration task. In this work, we investigate whether an SR model trained purely on visual data can rival T2I-based ones. To this end, we propose VOSR, a Vision-Only generative framework for SR. We first extract semantically rich and spatially grounded features from the LR input using a pretrained vision encoder as visual semantic guidance. We then revisit classifier-free guidance for training generative models and show that the standard unconditional branch is ill-suited to restoration models trained from scratch. We therefore replace it with a restoration-oriented guidance strategy that preserves weak LR anchors. Built upon these designs, we first train a multi-step VOSR model from scratch and then distill it into a one-step model for efficient inference. VOSR requires less than one-tenth of the training cost of representative T2I-based SR methods, yet in both multi-step and one-step settings, it achieves competitive or even better perceptual quality and efficiency, while producing more faithful structures with fewer hallucinations on both synthetic and real-world benchmarks. Our results, for the first time, show that high-quality generative SR can be achieved without multimodal pretraining. The code and models can be found at https://github.com/cswry/VOSR.

  • 7 authors
·
Apr 2

TRAM: Bridging Trust Regions and Sharpness Aware Minimization

Sharpness-aware minimization (SAM) reports improving domain generalization by reducing the loss surface curvature in the parameter space. However, generalization during fine-tuning is often more dependent on the transferability of representations in the function space. Trust-region methods (TR) target this goal by regularizing representation curvature to reduce catastrophic forgetting of pre-trained task-agnostic information while adopting task-specific skills. We consider unifying these strategies for low curvature in both parameter space and function space to improve out-of-domain (OOD) generalization. We propose Trust Region Aware Minimization (TRAM), a SAM algorithm fine-tuning for low parameter sharpness and smooth, informative representations preserving pre-trained structure. TRAM uses a trust region bound to inform the SAM adversarial neighborhood, introducing an awareness of function curvature within optimization for flatter minima. We empirically validate TRAM in vision (cross-dataset adaptation) and text (OOD language modeling, zero-shot cross-lingual transfer) tasks where robust domain transfer and representation generality are critical. TRAM outperforms SAM- and TR-based optimization across all tasks, notably surpassing competing methods for hard transfer between anticorrelated domains. TRAM establishes a novel standard in fine-tuning for domain-generalizable models with minimal additional computation over previous sharpness-aware methods.

  • 4 authors
·
Oct 5, 2023

Hallucination Score: Towards Mitigating Hallucinations in Generative Image Super-Resolution

Generative super-resolution (GSR) currently sets the state-of-the-art in terms of perceptual image quality, overcoming the "regression-to-the-mean" blur of prior non-generative models. However, from a human perspective, such models do not fully conform to the optimal balance between quality and fidelity. Instead, a different class of artifacts, in which generated details fail to perceptually match the low resolution image (LRI) or ground-truth image (GTI), is a critical but under studied issue in GSR, limiting its practical deployments. In this work, we focus on measuring, analyzing, and mitigating these artifacts (i.e., "hallucinations"). We observe that hallucinations are not well-characterized with existing image metrics or quality models, as they are orthogonal to both exact fidelity and no-reference quality. Instead, we take advantage of a multimodal large language model (MLLM) by constructing a prompt that assesses hallucinatory visual elements and generates a "Hallucination Score" (HS). We find that our HS is closely aligned with human evaluations, and also provides complementary insights to prior image metrics used for super-resolution (SR) models. In addition, we find certain deep feature distances have strong correlations with HS. We therefore propose to align the GSR models by using such features as differentiable reward functions to mitigate hallucinations.

  • 6 authors
·
Jul 18, 2025

Adaptive Generalized Elliptical Slice Sampling

A central challenge in gradient-free MCMC is designing algorithms that simultaneously bypass manual tuning, scale efficiently with dimension, and adapt to local target geometry. While adaptive strategies can auto-tune generic frameworks like random walk Metropolis, they offer slow, linear-order scaling of mixing times with dimension. Elliptical slice sampling (ESS) offers a promising alternative: it is tuning-free, adjusts to local geometry, and can achieve nearly dimension-free scaling under favorable conditions. However, its efficiency degrades rapidly if there is a mismatch between the target distribution and the distribution used to generate the ellipse-defining auxiliary variables, precluding its use in high-dimensional settings. We demonstrate that a careful synthesis of ESS and diminishing adaptation directly resolves these bottlenecks. The resulting adaptive generalized elliptical slice sampler (AGESS) self-corrects from a slow-mixing to a fast-mixing regime, while preserving ergodicity across a wide variety of target densities satisfying mild regularity conditions. The algorithm's utility is demonstrated across a broad collection of challenging applications, including generalized regression, deep Gaussian process surrogate modeling, and high-dimensional sparse regression. Together, our theoretical results and the case studies give evidence of the efficiency and robustness of AGESS across target distributions that are non-elliptical, non-differentiable, multi-modal, or high-dimensional.

  • 2 authors
·
Jun 2

Harnessing Selective State Space Models to Enhance Semianalytical Design of Fabrication-Ready Multilayered Huygens' Metasurfaces: Part II - Generative Inverse Design (MetaMamba)

We present a generative framework for inverse design of five-layer transmissive Huygens' metasurfaces (HMSs), addressing a longstanding challenge in achieving full-phase, high-efficiency unit cell designs with minimal full-wave simulations. The key to achieving this is our reliance on the field-based semianalytical (SA) scheme developed in Part I of this paper, which allows rapid and highly effective synthesis of such multilayer composites, however with limited accuracy. To overcome the prohibitive data demands of traditional pipelines, we employ Mamba, a selective state space model well suited for long-range sequence modeling as the backbone of our learning framework. A bidirectional Mamba (Bi-Mamba) forward surrogate is first trained on SA-generated data and subsequently fine-tuned with full-wave CST samples. An ablation over a 1080-sample CST pool shows that as few as 270 full-wave calibration samples suffice to reach near-CST-level agreement at a fraction of the simulation cost. An autoregressive Mamba inverse generator is subsequently trained on surrogate-augmented data, treating unit-cell synthesis as a sequential generation task. The resulting one-to-many generative model produces diverse unit cell geometries conditioned on target scattering responses. It achieves CST-validated designs with field transmission magnitude 0.9 across the full 0-2π phase range at 20 GHz. Moreover, a CST-calibrated surrogate trained to accurately predict frequency responses (18-22 GHz) enables functional post-selection of inverse generated designs. Together, the hybrid SA-generative methodology in this two-part compilation establishes a scalable and data-efficient solution for multilayer HMS synthesis, with natural extensions toward broadband, oblique-incidence, and higher-dimensional electromagnetic inverse-design problems.

  • 5 authors
·
Mar 4

DeblurNVS: Geometric Latent Diffusion for Novel View Synthesis from Sparse Motion-Blurred Images

Novel view synthesis (NVS) is a fundamental problem in computer vision and graphics. Recent advances in neural radiance fields (NeRF), 3D Gaussian Splatting (3DGS), and generative view synthesis have substantially improved its quality. Yet most methods still rely on clean observations, where image structures and cross-view geometric cues are well preserved. Motion blur breaks this assumption by corrupting local details and weakening multi-view correspondences. Such blur commonly arises from camera shake, scene motion, or finite exposure in practical capture. Blur-aware NVS methods address this degradation by modeling image formation, but their reliance on costly per-scene optimization limits efficient and generalizable sparse-view synthesis. To address this, we propose DeblurNVS, a novel framework for synthesizing high-fidelity novel views directly from sparse motion-blurred images, without requiring per-scene optimization. DeblurNVS restores the intermediate geometric representations needed for multi-view reasoning, enabling blurred inputs to recover reliable structure and correspondence cues. The restored representations are then combined with target camera information to synthesize the target-view representation and reconstruct a sharp RGB novel view. To enable the large-scale training, we construct a motion-blurred NVS dataset from DL3DV-10K using interpolation-based finite-exposure blur synthesis. Extensive experiments demonstrate that DeblurNVS outperforms existing baselines on synthetic motion-blur benchmarks and generalizes to real motion-blurred scenes, producing perceptually sharper and structurally more stable novel views while avoiding costly per-scene optimization. Project page: https://github.com/PKU-YuanGroup/DeblurNVS.

  • 4 authors
·
May 30

StableNormal: Reducing Diffusion Variance for Stable and Sharp Normal

This work addresses the challenge of high-quality surface normal estimation from monocular colored inputs (i.e., images and videos), a field which has recently been revolutionized by repurposing diffusion priors. However, previous attempts still struggle with stochastic inference, conflicting with the deterministic nature of the Image2Normal task, and costly ensembling step, which slows down the estimation process. Our method, StableNormal, mitigates the stochasticity of the diffusion process by reducing inference variance, thus producing "Stable-and-Sharp" normal estimates without any additional ensembling process. StableNormal works robustly under challenging imaging conditions, such as extreme lighting, blurring, and low quality. It is also robust against transparent and reflective surfaces, as well as cluttered scenes with numerous objects. Specifically, StableNormal employs a coarse-to-fine strategy, which starts with a one-step normal estimator (YOSO) to derive an initial normal guess, that is relatively coarse but reliable, then followed by a semantic-guided refinement process (SG-DRN) that refines the normals to recover geometric details. The effectiveness of StableNormal is demonstrated through competitive performance in standard datasets such as DIODE-indoor, iBims, ScannetV2 and NYUv2, and also in various downstream tasks, such as surface reconstruction and normal enhancement. These results evidence that StableNormal retains both the "stability" and "sharpness" for accurate normal estimation. StableNormal represents a baby attempt to repurpose diffusion priors for deterministic estimation. To democratize this, code and models have been publicly available in hf.co/Stable-X

  • 9 authors
·
Jun 24, 2024

UU-Mamba: Uncertainty-aware U-Mamba for Cardiovascular Segmentation

Building on the success of deep learning models in cardiovascular structure segmentation, increasing attention has been focused on improving generalization and robustness, particularly in small, annotated datasets. Despite recent advancements, current approaches often face challenges such as overfitting and accuracy limitations, largely due to their reliance on large datasets and narrow optimization techniques. This paper introduces the UU-Mamba model, an extension of the U-Mamba architecture, designed to address these challenges in both cardiac and vascular segmentation. By incorporating Sharpness-Aware Minimization (SAM), the model enhances generalization by targeting flatter minima in the loss landscape. Additionally, we propose an uncertainty-aware loss function that combines region-based, distribution-based, and pixel-based components to improve segmentation accuracy by capturing both local and global features. While the UU-Mamba model has already demonstrated great performance, further testing is required to fully assess its generalization and robustness. We expand our evaluation by conducting new trials on the ImageCAS (coronary artery) and Aorta (aortic branches and zones) datasets, which present more complex segmentation challenges than the ACDC dataset (left and right ventricles) used in our previous work, showcasing the model's adaptability and resilience. We confirm UU-Mamba's superior performance over leading models such as TransUNet, Swin-Unet, nnUNet, and nnFormer. Moreover, we provide a more comprehensive evaluation of the model's robustness and segmentation accuracy, as demonstrated by extensive experiments.

  • 8 authors
·
Sep 21, 2024

Target-based Surrogates for Stochastic Optimization

We consider minimizing functions for which it is expensive to compute the (possibly stochastic) gradient. Such functions are prevalent in reinforcement learning, imitation learning and adversarial training. Our target optimization framework uses the (expensive) gradient computation to construct surrogate functions in a target space (e.g. the logits output by a linear model for classification) that can be minimized efficiently. This allows for multiple parameter updates to the model, amortizing the cost of gradient computation. In the full-batch setting, we prove that our surrogate is a global upper-bound on the loss, and can be (locally) minimized using a black-box optimization algorithm. We prove that the resulting majorization-minimization algorithm ensures convergence to a stationary point of the loss. Next, we instantiate our framework in the stochastic setting and propose the SSO algorithm, which can be viewed as projected stochastic gradient descent in the target space. This connection enables us to prove theoretical guarantees for SSO when minimizing convex functions. Our framework allows the use of standard stochastic optimization algorithms to construct surrogates which can be minimized by any deterministic optimization method. To evaluate our framework, we consider a suite of supervised learning and imitation learning problems. Our experiments indicate the benefits of target optimization and the effectiveness of SSO.

  • 5 authors
·
Feb 6, 2023

ProRes: Exploring Degradation-aware Visual Prompt for Universal Image Restoration

Image restoration aims to reconstruct degraded images, e.g., denoising or deblurring. Existing works focus on designing task-specific methods and there are inadequate attempts at universal methods. However, simply unifying multiple tasks into one universal architecture suffers from uncontrollable and undesired predictions. To address those issues, we explore prompt learning in universal architectures for image restoration tasks. In this paper, we present Degradation-aware Visual Prompts, which encode various types of image degradation, e.g., noise and blur, into unified visual prompts. These degradation-aware prompts provide control over image processing and allow weighted combinations for customized image restoration. We then leverage degradation-aware visual prompts to establish a controllable and universal model for image restoration, called ProRes, which is applicable to an extensive range of image restoration tasks. ProRes leverages the vanilla Vision Transformer (ViT) without any task-specific designs. Furthermore, the pre-trained ProRes can easily adapt to new tasks through efficient prompt tuning with only a few images. Without bells and whistles, ProRes achieves competitive performance compared to task-specific methods and experiments can demonstrate its ability for controllable restoration and adaptation for new tasks. The code and models will be released in https://github.com/leonmakise/ProRes.

  • 6 authors
·
Jun 22, 2023

Posterior-Mean Rectified Flow: Towards Minimum MSE Photo-Realistic Image Restoration

Photo-realistic image restoration algorithms are typically evaluated by distortion measures (e.g., PSNR, SSIM) and by perceptual quality measures (e.g., FID, NIQE), where the desire is to attain the lowest possible distortion without compromising on perceptual quality. To achieve this goal, current methods typically attempt to sample from the posterior distribution, or to optimize a weighted sum of a distortion loss (e.g., MSE) and a perceptual quality loss (e.g., GAN). Unlike previous works, this paper is concerned specifically with the optimal estimator that minimizes the MSE under a constraint of perfect perceptual index, namely where the distribution of the reconstructed images is equal to that of the ground-truth ones. A recent theoretical result shows that such an estimator can be constructed by optimally transporting the posterior mean prediction (MMSE estimate) to the distribution of the ground-truth images. Inspired by this result, we introduce Posterior-Mean Rectified Flow (PMRF), a simple yet highly effective algorithm that approximates this optimal estimator. In particular, PMRF first predicts the posterior mean, and then transports the result to a high-quality image using a rectified flow model that approximates the desired optimal transport map. We investigate the theoretical utility of PMRF and demonstrate that it consistently outperforms previous methods on a variety of image restoration tasks.

  • 3 authors
·
Oct 1, 2024 3

Edit2Restore:Few-Shot Image Restoration via Parameter-Efficient Adaptation of Pre-trained Editing Models

Image restoration has traditionally required training specialized models on thousands of paired examples per degradation type. We challenge this paradigm by demonstrating that powerful pre-trained text-conditioned image editing models can be efficiently adapted for multiple restoration tasks through parameter-efficient fine-tuning with remarkably few examples. Our approach fine-tunes LoRA adapters on FLUX.1 Kontext, a state-of-the-art 12B parameter flow matching model for image-to-image translation, using only 16-128 paired images per task, guided by simple text prompts that specify the restoration operation. Unlike existing methods that train specialized restoration networks from scratch with thousands of samples, we leverage the rich visual priors already encoded in large-scale pre-trained editing models, dramatically reducing data requirements while maintaining high perceptual quality. A single unified LoRA adapter, conditioned on task-specific text prompts, effectively handles multiple degradations including denoising, deraining, and dehazing. Through comprehensive ablation studies, we analyze: (i) the impact of training set size on restoration quality, (ii) trade-offs between task-specific versus unified multi-task adapters, (iii) the role of text encoder fine-tuning, and (iv) zero-shot baseline performance. While our method prioritizes perceptual quality over pixel-perfect reconstruction metrics like PSNR/SSIM, our results demonstrate that pre-trained image editing models, when properly adapted, offer a compelling and data-efficient alternative to traditional image restoration approaches, opening new avenues for few-shot, prompt-guided image enhancement. The code to reproduce our results are available at: https://github.com/makinyilmaz/Edit2Restore

  • 4 authors
·
Jan 6

Uncertainty Quantification for Multi-fidelity Simulations

The work focuses on gathering high-fidelity and low-fidelity numerical simulations data using Nektar++ (Solver based on Applied Mathematics) and XFOIL respectively. The utilization of the higher polynomial distribution in calculating the Coefficient of lift and drag has demonstrated superior accuracy and precision. Further, Co-kriging Data fusion and Adaptive sampling technique has been used to obtain the precise data predictions for the lift and drag within the confined domain without conducting the costly simulations on HPC clusters. This creates a methodology to quantifying uncertainty in computational fluid dynamics by minimizing the required number of samples. To minimize the reliability on high-fidelity numerical simulations in Uncertainty Quantification, a multi-fidelity strategy has been adopted. The effectiveness of the multi-fidelity deep neural network model has been validated through the approximation of benchmark functions across 1-, 32-, and 100-dimensional, encompassing both linear and nonlinear correlations. The surrogate modelling results showed that multi-fidelity deep neural network model has shown excellent approximation capabilities for the test functions and multi-fidelity deep neural network method has outperformed Co-kriging in effectiveness. In addition to that, multi-fidelity deep neural network model is utilized for the simulation of aleatory uncertainty propagation in 1-, 32-, and 100 dimensional function test, considering both uniform and Gaussian distributions for input uncertainties. The results have shown that multi-fidelity deep neural network model has efficiently predicted the probability density distributions of quantities of interest as well as the statistical moments with precision and accuracy. The Co-Kriging model has exhibited limitations when addressing 32-Dimension problems due to the limitation of memory capacity for storage and manipulation.

  • 1 authors
·
Mar 11, 2025

RAP-SR: RestorAtion Prior Enhancement in Diffusion Models for Realistic Image Super-Resolution

Benefiting from their powerful generative capabilities, pretrained diffusion models have garnered significant attention for real-world image super-resolution (Real-SR). Existing diffusion-based SR approaches typically utilize semantic information from degraded images and restoration prompts to activate prior for producing realistic high-resolution images. However, general-purpose pretrained diffusion models, not designed for restoration tasks, often have suboptimal prior, and manually defined prompts may fail to fully exploit the generated potential. To address these limitations, we introduce RAP-SR, a novel restoration prior enhancement approach in pretrained diffusion models for Real-SR. First, we develop the High-Fidelity Aesthetic Image Dataset (HFAID), curated through a Quality-Driven Aesthetic Image Selection Pipeline (QDAISP). Our dataset not only surpasses existing ones in fidelity but also excels in aesthetic quality. Second, we propose the Restoration Priors Enhancement Framework, which includes Restoration Priors Refinement (RPR) and Restoration-Oriented Prompt Optimization (ROPO) modules. RPR refines the restoration prior using the HFAID, while ROPO optimizes the unique restoration identifier, improving the quality of the resulting images. RAP-SR effectively bridges the gap between general-purpose models and the demands of Real-SR by enhancing restoration prior. Leveraging the plug-and-play nature of RAP-SR, our approach can be seamlessly integrated into existing diffusion-based SR methods, boosting their performance. Extensive experiments demonstrate its broad applicability and state-of-the-art results. Codes and datasets will be available upon acceptance.

  • 6 authors
·
Dec 9, 2024

SAMO: A Lightweight Sharpness-Aware Approach for Multi-Task Optimization with Joint Global-Local Perturbation

Multi-task learning (MTL) enables a joint model to capture commonalities across multiple tasks, reducing computation costs and improving data efficiency. However, a major challenge in MTL optimization is task conflicts, where the task gradients differ in direction or magnitude, limiting model performance compared to single-task counterparts. Sharpness-aware minimization (SAM) minimizes task loss while simultaneously reducing the sharpness of the loss landscape. Our empirical observations show that SAM effectively mitigates task conflicts in MTL. Motivated by these findings, we explore integrating SAM into MTL but face two key challenges. While both the average loss gradient and individual task gradients-referred to as global and local information-contribute to SAM, how to combine them remains unclear. Moreover, directly computing each task gradient introduces significant computational and memory overheads. To address these challenges, we propose SAMO, a lightweight Sharpness-Aware Multi-task Optimization approach, that leverages a joint global-local perturbation. The local perturbations are approximated using only forward passes and are layerwise normalized to improve efficiency. Extensive experiments on a suite of multi-task benchmarks demonstrate both the effectiveness and efficiency of our method. Code is available at https://github.com/OptMN-Lab/SAMO.

  • 3 authors
·
Jul 10, 2025

Sound propagation in realistic interactive 3D scenes with parameterized sources using deep neural operators

We address the challenge of sound propagation simulations in 3D virtual rooms with moving sources, which have applications in virtual/augmented reality, game audio, and spatial computing. Solutions to the wave equation can describe wave phenomena such as diffraction and interference. However, simulating them using conventional numerical discretization methods with hundreds of source and receiver positions is intractable, making stimulating a sound field with moving sources impractical. To overcome this limitation, we propose using deep operator networks to approximate linear wave-equation operators. This enables the rapid prediction of sound propagation in realistic 3D acoustic scenes with moving sources, achieving millisecond-scale computations. By learning a compact surrogate model, we avoid the offline calculation and storage of impulse responses for all relevant source/listener pairs. Our experiments, including various complex scene geometries, show good agreement with reference solutions, with root mean squared errors ranging from 0.02 Pa to 0.10 Pa. Notably, our method signifies a paradigm shift as no prior machine learning approach has achieved precise predictions of complete wave fields within realistic domains. We anticipate that our findings will drive further exploration of deep neural operator methods, advancing research in immersive user experiences within virtual environments.

  • 5 authors
·
Aug 9, 2023

Sliced Wasserstein Estimation with Control Variates

The sliced Wasserstein (SW) distances between two probability measures are defined as the expectation of the Wasserstein distance between two one-dimensional projections of the two measures. The randomness comes from a projecting direction that is used to project the two input measures to one dimension. Due to the intractability of the expectation, Monte Carlo integration is performed to estimate the value of the SW distance. Despite having various variants, there has been no prior work that improves the Monte Carlo estimation scheme for the SW distance in terms of controlling its variance. To bridge the literature on variance reduction and the literature on the SW distance, we propose computationally efficient control variates to reduce the variance of the empirical estimation of the SW distance. The key idea is to first find Gaussian approximations of projected one-dimensional measures, then we utilize the closed-form of the Wasserstein-2 distance between two Gaussian distributions to design the control variates. In particular, we propose using a lower bound and an upper bound of the Wasserstein-2 distance between two fitted Gaussians as two computationally efficient control variates. We empirically show that the proposed control variate estimators can help to reduce the variance considerably when comparing measures over images and point-clouds. Finally, we demonstrate the favorable performance of the proposed control variate estimators in gradient flows to interpolate between two point-clouds and in deep generative modeling on standard image datasets, such as CIFAR10 and CelebA.

  • 2 authors
·
Apr 30, 2023

Pixel-Aware Stable Diffusion for Realistic Image Super-resolution and Personalized Stylization

Realistic image super-resolution (Real-ISR) aims to reproduce perceptually realistic image details from a low-quality input. The commonly used adversarial training based Real-ISR methods often introduce unnatural visual artifacts and fail to generate realistic textures for natural scene images. The recently developed generative stable diffusion models provide a potential solution to Real-ISR with pre-learned strong image priors. However, the existing methods along this line either fail to keep faithful pixel-wise image structures or resort to extra skipped connections to reproduce details, which requires additional training in image space and limits their extension to other related tasks in latent space such as image stylization. In this work, we propose a pixel-aware stable diffusion (PASD) network to achieve robust Real-ISR as well as personalized stylization. In specific, a pixel-aware cross attention module is introduced to enable diffusion models perceiving image local structures in pixel-wise level, while a degradation removal module is used to extract degradation insensitive features to guide the diffusion process together with image high level information. By simply replacing the base diffusion model with a personalized one, our method can generate diverse stylized images without the need to collect pairwise training data. PASD can be easily integrated into existing diffusion models such as Stable Diffusion. Experiments on Real-ISR and personalized stylization demonstrate the effectiveness of our proposed approach. The source code and models can be found at https://github.com/yangxy/PASD.

  • 4 authors
·
Aug 28, 2023

Computational Long Exposure Mobile Photography

Long exposure photography produces stunning imagery, representing moving elements in a scene with motion-blur. It is generally employed in two modalities, producing either a foreground or a background blur effect. Foreground blur images are traditionally captured on a tripod-mounted camera and portray blurred moving foreground elements, such as silky water or light trails, over a perfectly sharp background landscape. Background blur images, also called panning photography, are captured while the camera is tracking a moving subject, to produce an image of a sharp subject over a background blurred by relative motion. Both techniques are notoriously challenging and require additional equipment and advanced skills. In this paper, we describe a computational burst photography system that operates in a hand-held smartphone camera app, and achieves these effects fully automatically, at the tap of the shutter button. Our approach first detects and segments the salient subject. We track the scene motion over multiple frames and align the images in order to preserve desired sharpness and to produce aesthetically pleasing motion streaks. We capture an under-exposed burst and select the subset of input frames that will produce blur trails of controlled length, regardless of scene or camera motion velocity. We predict inter-frame motion and synthesize motion-blur to fill the temporal gaps between the input frames. Finally, we composite the blurred image with the sharp regular exposure to protect the sharpness of faces or areas of the scene that are barely moving, and produce a final high resolution and high dynamic range (HDR) photograph. Our system democratizes a capability previously reserved to professionals, and makes this creative style accessible to most casual photographers. More information and supplementary material can be found on our project webpage: https://motion-mode.github.io/

  • 6 authors
·
Aug 2, 2023

Learning Video Dynamics with Predictive Differentiable Rendering

How to accurately predict a high-fidelity future world? While the visual world is inherently continuous, existing deterministic video prediction models operate in discrete pixel space and are mainly optimized with pixel-wise mean squared error (MSE), which often leads to over-smoothed predictions and a lack of fine-grained visual details. To address these limitations, we propose Predictive Differentiable Rendering (PDR), a novel end-to-end video prediction paradigm that bridges the gap between discrete and continuous representations. Inspired by recent progress in 3D reconstruction with 3D Gaussian Splatting, we introduce PredGS, a lightweight and plug-and-play adapter based on 2D Gaussian representation, which could be seamlessly integrated with existing pixel space predictors, significantly improving spatial detail preservation with negligible computational overhead. Furthermore, we develop predgsplat, a CUDA-accelerated differentiable 2D Gaussian renderer supporting arbitrary channels. Each Gaussian is defined by 5 + C learnable parameters (position, scale, rotation, and C channel amplitudes) and achieves up to 10x faster rendering than the baseline. Optimized by a combined L1 and SSIM loss, PDR overcomes the inherent blurring tendencies of MSE Loss, significantly enhancing the prediction performance. Extensive experiments on diverse real-world benchmarks, including TaxiBJ, WeatherBench, KTH, and Human3.6M, demonstrate that PDR consistently surpasses existing methods, delivering superior detail preservation, visual fidelity, and predictive accuracy.

  • 8 authors
·
Jun 29

Foundation Model-oriented Robustness: Robust Image Model Evaluation with Pretrained Models

Machine learning has demonstrated remarkable performance over finite datasets, yet whether the scores over the fixed benchmarks can sufficiently indicate the model's performance in the real world is still in discussion. In reality, an ideal robust model will probably behave similarly to the oracle (e.g., the human users), thus a good evaluation protocol is probably to evaluate the models' behaviors in comparison to the oracle. In this paper, we introduce a new robustness measurement that directly measures the image classification model's performance compared with a surrogate oracle (i.e., a foundation model). Besides, we design a simple method that can accomplish the evaluation beyond the scope of the benchmarks. Our method extends the image datasets with new samples that are sufficiently perturbed to be distinct from the ones in the original sets, but are still bounded within the same image-label structure the original test image represents, constrained by a foundation model pretrained with a large amount of samples. As a result, our new method will offer us a new way to evaluate the models' robustness performance, free of limitations of fixed benchmarks or constrained perturbations, although scoped by the power of the oracle. In addition to the evaluation results, we also leverage our generated data to understand the behaviors of the model and our new evaluation strategies.

  • 6 authors
·
Aug 21, 2023

ROOT: Rethinking Offline Optimization as Distributional Translation via Probabilistic Bridge

This paper studies the black-box optimization task which aims to find the maxima of a black-box function using a static set of its observed input-output pairs. This is often achieved via learning and optimizing a surrogate function with that offline data. Alternatively, it can also be framed as an inverse modeling task that maps a desired performance to potential input candidates that achieve it. Both approaches are constrained by the limited amount of offline data. To mitigate this limitation, we introduce a new perspective that casts offline optimization as a distributional translation task. This is formulated as learning a probabilistic bridge transforming an implicit distribution of low-value inputs (i.e., offline data) into another distribution of high-value inputs (i.e., solution candidates). Such probabilistic bridge can be learned using low- and high-value inputs sampled from synthetic functions that resemble the target function. These synthetic functions are constructed as the mean posterior of multiple Gaussian processes fitted with different parameterizations on the offline data, alleviating the data bottleneck. The proposed approach is evaluated on an extensive benchmark comprising most recent methods, demonstrating significant improvement and establishing a new state-of-the-art performance. Our code is publicly available at https://github.com/cuong-dm/ROOT.

  • 5 authors
·
Sep 19, 2025

A generalized neural tangent kernel for surrogate gradient learning

State-of-the-art neural network training methods depend on the gradient of the network function. Therefore, they cannot be applied to networks whose activation functions do not have useful derivatives, such as binary and discrete-time spiking neural networks. To overcome this problem, the activation function's derivative is commonly substituted with a surrogate derivative, giving rise to surrogate gradient learning (SGL). This method works well in practice but lacks theoretical foundation. The neural tangent kernel (NTK) has proven successful in the analysis of gradient descent. Here, we provide a generalization of the NTK, which we call the surrogate gradient NTK, that enables the analysis of SGL. First, we study a naive extension of the NTK to activation functions with jumps, demonstrating that gradient descent for such activation functions is also ill-posed in the infinite-width limit. To address this problem, we generalize the NTK to gradient descent with surrogate derivatives, i.e., SGL. We carefully define this generalization and expand the existing key theorems on the NTK with mathematical rigor. Further, we illustrate our findings with numerical experiments. Finally, we numerically compare SGL in networks with sign activation function and finite width to kernel regression with the surrogate gradient NTK; the results confirm that the surrogate gradient NTK provides a good characterization of SGL.

  • 3 authors
·
May 24, 2024

Why do Learning Rates Transfer? Reconciling Optimization and Scaling Limits for Deep Learning

Recently, there has been growing evidence that if the width and depth of a neural network are scaled toward the so-called rich feature learning limit (muP and its depth extension), then some hyperparameters - such as the learning rate - exhibit transfer from small to very large models, thus reducing the cost of hyperparameter tuning. From an optimization perspective, this phenomenon is puzzling, as it implies that the loss landscape is remarkably consistent across very different model sizes. In this work, we find empirical evidence that learning rate transfer can be attributed to the fact that under muP and its depth extension, the largest eigenvalue of the training loss Hessian (i.e. the sharpness) is largely independent of the width and depth of the network for a sustained period of training time. On the other hand, we show that under the neural tangent kernel (NTK) regime, the sharpness exhibits very different dynamics at different scales, thus preventing learning rate transfer. But what causes these differences in the sharpness dynamics? Through a connection between the spectra of the Hessian and the NTK matrix, we argue that the cause lies in the presence (for muP) or progressive absence (for the NTK regime) of feature learning, which results in a different evolution of the NTK, and thus of the sharpness. We corroborate our claims with a substantial suite of experiments, covering a wide range of datasets and architectures: from ResNets and Vision Transformers trained on benchmark vision datasets to Transformers-based language models trained on WikiText

  • 4 authors
·
Feb 27, 2024

InvSplat: Inverse Feed-Forward Scene Splatting

Inverse rendering aims to recover both 3D geometry and physically meaningful material properties from images, enabling applications such as relighting and novel view synthesis. Optimization-based methods achieve high fidelity but require costly per-scene fitting, while image-space learning-based approaches often suffer from multi-view inconsistencies and lack an explicit 3D representation for stable novel view rendering. We present a feed-forward multi-view reconstruction framework for inverse rendering that directly predicts a structured 3D Gaussian representation with intrinsic material attributes. Each Gaussian primitive is parameterized by mean, normal, opacity, rotation, scale, albedo, metallic, and roughness, enabling a disentangled and physically grounded scene representation. Our model integrates priors from a material estimation network with a multi-view 3D reconstruction backbone, allowing joint prediction of geometry and reflectance parameters in a single forward pass. Experiments on synthetic and real-world datasets demonstrate improved multi-view consistency compared to 2D baselines, accurate material recovery, and stable novel view rendering. Our representation further supports physically-based relighting and more faithful modeling of view-dependent effects compared to existing RGB-based feed-forward reconstruction methods. Our project webpage is: https://poliik.github.io/invsplat/{https://poliik.github.io/invsplat/}.

  • 5 authors
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Jul 2

PhyMRI-SR: Toward Physics-Aware MRI Image Super-Resolution

Magnetic resonance imaging (MRI) super-resolution is vital for improving diagnostic accessibility, yet most methods treat it as a deterministic mapping from a fixed low-resolution input to a high-resolution target. This overlooks a key property of MRI acquisition physics: spatial resolution and signal-to-noise ratio (SNR) are inherently coupled, making any given low-resolution scan merely one of many possible realizations under varying acquisition trade-offs. We rethink MRI super-resolution as a physics-aware reconstruction problem, in which the goal is to identify the optimal resolution-SNR configuration and then super-resolve it to obtain high-quality MRI results. A key implication of this formulation is that MRI resolution becomes dynamic rather than fixed. To handle such resolution-heterogeneous inputs, we adapt 2D Gaussian Splatting (2D GS) to MRI by formulating reconstruction as a coordinate-based, resolution-agnostic rendering problem. To further enhance fidelity, we introduce three innovations: (1) a prior-aware Gaussian representation that combines an Anatomical Structure Prior for tissue-specific kernel initialization with an Imaging System Prior that captures hardware characteristics via a covariance dictionary; (2) a physics-constrained signal modeling scheme that predicts intrinsic tissue parameters (proton density rho and effective relaxation rate R2) and synthesizes intensities through governing physical equations, ensuring biophysically plausible contrast; and (3) a meta-learning framework that alleviates paired-data scarcity by pretraining on simulated data and adapting to real-world conditions. Extensive experiments on dynamic-resolution datasets and standard benchmarks demonstrate that our method achieves state-of-the-art performance, highlighting its strong potential for clinical deployment.

Deblurring 3D Gaussian Splatting

Recent studies in Radiance Fields have paved the robust way for novel view synthesis with their photorealistic rendering quality. Nevertheless, they usually employ neural networks and volumetric rendering, which are costly to train and impede their broad use in various real-time applications due to the lengthy rendering time. Lately 3D Gaussians splatting-based approach has been proposed to model the 3D scene, and it achieves remarkable visual quality while rendering the images in real-time. However, it suffers from severe degradation in the rendering quality if the training images are blurry. Blurriness commonly occurs due to the lens defocusing, object motion, and camera shake, and it inevitably intervenes in clean image acquisition. Several previous studies have attempted to render clean and sharp images from blurry input images using neural fields. The majority of those works, however, are designed only for volumetric rendering-based neural radiance fields and are not straightforwardly applicable to rasterization-based 3D Gaussian splatting methods. Thus, we propose a novel real-time deblurring framework, deblurring 3D Gaussian Splatting, using a small Multi-Layer Perceptron (MLP) that manipulates the covariance of each 3D Gaussian to model the scene blurriness. While deblurring 3D Gaussian Splatting can still enjoy real-time rendering, it can reconstruct fine and sharp details from blurry images. A variety of experiments have been conducted on the benchmark, and the results have revealed the effectiveness of our approach for deblurring. Qualitative results are available at https://benhenryl.github.io/Deblurring-3D-Gaussian-Splatting/

  • 5 authors
·
Jan 1, 2024

Learning to Predict Structural Vibrations

In mechanical structures like airplanes, cars and houses, noise is generated and transmitted through vibrations. To take measures to reduce this noise, vibrations need to be simulated with expensive numerical computations. Deep learning surrogate models present a promising alternative to classical numerical simulations as they can be evaluated magnitudes faster, while trading-off accuracy. To quantify such trade-offs systematically and foster the development of methods, we present a benchmark on the task of predicting the vibration of harmonically excited plates. The benchmark features a total of 12,000 plate geometries with varying forms of beadings, material, boundary conditions, load position and sizes with associated numerical solutions. To address the benchmark task, we propose a new network architecture, named Frequency-Query Operator, which predicts vibration patterns of plate geometries given a specific excitation frequency. Applying principles from operator learning and implicit models for shape encoding, our approach effectively addresses the prediction of highly variable frequency response functions occurring in dynamic systems. To quantify the prediction quality, we introduce a set of evaluation metrics and evaluate the method on our vibrating-plates benchmark. Our method outperforms DeepONets, Fourier Neural Operators and more traditional neural network architectures and can be used for design optimization. Code, dataset and visualizations: https://github.com/ecker-lab/Learning_Vibrating_Plates

  • 5 authors
·
Oct 9, 2023

Sat3DGen: Comprehensive Street-Level 3D Scene Generation from Single Satellite Image

Generating a street-level 3D scene from a single satellite image is a crucial yet challenging task. Current methods present a stark trade-off: geometry-colorization models achieve high geometric fidelity but are typically building-focused and lack semantic diversity. In contrast, proxy-based models use feed-forward image-to-3D frameworks to generate holistic scenes by jointly learning geometry and texture, a process that yields rich content but coarse and unstable geometry. We attribute these geometric failures to the extreme viewpoint gap and sparse, inconsistent supervision inherent in satellite-to-street data. We introduce Sat3DGen to address these fundamental challenges, which embodies a geometry-first methodology. This methodology enhances the feed-forward paradigm by integrating novel geometric constraints with a perspective-view training strategy, explicitly countering the primary sources of geometric error. This geometry-centric strategy yields a dramatic leap in both 3D accuracy and photorealism. For validation, we first constructed a new benchmark by pairing the VIGOR-OOD test set with high-resolution DSM data. On this benchmark, our method improves geometric RMSE from 6.76m to 5.20m. Crucially, this geometric leap also boosts photorealism, reducing the Fréchet Inception Distance (FID) from sim40 to 19 against the leading method, Sat2Density++, despite using no extra tailored image-quality modules. We demonstrate the versatility of our high-quality 3D assets through diverse downstream applications, including semantic-map-to-3D synthesis, multi-camera video generation, large-scale meshing, and unsupervised single-image Digital Surface Model (DSM) estimation. The code has been released on https://github.com/qianmingduowan/Sat3DGen.