Daily Papers

In this paper, we present a novel generative task: joint scene graph - image generation. While previous works have explored image generation conditioned on scene graphs or layouts, our task is distinctive and important as it involves generating scene graphs themselves unconditionally from noise, enabling efficient and interpretable control for image generation. Our task is challenging, requiring the generation of plausible scene graphs with heterogeneous attributes for nodes (objects) and edges (relations among objects), including continuous object bounding boxes and discrete object and relation categories. We introduce a novel diffusion model, DiffuseSG, that jointly models the adjacency matrix along with heterogeneous node and edge attributes. We explore various types of encodings for the categorical data, relaxing it into a continuous space. With a graph transformer being the denoiser, DiffuseSG successively denoises the scene graph representation in a continuous space and discretizes the final representation to generate the clean scene graph. Additionally, we introduce an IoU regularization to enhance the empirical performance. Our model significantly outperforms existing methods in scene graph generation on the Visual Genome and COCO-Stuff datasets, both on standard and newly introduced metrics that better capture the problem complexity. Moreover, we demonstrate the additional benefits of our model in two downstream applications: 1) excelling in a series of scene graph completion tasks, and 2) improving scene graph detection models by using extra training samples generated from DiffuseSG.

Bounding box regression is the crucial step in object detection. In existing methods, while ell_n-norm loss is widely adopted for bounding box regression, it is not tailored to the evaluation metric, i.e., Intersection over Union (IoU). Recently, IoU loss and generalized IoU (GIoU) loss have been proposed to benefit the IoU metric, but still suffer from the problems of slow convergence and inaccurate regression. In this paper, we propose a Distance-IoU (DIoU) loss by incorporating the normalized distance between the predicted box and the target box, which converges much faster in training than IoU and GIoU losses. Furthermore, this paper summarizes three geometric factors in bounding box regression, \ie, overlap area, central point distance and aspect ratio, based on which a Complete IoU (CIoU) loss is proposed, thereby leading to faster convergence and better performance. By incorporating DIoU and CIoU losses into state-of-the-art object detection algorithms, e.g., YOLO v3, SSD and Faster RCNN, we achieve notable performance gains in terms of not only IoU metric but also GIoU metric. Moreover, DIoU can be easily adopted into non-maximum suppression (NMS) to act as the criterion, further boosting performance improvement. The source code and trained models are available at https://github.com/Zzh-tju/DIoU.

Intersection over Union (IoU) is the most popular evaluation metric used in the object detection benchmarks. However, there is a gap between optimizing the commonly used distance losses for regressing the parameters of a bounding box and maximizing this metric value. The optimal objective for a metric is the metric itself. In the case of axis-aligned 2D bounding boxes, it can be shown that IoU can be directly used as a regression loss. However, IoU has a plateau making it infeasible to optimize in the case of non-overlapping bounding boxes. In this paper, we address the weaknesses of IoU by introducing a generalized version as both a new loss and a new metric. By incorporating this generalized IoU (GIoU) as a loss into the state-of-the art object detection frameworks, we show a consistent improvement on their performance using both the standard, IoU based, and new, GIoU based, performance measures on popular object detection benchmarks such as PASCAL VOC and MS COCO.

IoU losses are surrogates that directly optimize the Jaccard index. In semantic segmentation, leveraging IoU losses as part of the loss function is shown to perform better with respect to the Jaccard index measure than optimizing pixel-wise losses such as the cross-entropy loss alone. The most notable IoU losses are the soft Jaccard loss and the Lovasz-Softmax loss. However, these losses are incompatible with soft labels which are ubiquitous in machine learning. In this paper, we propose Jaccard metric losses (JMLs), which are identical to the soft Jaccard loss in a standard setting with hard labels, but are compatible with soft labels. With JMLs, we study two of the most popular use cases of soft labels: label smoothing and knowledge distillation. With a variety of architectures, our experiments show significant improvements over the cross-entropy loss on three semantic segmentation datasets (Cityscapes, PASCAL VOC and DeepGlobe Land), and our simple approach outperforms state-of-the-art knowledge distillation methods by a large margin. Code is available at: https://github.com/zifuwanggg/JDTLosses{https://github.com/zifuwanggg/JDTLosses}.

In object detection, an intersection over union (IoU) threshold is required to define positives and negatives. An object detector, trained with low IoU threshold, e.g. 0.5, usually produces noisy detections. However, detection performance tends to degrade with increasing the IoU thresholds. Two main factors are responsible for this: 1) overfitting during training, due to exponentially vanishing positive samples, and 2) inference-time mismatch between the IoUs for which the detector is optimal and those of the input hypotheses. A multi-stage object detection architecture, the Cascade R-CNN, is proposed to address these problems. It consists of a sequence of detectors trained with increasing IoU thresholds, to be sequentially more selective against close false positives. The detectors are trained stage by stage, leveraging the observation that the output of a detector is a good distribution for training the next higher quality detector. The resampling of progressively improved hypotheses guarantees that all detectors have a positive set of examples of equivalent size, reducing the overfitting problem. The same cascade procedure is applied at inference, enabling a closer match between the hypotheses and the detector quality of each stage. A simple implementation of the Cascade R-CNN is shown to surpass all single-model object detectors on the challenging COCO dataset. Experiments also show that the Cascade R-CNN is widely applicable across detector architectures, achieving consistent gains independently of the baseline detector strength. The code will be made available at https://github.com/zhaoweicai/cascade-rcnn.

Optimal Transport is a useful metric to compare probability distributions and to compute a pairing given a ground cost. Its entropic regularization variant (eOT) is crucial to have fast algorithms and reflect fuzzy/noisy matchings. This work focuses on Inverse Optimal Transport (iOT), the problem of inferring the ground cost from samples drawn from a coupling that solves an eOT problem. It is a relevant problem that can be used to infer unobserved/missing links, and to obtain meaningful information about the structure of the ground cost yielding the pairing. On one side, iOT benefits from convexity, but on the other side, being ill-posed, it requires regularization to handle the sampling noise. This work presents an in-depth theoretical study of the l1 regularization to model for instance Euclidean costs with sparse interactions between features. Specifically, we derive a sufficient condition for the robust recovery of the sparsity of the ground cost that can be seen as a far reaching generalization of the Lasso's celebrated Irrepresentability Condition. To provide additional insight into this condition, we work out in detail the Gaussian case. We show that as the entropic penalty varies, the iOT problem interpolates between a graphical Lasso and a classical Lasso, thereby establishing a connection between iOT and graph estimation, an important problem in ML.

Integrated Gradients (IG) as well as its variants are well-known techniques for interpreting the decisions of deep neural networks. While IG-based approaches attain state-of-the-art performance, they often integrate noise into their explanation saliency maps, which reduce their interpretability. To minimize the noise, we examine the source of the noise analytically and propose a new approach to reduce the explanation noise based on our analytical findings. We propose the Important Direction Gradient Integration (IDGI) framework, which can be easily incorporated into any IG-based method that uses the Reimann Integration for integrated gradient computation. Extensive experiments with three IG-based methods show that IDGI improves them drastically on numerous interpretability metrics.

Out-of-distribution (OOD) generalization is a critical ability for deep learning models in many real-world scenarios including healthcare and autonomous vehicles. Recently, different techniques have been proposed to improve OOD generalization. Among these methods, gradient-based regularizers have shown promising performance compared with other competitors. Despite this success, our understanding of the role of Hessian and gradient alignment in domain generalization is still limited. To address this shortcoming, we analyze the role of the classifier's head Hessian matrix and gradient in domain generalization using recent OOD theory of transferability. Theoretically, we show that spectral norm between the classifier's head Hessian matrices across domains is an upper bound of the transfer measure, a notion of distance between target and source domains. Furthermore, we analyze all the attributes that get aligned when we encourage similarity between Hessians and gradients. Our analysis explains the success of many regularizers like CORAL, IRM, V-REx, Fish, IGA, and Fishr as they regularize part of the classifier's head Hessian and/or gradient. Finally, we propose two simple yet effective methods to match the classifier's head Hessians and gradients in an efficient way, based on the Hessian Gradient Product (HGP) and Hutchinson's method (Hutchinson), and without directly calculating Hessians. We validate the OOD generalization ability of proposed methods in different scenarios, including transferability, severe correlation shift, label shift and diversity shift. Our results show that Hessian alignment methods achieve promising performance on various OOD benchmarks. The code is available at https://github.com/huawei-noah/Federated-Learning/tree/main/HessianAlignment.

We develop a novel theoretical framework for understating OT schemes respecting a class structure. For this purpose, we propose a convex OT program with a sum-of-norms regularization term, which provably recovers the underlying class structure under geometric assumptions. Furthermore, we derive an accelerated proximal algorithm with a closed-form projection and proximal operator scheme, thereby affording a more scalable algorithm for computing optimal transport plans. We provide a novel argument for the uniqueness of the optimum even in the absence of strong convexity. Our experiments show that the new regularizer not only results in a better preservation of the class structure in the data but also yields additional robustness to the data geometry, compared to previous regularizers.

In this paper, we propose to use the general L^2-based Sobolev norms, i.e., H^s norms where sin R, to measure the data discrepancy due to noise in image processing tasks that are formulated as optimization problems. As opposed to a popular trend of developing regularization methods, we emphasize that an implicit regularization effect can be achieved through the class of Sobolev norms as the data-fitting term. Specifically, we analyze that the implicit regularization comes from the weights that the H^s norm imposes on different frequency contents of an underlying image. We further analyze the underlying noise assumption of using the Sobolev norm as the data-fitting term from a Bayesian perspective, build the connections with the Sobolev gradient-based methods and discuss the preconditioning effects on the convergence rate of the gradient descent algorithm, leading to a better understanding of functional spaces/metrics and the optimization process involved in image processing. Numerical results in full waveform inversion, image denoising and deblurring demonstrate the implicit regularization effects.

Disentangling model activations into meaningful features is a central problem in interpretability. However, the absence of ground-truth for these features in realistic scenarios makes validating recent approaches, such as sparse dictionary learning, elusive. To address this challenge, we propose a framework for evaluating feature dictionaries in the context of specific tasks, by comparing them against supervised feature dictionaries. First, we demonstrate that supervised dictionaries achieve excellent approximation, control, and interpretability of model computations on the task. Second, we use the supervised dictionaries to develop and contextualize evaluations of unsupervised dictionaries along the same three axes. We apply this framework to the indirect object identification (IOI) task using GPT-2 Small, with sparse autoencoders (SAEs) trained on either the IOI or OpenWebText datasets. We find that these SAEs capture interpretable features for the IOI task, but they are less successful than supervised features in controlling the model. Finally, we observe two qualitative phenomena in SAE training: feature occlusion (where a causally relevant concept is robustly overshadowed by even slightly higher-magnitude ones in the learned features), and feature over-splitting (where binary features split into many smaller, less interpretable features). We hope that our framework will provide a useful step towards more objective and grounded evaluations of sparse dictionary learning methods.

The detection of small infrared targets against blurred and cluttered backgrounds has remained an enduring challenge. In recent years, learning-based schemes have become the mainstream methodology to establish the mapping directly. However, these methods are susceptible to the inherent complexities of changing backgrounds and real-world disturbances, leading to unreliable and compromised target estimations. In this work, we propose a bi-level adversarial framework to promote the robustness of detection in the presence of distinct corruptions. We first propose a bi-level optimization formulation to introduce dynamic adversarial learning. Specifically, it is composited by the learnable generation of corruptions to maximize the losses as the lower-level objective and the robustness promotion of detectors as the upper-level one. We also provide a hierarchical reinforced learning strategy to discover the most detrimental corruptions and balance the performance between robustness and accuracy. To better disentangle the corruptions from salient features, we also propose a spatial-frequency interaction network for target detection. Extensive experiments demonstrate our scheme remarkably improves 21.96% IOU across a wide array of corruptions and notably promotes 4.97% IOU on the general benchmark. The source codes are available at https://github.com/LiuZhu-CV/BALISTD.

The information bottleneck (IB) approach is popular to improve the generalization, robustness and explainability of deep neural networks. Essentially, it aims to find a minimum sufficient representation t by striking a trade-off between a compression term I(x;t) and a prediction term I(y;t), where I(cdot;cdot) refers to the mutual information (MI). MI is for the IB for the most part expressed in terms of the Kullback-Leibler (KL) divergence, which in the regression case corresponds to prediction based on mean squared error (MSE) loss with Gaussian assumption and compression approximated by variational inference. In this paper, we study the IB principle for the regression problem and develop a new way to parameterize the IB with deep neural networks by exploiting favorable properties of the Cauchy-Schwarz (CS) divergence. By doing so, we move away from MSE-based regression and ease estimation by avoiding variational approximations or distributional assumptions. We investigate the improved generalization ability of our proposed CS-IB and demonstrate strong adversarial robustness guarantees. We demonstrate its superior performance on six real-world regression tasks over other popular deep IB approaches. We additionally observe that the solutions discovered by CS-IB always achieve the best trade-off between prediction accuracy and compression ratio in the information plane. The code is available at https://github.com/SJYuCNEL/Cauchy-Schwarz-Information-Bottleneck.

Reconstructing 3D shapes from planar cross-sections is a challenge inspired by downstream applications like medical imaging and geographic informatics. The input is an in/out indicator function fully defined on a sparse collection of planes in space, and the output is an interpolation of the indicator function to the entire volume. Previous works addressing this sparse and ill-posed problem either produce low quality results, or rely on additional priors such as target topology, appearance information, or input normal directions. In this paper, we present OReX, a method for 3D shape reconstruction from slices alone, featuring a Neural Field as the interpolation prior. A modest neural network is trained on the input planes to return an inside/outside estimate for a given 3D coordinate, yielding a powerful prior that induces smoothness and self-similarities. The main challenge for this approach is high-frequency details, as the neural prior is overly smoothing. To alleviate this, we offer an iterative estimation architecture and a hierarchical input sampling scheme that encourage coarse-to-fine training, allowing the training process to focus on high frequencies at later stages. In addition, we identify and analyze a ripple-like effect stemming from the mesh extraction step. We mitigate it by regularizing the spatial gradients of the indicator function around input in/out boundaries during network training, tackling the problem at the root. Through extensive qualitative and quantitative experimentation, we demonstrate our method is robust, accurate, and scales well with the size of the input. We report state-of-the-art results compared to previous approaches and recent potential solutions, and demonstrate the benefit of our individual contributions through analysis and ablation studies.

This paper offers a new perspective to ease the challenge of domain generalization, which involves maintaining robust results even in unseen environments. Our design focuses on the decision-making process in the final classifier layer. Specifically, we propose treating the element-wise contributions to the final results as the rationale for making a decision and representing the rationale for each sample as a matrix. For a well-generalized model, we suggest the rationale matrices for samples belonging to the same category should be similar, indicating the model relies on domain-invariant clues to make decisions, thereby ensuring robust results. To implement this idea, we introduce a rationale invariance loss as a simple regularization technique, requiring only a few lines of code. Our experiments demonstrate that the proposed approach achieves competitive results across various datasets, despite its simplicity. Code is available at https://github.com/liangchen527/RIDG.

Loss of plasticity is a phenomenon where neural networks become more difficult to train during the course of learning. Continual learning algorithms seek to mitigate this effect by sustaining good predictive performance while maintaining network trainability. We develop new techniques for improving continual learning by first reconsidering how initialization can ensure trainability during early phases of learning. From this perspective, we derive new regularization strategies for continual learning that ensure beneficial initialization properties are better maintained throughout training. In particular, we investigate two new regularization techniques for continual learning: (i) Wasserstein regularization toward the initial weight distribution, which is less restrictive than regularizing toward initial weights; and (ii) regularizing weight matrix singular values, which directly ensures gradient diversity is maintained throughout training. We present an experimental analysis that shows these alternative regularizers can improve continual learning performance across a range of supervised learning tasks and model architectures. The alternative regularizers prove to be less sensitive to hyperparameters while demonstrating better training in individual tasks, sustaining trainability as new tasks arrive, and achieving better generalization performance.

Neural networks can approximate complex functions, but they struggle to perform exact arithmetic operations over real numbers. The lack of inductive bias for arithmetic operations leaves neural networks without the underlying logic necessary to extrapolate on tasks such as addition, subtraction, and multiplication. We present two new neural network components: the Neural Addition Unit (NAU), which can learn exact addition and subtraction; and the Neural Multiplication Unit (NMU) that can multiply subsets of a vector. The NMU is, to our knowledge, the first arithmetic neural network component that can learn to multiply elements from a vector, when the hidden size is large. The two new components draw inspiration from a theoretical analysis of recently proposed arithmetic components. We find that careful initialization, restricting parameter space, and regularizing for sparsity is important when optimizing the NAU and NMU. Our proposed units NAU and NMU, compared with previous neural units, converge more consistently, have fewer parameters, learn faster, can converge for larger hidden sizes, obtain sparse and meaningful weights, and can extrapolate to negative and small values.

A large class of inverse problems for PDEs are only well-defined as mappings from operators to functions. Existing operator learning frameworks map functions to functions and need to be modified to learn inverse maps from data. We propose a novel architecture termed Neural Inverse Operators (NIOs) to solve these PDE inverse problems. Motivated by the underlying mathematical structure, NIO is based on a suitable composition of DeepONets and FNOs to approximate mappings from operators to functions. A variety of experiments are presented to demonstrate that NIOs significantly outperform baselines and solve PDE inverse problems robustly, accurately and are several orders of magnitude faster than existing direct and PDE-constrained optimization methods.

Imposing orthogonality on the layers of neural networks is known to facilitate the learning by limiting the exploding/vanishing of the gradient; decorrelate the features; improve the robustness. This paper studies the theoretical properties of orthogonal convolutional layers.We establish necessary and sufficient conditions on the layer architecture guaranteeing the existence of an orthogonal convolutional transform. The conditions prove that orthogonal convolutional transforms exist for almost all architectures used in practice for 'circular' padding.We also exhibit limitations with 'valid' boundary conditions and 'same' boundary conditions with zero-padding.Recently, a regularization term imposing the orthogonality of convolutional layers has been proposed, and impressive empirical results have been obtained in different applications (Wang et al. 2020).The second motivation of the present paper is to specify the theory behind this.We make the link between this regularization term and orthogonality measures. In doing so, we show that this regularization strategy is stable with respect to numerical and optimization errors and that, in the presence of small errors and when the size of the signal/image is large, the convolutional layers remain close to isometric.The theoretical results are confirmed with experiments and the landscape of the regularization term is studied. Experiments on real data sets show that when orthogonality is used to enforce robustness, the parameter multiplying the regularization termcan be used to tune a tradeoff between accuracy and orthogonality, for the benefit of both accuracy and robustness.Altogether, the study guarantees that the regularization proposed in Wang et al. (2020) is an efficient, flexible and stable numerical strategy to learn orthogonal convolutional layers.

As robustness verification methods are becoming more precise, training certifiably robust neural networks is becoming ever more relevant. To this end, certified training methods compute and then optimize an upper bound on the worst-case loss over a robustness specification. Curiously, training methods based on the imprecise interval bound propagation (IBP) consistently outperform those leveraging more precise bounding methods. Still, we lack an understanding of the mechanisms making IBP so successful. In this work, we thoroughly investigate these mechanisms by leveraging a novel metric measuring the tightness of IBP bounds. We first show theoretically that, for deep linear models, tightness decreases with width and depth at initialization, but improves with IBP training, given sufficient network width. We, then, derive sufficient and necessary conditions on weight matrices for IBP bounds to become exact and demonstrate that these impose strong regularization, explaining the empirically observed trade-off between robustness and accuracy in certified training. Our extensive experimental evaluation validates our theoretical predictions for ReLU networks, including that wider networks improve performance, yielding state-of-the-art results. Interestingly, we observe that while all IBP-based training methods lead to high tightness, this is neither sufficient nor necessary to achieve high certifiable robustness. This hints at the existence of new training methods that do not induce the strong regularization required for tight IBP bounds, leading to improved robustness and standard accuracy.

Abstract Modern image generation (IG) models have been shown to capture rich semantics valuable for image understanding (IU) tasks. However, the potential of IU models to improve IG performance remains uncharted. We address this issue using a token-based IG framework, which relies on effective tokenizers to project images into token sequences. Currently, pixel reconstruction (e.g., VQGAN) dominates the training objective for image tokenizers. In contrast, our approach adopts the feature reconstruction objective, where tokenizers are trained by distilling knowledge from pretrained IU encoders. Comprehensive comparisons indicate that tokenizers with strong IU capabilities achieve superior IG performance across a variety of metrics, datasets, tasks, and proposal networks. Notably, VQ-KD CLIP achieves 4.10 FID on ImageNet-1k (IN-1k). Visualization suggests that the superiority of VQ-KD can be partly attributed to the rich semantics within the VQ-KD codebook. We further introduce a straightforward pipeline to directly transform IU encoders into tokenizers, demonstrating exceptional effectiveness for IG tasks. These discoveries may energize further exploration into image tokenizer research and inspire the community to reassess the relationship between IU and IG. The code is released at https://github.com/magic-research/vector_quantization.

Recent advances in vision-language models like Stable Diffusion have shown remarkable power in creative image synthesis and editing.However, most existing text-to-image editing methods encounter two obstacles: First, the text prompt needs to be carefully crafted to achieve good results, which is not intuitive or user-friendly. Second, they are insensitive to local edits and can irreversibly affect non-edited regions, leaving obvious editing traces. To tackle these problems, we propose a Zero-shot instructiON-guided local image Editing approach, termed ZONE. We first convert the editing intent from the user-provided instruction (e.g., "make his tie blue") into specific image editing regions through InstructPix2Pix. We then propose a Region-IoU scheme for precise image layer extraction from an off-the-shelf segment model. We further develop an edge smoother based on FFT for seamless blending between the layer and the image.Our method allows for arbitrary manipulation of a specific region with a single instruction while preserving the rest. Extensive experiments demonstrate that our ZONE achieves remarkable local editing results and user-friendliness, outperforming state-of-the-art methods. Code is available at https://github.com/lsl001006/ZONE.

In this paper, we present UNet++, a new, more powerful architecture for medical image segmentation. Our architecture is essentially a deeply-supervised encoder-decoder network where the encoder and decoder sub-networks are connected through a series of nested, dense skip pathways. The re-designed skip pathways aim at reducing the semantic gap between the feature maps of the encoder and decoder sub-networks. We argue that the optimizer would deal with an easier learning task when the feature maps from the decoder and encoder networks are semantically similar. We have evaluated UNet++ in comparison with U-Net and wide U-Net architectures across multiple medical image segmentation tasks: nodule segmentation in the low-dose CT scans of chest, nuclei segmentation in the microscopy images, liver segmentation in abdominal CT scans, and polyp segmentation in colonoscopy videos. Our experiments demonstrate that UNet++ with deep supervision achieves an average IoU gain of 3.9 and 3.4 points over U-Net and wide U-Net, respectively.

Deep neural networks exploiting millions of parameters are nowadays the norm in deep learning applications. This is a potential issue because of the great amount of computational resources needed for training, and of the possible loss of generalization performance of overparametrized networks. We propose in this paper a method for learning sparse neural topologies via a regularization technique which identifies non relevant weights and selectively shrinks their norm, while performing a classic update for relevant ones. This technique, which is an improvement of classical weight decay, is based on the definition of a regularization term which can be added to any loss functional regardless of its form, resulting in a unified general framework exploitable in many different contexts. The actual elimination of parameters identified as irrelevant is handled by an iterative pruning algorithm. We tested the proposed technique on different image classification and Natural language generation tasks, obtaining results on par or better then competitors in terms of sparsity and metrics, while achieving strong models compression.

When training large flexible models, practitioners often rely on grid search to select hyperparameters that control over-fitting. This grid search has several disadvantages: the search is computationally expensive, requires carving out a validation set that reduces the available data for training, and requires users to specify candidate values. In this paper, we propose an alternative: directly learning regularization hyperparameters on the full training set via the evidence lower bound ("ELBo") objective from variational methods. For deep neural networks with millions of parameters, we recommend a modified ELBo that upweights the influence of the data likelihood relative to the prior. Our proposed technique overcomes all three disadvantages of grid search. In a case study on transfer learning of image classifiers, we show how our method reduces the 88+ hour grid search of past work to under 3 hours while delivering comparable accuracy. We further demonstrate how our approach enables efficient yet accurate approximations of Gaussian processes with learnable length-scale kernels.

Linear transformation of the inputs alters the training performance of feed-forward networks that are otherwise equivalent. However, most linear transforms are viewed as a pre-processing operation separate from the actual training. Starting from equivalent networks, it is shown that pre-processing inputs using linear transformation are equivalent to multiplying the negative gradient matrix with an autocorrelation matrix per training iteration. Second order method is proposed to find the autocorrelation matrix that maximizes learning in a given iteration. When the autocorrelation matrix is diagonal, the method optimizes input gains. This optimal input gain (OIG) approach is used to improve two first-order two-stage training algorithms, namely back-propagation (BP) and hidden weight optimization (HWO), which alternately update the input weights and solve linear equations for output weights. Results show that the proposed OIG approach greatly enhances the performance of the first-order algorithms, often allowing them to rival the popular Levenberg-Marquardt approach with far less computation. It is shown that HWO is equivalent to BP with Whitening transformation applied to the inputs. HWO effectively combines Whitening transformation with learning. Thus, OIG improved HWO could be a significant building block to more complex deep learning architectures.

Regularized optimal transport (OT) is now increasingly used as a loss or as a matching layer in neural networks. Entropy-regularized OT can be computed using the Sinkhorn algorithm but it leads to fully-dense transportation plans, meaning that all sources are (fractionally) matched with all targets. To address this issue, several works have investigated quadratic regularization instead. This regularization preserves sparsity and leads to unconstrained and smooth (semi) dual objectives, that can be solved with off-the-shelf gradient methods. Unfortunately, quadratic regularization does not give direct control over the cardinality (number of nonzeros) of the transportation plan. We propose in this paper a new approach for OT with explicit cardinality constraints on the transportation plan. Our work is motivated by an application to sparse mixture of experts, where OT can be used to match input tokens such as image patches with expert models such as neural networks. Cardinality constraints ensure that at most k tokens are matched with an expert, which is crucial for computational performance reasons. Despite the nonconvexity of cardinality constraints, we show that the corresponding (semi) dual problems are tractable and can be solved with first-order gradient methods. Our method can be thought as a middle ground between unregularized OT (recovered in the limit case k=1) and quadratically-regularized OT (recovered when k is large enough). The smoothness of the objectives increases as k increases, giving rise to a trade-off between convergence speed and sparsity of the optimal plan.

Learning spatial-temporal correspondences in cardiac motion from images is important for understanding the underlying dynamics of cardiac anatomical structures. Many methods explicitly impose smoothness constraints such as the L_2 norm on the displacement vector field (DVF), while usually ignoring biomechanical feasibility in the transformation. Other geometric constraints either regularize specific regions of interest such as imposing incompressibility on the myocardium or introduce additional steps such as training a separate network-based regularizer on physically simulated datasets. In this work, we propose an explicit biomechanics-informed prior as regularization on the predicted DVF in modeling a more generic biomechanically plausible transformation within all cardiac structures without introducing additional training complexity. We validate our methods on two publicly available datasets in the context of 2D MRI data and perform extensive experiments to illustrate the effectiveness and robustness of our proposed methods compared to other competing regularization schemes. Our proposed methods better preserve biomechanical properties by visual assessment and show advantages in segmentation performance using quantitative evaluation metrics. The code is publicly available at https://github.com/Voldemort108X/bioinformed_reg.

Zero-shot learning models achieve remarkable results on image classification for samples from classes that were not seen during training. However, such models must be trained from scratch with specialised methods: therefore, access to a training dataset is required when the need for zero-shot classification arises. In this paper, we aim to equip pre-trained models with zero-shot classification capabilities without the use of image data. We achieve this with our proposed Image-free Classifier Injection with Semantics (ICIS) that injects classifiers for new, unseen classes into pre-trained classification models in a post-hoc fashion without relying on image data. Instead, the existing classifier weights and simple class-wise descriptors, such as class names or attributes, are used. ICIS has two encoder-decoder networks that learn to reconstruct classifier weights from descriptors (and vice versa), exploiting (cross-)reconstruction and cosine losses to regularise the decoding process. Notably, ICIS can be cheaply trained and applied directly on top of pre-trained classification models. Experiments on benchmark ZSL datasets show that ICIS produces unseen classifier weights that achieve strong (generalised) zero-shot classification performance. Code is available at https://github.com/ExplainableML/ImageFreeZSL .

Smoothness and low dimensional structures play central roles in improving generalization and stability in learning and statistics. This work combines techniques from semi-infinite constrained learning and manifold regularization to learn representations that are globally smooth on a manifold. To do so, it shows that under typical conditions the problem of learning a Lipschitz continuous function on a manifold is equivalent to a dynamically weighted manifold regularization problem. This observation leads to a practical algorithm based on a weighted Laplacian penalty whose weights are adapted using stochastic gradient techniques. It is shown that under mild conditions, this method estimates the Lipschitz constant of the solution, learning a globally smooth solution as a byproduct. Experiments on real world data illustrate the advantages of the proposed method relative to existing alternatives.

Diffusion inversion is the problem of taking an image and a text prompt that describes it and finding a noise latent that would generate the image. Most current inversion techniques operate by approximately solving an implicit equation and may converge slowly or yield poor reconstructed images. Here, we formulate the problem as finding the roots of an implicit equation and design a method to solve it efficiently. Our solution is based on Newton-Raphson (NR), a well-known technique in numerical analysis. A naive application of NR may be computationally infeasible and tends to converge to incorrect solutions. We describe an efficient regularized formulation that converges quickly to a solution that provides high-quality reconstructions. We also identify a source of inconsistency stemming from prompt conditioning during the inversion process, which significantly degrades the inversion quality. To address this, we introduce a prompt-aware adjustment of the encoding, effectively correcting this issue. Our solution, Regularized Newton-Raphson Inversion, inverts an image within 0.5 sec for latent consistency models, opening the door for interactive image editing. We further demonstrate improved results in image interpolation and generation of rare objects.

Sparse Autoencoders (SAEs) have shown promise in improving the interpretability of neural network activations, but can learn features that are not features of the input, limiting their effectiveness. We propose Mutual Feature Regularization (MFR), a regularization technique for improving feature learning by encouraging SAEs trained in parallel to learn similar features. We motivate MFR by showing that features learned by multiple SAEs are more likely to correlate with features of the input. By training on synthetic data with known features of the input, we show that MFR can help SAEs learn those features, as we can directly compare the features learned by the SAE with the input features for the synthetic data. We then scale MFR to SAEs that are trained to denoise electroencephalography (EEG) data and SAEs that are trained to reconstruct GPT-2 Small activations. We show that MFR can improve the reconstruction loss of SAEs by up to 21.21\% on GPT-2 Small, and 6.67\% on EEG data. Our results suggest that the similarity between features learned by different SAEs can be leveraged to improve SAE training, thereby enhancing performance and the usefulness of SAEs for model interpretability.

We propose a new class of online learning algorithms, generalized implicit Follow-The-Regularized-Leader (FTRL), that expands the scope of FTRL framework. Generalized implicit FTRL can recover known algorithms, as FTRL with linearized losses and implicit FTRL, and it allows the design of new update rules, as extensions of aProx and Mirror-Prox to FTRL. Our theory is constructive in the sense that it provides a simple unifying framework to design updates that directly improve the worst-case upper bound on the regret. The key idea is substituting the linearization of the losses with a Fenchel-Young inequality. We show the flexibility of the framework by proving that some known algorithms, like the Mirror-Prox updates, are instantiations of the generalized implicit FTRL. Finally, the new framework allows us to recover the temporal variation bound of implicit OMD, with the same computational complexity.

Catastrophic overfitting (CO) in single-step adversarial training (AT) results in abrupt drops in the adversarial test accuracy (even down to 0%). For models trained with multi-step AT, it has been observed that the loss function behaves locally linearly with respect to the input, this is however lost in single-step AT. To address CO in single-step AT, several methods have been proposed to enforce local linearity of the loss via regularization. However, these regularization terms considerably slow down training due to Double Backpropagation. Instead, in this work, we introduce a regularization term, called ELLE, to mitigate CO effectively and efficiently in classical AT evaluations, as well as some more difficult regimes, e.g., large adversarial perturbations and long training schedules. Our regularization term can be theoretically linked to curvature of the loss function and is computationally cheaper than previous methods by avoiding Double Backpropagation. Our thorough experimental validation demonstrates that our work does not suffer from CO, even in challenging settings where previous works suffer from it. We also notice that adapting our regularization parameter during training (ELLE-A) greatly improves the performance, specially in large epsilon setups. Our implementation is available in https://github.com/LIONS-EPFL/ELLE .

We propose an algorithm for inexpensive gradient-based hyperparameter optimization that combines the implicit function theorem (IFT) with efficient inverse Hessian approximations. We present results about the relationship between the IFT and differentiating through optimization, motivating our algorithm. We use the proposed approach to train modern network architectures with millions of weights and millions of hyper-parameters. For example, we learn a data-augmentation network - where every weight is a hyperparameter tuned for validation performance - outputting augmented training examples. Jointly tuning weights and hyperparameters with our approach is only a few times more costly in memory and compute than standard training.

Convolutional neural network training can suffer from diverse issues like exploding or vanishing gradients, scaling-based weight space symmetry and covariant-shift. In order to address these issues, researchers develop weight regularization methods and activation normalization methods. In this work we propose a weight soft-regularization method based on the Oblique manifold. The proposed method uses a loss function which pushes each weight vector to have a norm close to one, i.e. the weight matrix is smoothly steered toward the so-called Oblique manifold. We evaluate our method on the very popular CIFAR-10, CIFAR-100 and ImageNet 2012 datasets using two state-of-the-art architectures, namely the ResNet and wide-ResNet. Our method introduces negligible computational overhead and the results show that it is competitive to the state-of-the-art and in some cases superior to it. Additionally, the results are less sensitive to hyperparameter settings such as batch size and regularization factor.

Democratization of machine learning requires architectures that automatically adapt to new problems. Neural Differential Equations (NDEs) have emerged as a popular modeling framework by removing the need for ML practitioners to choose the number of layers in a recurrent model. While we can control the computational cost by choosing the number of layers in standard architectures, in NDEs the number of neural network evaluations for a forward pass can depend on the number of steps of the adaptive ODE solver. But, can we force the NDE to learn the version with the least steps while not increasing the training cost? Current strategies to overcome slow prediction require high order automatic differentiation, leading to significantly higher training time. We describe a novel regularization method that uses the internal cost heuristics of adaptive differential equation solvers combined with discrete adjoint sensitivities to guide the training process towards learning NDEs that are easier to solve. This approach opens up the blackbox numerical analysis behind the differential equation solver's algorithm and directly uses its local error estimates and stiffness heuristics as cheap and accurate cost estimates. We incorporate our method without any change in the underlying NDE framework and show that our method extends beyond Ordinary Differential Equations to accommodate Neural Stochastic Differential Equations. We demonstrate how our approach can halve the prediction time and, unlike other methods which can increase the training time by an order of magnitude, we demonstrate similar reduction in training times. Together this showcases how the knowledge embedded within state-of-the-art equation solvers can be used to enhance machine learning.

In deep learning, often the training process finds an interpolator (a solution with 0 training loss), but the test loss is still low. This phenomenon, known as benign overfitting, is a major mystery that received a lot of recent attention. One common mechanism for benign overfitting is implicit regularization, where the training process leads to additional properties for the interpolator, often characterized by minimizing certain norms. However, even for a simple sparse linear regression problem y = beta^{*top} x +xi with sparse beta^*, neither minimum ell_1 or ell_2 norm interpolator gives the optimal test loss. In this work, we give a different parametrization of the model which leads to a new implicit regularization effect that combines the benefit of ell_1 and ell_2 interpolators. We show that training our new model via gradient descent leads to an interpolator with near-optimal test loss. Our result is based on careful analysis of the training dynamics and provides another example of implicit regularization effect that goes beyond norm minimization.

Deep learning classifiers face significant challenges when dealing with heterogeneous multi-modal and multi-organ biomedical datasets. The low-level feature distinguishability limited to imaging-modality hinders the classifiers' ability to learn high-level semantic relationships, resulting in sub-optimal performance. To address this issue, image augmentation strategies are employed as regularization techniques. While additive noise input during network training is a well-established augmentation as regularization method, modern pipelines often favor more robust techniques such as dropout and weight decay. This preference stems from the observation that combining these established techniques with noise input can adversely affect model performance. In this study, we propose a novel pretraining pipeline that learns to generate conditional noise mask specifically tailored to improve performance on multi-modal and multi-organ datasets. As a reinforcement learning algorithm, our approach employs a dual-component system comprising a very light-weight policy network that learns to sample conditional noise using a differentiable beta distribution as well as a classifier network. The policy network is trained using the reinforce algorithm to generate image-specific noise masks that regularize the classifier during pretraining. A key aspect is that the policy network's role is limited to obtaining an intermediate (or heated) model before fine-tuning. During inference, the policy network is omitted, allowing direct comparison between the baseline and noise-regularized models. We conducted experiments and related analyses on RadImageNet datasets. Results demonstrate that fine-tuning the intermediate models consistently outperforms conventional training algorithms on both classification and generalization to unseen concept tasks.

Preference optimization methods typically begin training with a well-trained SFT model as a reference model. In RLHF and DPO, a regularization term is used during the preference optimization process to prevent the policy model from deviating too far from the reference model's distribution, thereby avoiding the generation of anomalous responses. When the reference model is already well-aligned with the given data or only requires slight adjustments, this approach can produce a well-aligned model. However, if the reference model is not aligned with the given data and requires significant deviation from its current state, a regularization term may actually hinder the model alignment. In this study, we propose Modulated Intervention Preference Optimization (MIPO) to address this issue. MIPO modulates the degree of intervention from the reference model based on how well the given data is aligned with it. If the data is well-aligned, the intervention is increased to prevent the policy model from diverging significantly from reference model. Conversely, if the alignment is poor, the interference is reduced to facilitate more extensive training. We compare the performance of MIPO and DPO using Mistral-7B and Llama3-8B in Alpaca Eval 2.0 and MT-Bench. The experimental results demonstrate that MIPO consistently outperforms DPO across various evaluation scenarios.

Parameter-efficient fine-tuning methods, represented by LoRA, play an essential role in adapting large-scale pre-trained models to downstream tasks. However, fine-tuning LoRA-series models also faces the risk of overfitting on the training dataset, and yet there's still a lack of theoretical guidance and practical mechanism to control overfitting on LoRA-based PEFT methods. In this paper, we propose a LoRA Dropout mechanism for the LoRA-based methods by introducing random noises to the learnable low-rank matrices and increasing parameter sparsity. We then demonstrate the theoretical mechanism of our LoRA Dropout mechanism from the perspective of sparsity regularization by providing a generalization error bound under this framework. Theoretical results show that appropriate sparsity would help tighten the gap between empirical and generalization risks and thereby control overfitting. Furthermore, based on the LoRA Dropout framework, we introduce a test-time ensemble strategy and provide theoretical evidence demonstrating that the ensemble method can further compress the error bound, and lead to better performance during inference time. Extensive experiments on various NLP tasks provide practical validations of the effectiveness of our LoRA Dropout framework in improving model accuracy and calibration.

Popular machine learning approaches forgo second-order information due to the difficulty of computing curvature in high dimensions. We present FOSI, a novel meta-algorithm that improves the performance of any base first-order optimizer by efficiently incorporating second-order information during the optimization process. In each iteration, FOSI implicitly splits the function into two quadratic functions defined on orthogonal subspaces, then uses a second-order method to minimize the first, and the base optimizer to minimize the other. We formally analyze FOSI's convergence and the conditions under which it improves a base optimizer. Our empirical evaluation demonstrates that FOSI improves the convergence rate and optimization time of first-order methods such as Heavy-Ball and Adam, and outperforms second-order methods (K-FAC and L-BFGS).

Representations learned via self-supervised learning (SSL) can be susceptible to dimensional collapse, where the learned representation subspace is of extremely low dimensionality and thus fails to represent the full data distribution and modalities. Dimensional collapse also known as the "underfilling" phenomenon is one of the major causes of degraded performance on downstream tasks. Previous work has investigated the dimensional collapse problem of SSL at a global level. In this paper, we demonstrate that representations can span over high dimensional space globally, but collapse locally. To address this, we propose a method called local dimensionality regularization (LDReg). Our formulation is based on the derivation of the Fisher-Rao metric to compare and optimize local distance distributions at an asymptotically small radius for each data point. By increasing the local intrinsic dimensionality, we demonstrate through a range of experiments that LDReg improves the representation quality of SSL. The results also show that LDReg can regularize dimensionality at both local and global levels.

We investigate methods for combining multiple self-supervised tasks--i.e., supervised tasks where data can be collected without manual labeling--in order to train a single visual representation. First, we provide an apples-to-apples comparison of four different self-supervised tasks using the very deep ResNet-101 architecture. We then combine tasks to jointly train a network. We also explore lasso regularization to encourage the network to factorize the information in its representation, and methods for "harmonizing" network inputs in order to learn a more unified representation. We evaluate all methods on ImageNet classification, PASCAL VOC detection, and NYU depth prediction. Our results show that deeper networks work better, and that combining tasks--even via a naive multi-head architecture--always improves performance. Our best joint network nearly matches the PASCAL performance of a model pre-trained on ImageNet classification, and matches the ImageNet network on NYU depth prediction.

The Invariant Risk Minimization (IRM) principle was first proposed by Arjovsky et al. [2019] to address the domain generalization problem by leveraging data heterogeneity from differing experimental conditions. Specifically, IRM seeks to find a data representation under which an optimal classifier remains invariant across all domains. Despite the conceptual appeal of IRM, the effectiveness of the originally proposed invariance penalty has recently been brought into question. In particular, there exists counterexamples for which that invariance penalty can be arbitrarily small for non-invariant data representations. We propose an alternative invariance penalty by revisiting the Gramian matrix of the data representation. We discuss the role of its eigenvalues in the relationship between the risk and the invariance penalty, and demonstrate that it is ill-conditioned for said counterexamples. The proposed approach is guaranteed to recover an invariant representation for linear settings under mild non-degeneracy conditions. Its effectiveness is substantiated by experiments on DomainBed and InvarianceUnitTest, two extensive test beds for domain generalization.

Modern ML applications increasingly rely on complex deep learning models and large datasets. There has been an exponential growth in the amount of computation needed to train the largest models. Therefore, to scale computation and data, these models are inevitably trained in a distributed manner in clusters of nodes, and their updates are aggregated before being applied to the model. However, a distributed setup is prone to Byzantine failures of individual nodes, components, and software. With data augmentation added to these settings, there is a critical need for robust and efficient aggregation systems. We define the quality of workers as reconstruction ratios in (0,1], and formulate aggregation as a Maximum Likelihood Estimation procedure using Beta densities. We show that the Regularized form of log-likelihood wrt subspace can be approximately solved using iterative least squares solver, and provide convergence guarantees using recent Convex Optimization landscape results. Our empirical findings demonstrate that our approach significantly enhances the robustness of state-of-the-art Byzantine resilient aggregators. We evaluate our method in a distributed setup with a parameter server, and show simultaneous improvements in communication efficiency and accuracy across various tasks. The code is publicly available at https://github.com/hamidralmasi/FlagAggregator

Image-to-Image translation (I2I) is a subtype of Machine Learning (ML) that has tremendous potential in applications where two domains of images and the need for translation between the two exist, such as the removal of fog. For example, this could be useful for autonomous vehicles, which currently struggle with adverse weather conditions like fog. However, datasets for I2I tasks are not abundant and typically hard to acquire. Here, we introduce STEREOFOG, a dataset comprised of 10,067 paired fogged and clear images, captured using a custom-built device, with the purpose of exploring I2I's potential in this domain. It is the only real-world dataset of this kind to the best of our knowledge. Furthermore, we apply and optimize the pix2pix I2I ML framework to this dataset. With the final model achieving an average Complex Wavelet-Structural Similarity (CW-SSIM) score of 0.76, we prove the technique's suitability for the problem.

This paper addresses the challenge of localization of anatomical landmarks in knee X-ray images at different stages of osteoarthritis (OA). Landmark localization can be viewed as regression problem, where the landmark position is directly predicted by using the region of interest or even full-size images leading to large memory footprint, especially in case of high resolution medical images. In this work, we propose an efficient deep neural networks framework with an hourglass architecture utilizing a soft-argmax layer to directly predict normalized coordinates of the landmark points. We provide an extensive evaluation of different regularization techniques and various loss functions to understand their influence on the localization performance. Furthermore, we introduce the concept of transfer learning from low-budget annotations, and experimentally demonstrate that such approach is improving the accuracy of landmark localization. Compared to the prior methods, we validate our model on two datasets that are independent from the train data and assess the performance of the method for different stages of OA severity. The proposed approach demonstrates better generalization performance compared to the current state-of-the-art.

Gradient regularization (GR) is a method that penalizes the gradient norm of the training loss during training. While some studies have reported that GR can improve generalization performance, little attention has been paid to it from the algorithmic perspective, that is, the algorithms of GR that efficiently improve the performance. In this study, we first reveal that a specific finite-difference computation, composed of both gradient ascent and descent steps, reduces the computational cost of GR. Next, we show that the finite-difference computation also works better in the sense of generalization performance. We theoretically analyze a solvable model, a diagonal linear network, and clarify that GR has a desirable implicit bias to so-called rich regime and finite-difference computation strengthens this bias. Furthermore, finite-difference GR is closely related to some other algorithms based on iterative ascent and descent steps for exploring flat minima. In particular, we reveal that the flooding method can perform finite-difference GR in an implicit way. Thus, this work broadens our understanding of GR for both practice and theory.

In this paper, we study the implicit regularization of stochastic gradient descent (SGD) through the lens of {\em dynamical stability} (Wu et al., 2018). We start by revising existing stability analyses of SGD, showing how the Frobenius norm and trace of Hessian relate to different notions of stability. Notably, if a global minimum is linearly stable for SGD, then the trace of Hessian must be less than or equal to 2/eta, where eta denotes the learning rate. By contrast, for gradient descent (GD), the stability imposes a similar constraint but only on the largest eigenvalue of Hessian. We then turn to analyze the generalization properties of these stable minima, focusing specifically on two-layer ReLU networks and diagonal linear networks. Notably, we establish the {\em equivalence} between these metrics of sharpness and certain parameter norms for the two models, which allows us to show that the stable minima of SGD provably generalize well. By contrast, the stability-induced regularization of GD is provably too weak to ensure satisfactory generalization. This discrepancy provides an explanation of why SGD often generalizes better than GD. Note that the learning rate (LR) plays a pivotal role in the strength of stability-induced regularization. As the LR increases, the regularization effect becomes more pronounced, elucidating why SGD with a larger LR consistently demonstrates superior generalization capabilities. Additionally, numerical experiments are provided to support our theoretical findings.

Generalizing to out-of-distribution (OOD) data or unseen domain, termed OOD generalization, still lacks appropriate theoretical guarantees. Canonical OOD bounds focus on different distance measurements between source and target domains but fail to consider the optimization property of the learned model. As empirically shown in recent work, the sharpness of learned minima influences OOD generalization. To bridge this gap between optimization and OOD generalization, we study the effect of sharpness on how a model tolerates data change in domain shift which is usually captured by "robustness" in generalization. In this paper, we give a rigorous connection between sharpness and robustness, which gives better OOD guarantees for robust algorithms. It also provides a theoretical backing for "flat minima leads to better OOD generalization". Overall, we propose a sharpness-based OOD generalization bound by taking robustness into consideration, resulting in a tighter bound than non-robust guarantees. Our findings are supported by the experiments on a ridge regression model, as well as the experiments on deep learning classification tasks.

In this paper, we apply the self-attention from the state-of-the-art Transformer in Attention Is All You Need for the first time to a data-driven operator learning problem related to partial differential equations. An effort is put together to explain the heuristics of, and to improve the efficacy of the attention mechanism. By employing the operator approximation theory in Hilbert spaces, it is demonstrated for the first time that the softmax normalization in the scaled dot-product attention is sufficient but not necessary. Without softmax, the approximation capacity of a linearized Transformer variant can be proved to be comparable to a Petrov-Galerkin projection layer-wise, and the estimate is independent with respect to the sequence length. A new layer normalization scheme mimicking the Petrov-Galerkin projection is proposed to allow a scaling to propagate through attention layers, which helps the model achieve remarkable accuracy in operator learning tasks with unnormalized data. Finally, we present three operator learning experiments, including the viscid Burgers' equation, an interface Darcy flow, and an inverse interface coefficient identification problem. The newly proposed simple attention-based operator learner, Galerkin Transformer, shows significant improvements in both training cost and evaluation accuracy over its softmax-normalized counterparts.

This manuscript considers the problem of learning a random Gaussian network function using a fully connected network with frozen intermediate layers and trainable readout layer. This problem can be seen as a natural generalization of the widely studied random features model to deeper architectures. First, we prove Gaussian universality of the test error in a ridge regression setting where the learner and target networks share the same intermediate layers, and provide a sharp asymptotic formula for it. Establishing this result requires proving a deterministic equivalent for traces of the deep random features sample covariance matrices which can be of independent interest. Second, we conjecture the asymptotic Gaussian universality of the test error in the more general setting of arbitrary convex losses and generic learner/target architectures. We provide extensive numerical evidence for this conjecture, which requires the derivation of closed-form expressions for the layer-wise post-activation population covariances. In light of our results, we investigate the interplay between architecture design and implicit regularization.

We propose Super-resolution Neural Operator (SRNO), a deep operator learning framework that can resolve high-resolution (HR) images at arbitrary scales from the low-resolution (LR) counterparts. Treating the LR-HR image pairs as continuous functions approximated with different grid sizes, SRNO learns the mapping between the corresponding function spaces. From the perspective of approximation theory, SRNO first embeds the LR input into a higher-dimensional latent representation space, trying to capture sufficient basis functions, and then iteratively approximates the implicit image function with a kernel integral mechanism, followed by a final dimensionality reduction step to generate the RGB representation at the target coordinates. The key characteristics distinguishing SRNO from prior continuous SR works are: 1) the kernel integral in each layer is efficiently implemented via the Galerkin-type attention, which possesses non-local properties in the spatial domain and therefore benefits the grid-free continuum; and 2) the multilayer attention architecture allows for the dynamic latent basis update, which is crucial for SR problems to "hallucinate" high-frequency information from the LR image. Experiments show that SRNO outperforms existing continuous SR methods in terms of both accuracy and running time. Our code is at https://github.com/2y7c3/Super-Resolution-Neural-Operator

This paper introduces Least Volume-a simple yet effective regularization inspired by geometric intuition-that can reduce the necessary number of latent dimensions needed by an autoencoder without requiring any prior knowledge of the intrinsic dimensionality of the dataset. We show that the Lipschitz continuity of the decoder is the key to making it work, provide a proof that PCA is just a linear special case of it, and reveal that it has a similar PCA-like importance ordering effect when applied to nonlinear models. We demonstrate the intuition behind the regularization on some pedagogical toy problems, and its effectiveness on several benchmark problems, including MNIST, CIFAR-10 and CelebA.

Zeroth-order (ZO) optimization has become a popular technique for solving machine learning (ML) problems when first-order (FO) information is difficult or impossible to obtain. However, the scalability of ZO optimization remains an open problem: Its use has primarily been limited to relatively small-scale ML problems, such as sample-wise adversarial attack generation. To our best knowledge, no prior work has demonstrated the effectiveness of ZO optimization in training deep neural networks (DNNs) without a significant decrease in performance. To overcome this roadblock, we develop DeepZero, a principled ZO deep learning (DL) framework that can scale ZO optimization to DNN training from scratch through three primary innovations. First, we demonstrate the advantages of coordinatewise gradient estimation (CGE) over randomized vector-wise gradient estimation in training accuracy and computational efficiency. Second, we propose a sparsityinduced ZO training protocol that extends the model pruning methodology using only finite differences to explore and exploit the sparse DL prior in CGE. Third, we develop the methods of feature reuse and forward parallelization to advance the practical implementations of ZO training. Our extensive experiments show that DeepZero achieves state-of-the-art (SOTA) accuracy on ResNet-20 trained on CIFAR-10, approaching FO training performance for the first time. Furthermore, we show the practical utility of DeepZero in applications of certified adversarial defense and DL-based partial differential equation error correction, achieving 10-20% improvement over SOTA. We believe our results will inspire future research on scalable ZO optimization and contribute to advancing DL with black box. Codes are available at https://github.com/OPTML-Group/DeepZero.

Two different approaches exist to handle missing values for prediction: either imputation, prior to fitting any predictive algorithms, or dedicated methods able to natively incorporate missing values. While imputation is widely (and easily) use, it is unfortunately biased when low-capacity predictors (such as linear models) are applied afterward. However, in practice, naive imputation exhibits good predictive performance. In this paper, we study the impact of imputation in a high-dimensional linear model with MCAR missing data. We prove that zero imputation performs an implicit regularization closely related to the ridge method, often used in high-dimensional problems. Leveraging on this connection, we establish that the imputation bias is controlled by a ridge bias, which vanishes in high dimension. As a predictor, we argue in favor of the averaged SGD strategy, applied to zero-imputed data. We establish an upper bound on its generalization error, highlighting that imputation is benign in the d sqrt n regime. Experiments illustrate our findings.

Training deep neural networks for classification often includes minimizing the training loss beyond the zero training error point. In this phase of training, a "neural collapse" behavior has been observed: the variability of features (outputs of the penultimate layer) of within-class samples decreases and the mean features of different classes approach a certain tight frame structure. Recent works analyze this behavior via idealized unconstrained features models where all the minimizers exhibit exact collapse. However, with practical networks and datasets, the features typically do not reach exact collapse, e.g., because deep layers cannot arbitrarily modify intermediate features that are far from being collapsed. In this paper, we propose a richer model that can capture this phenomenon by forcing the features to stay in the vicinity of a predefined features matrix (e.g., intermediate features). We explore the model in the small vicinity case via perturbation analysis and establish results that cannot be obtained by the previously studied models. For example, we prove reduction in the within-class variability of the optimized features compared to the predefined input features (via analyzing gradient flow on the "central-path" with minimal assumptions), analyze the minimizers in the near-collapse regime, and provide insights on the effect of regularization hyperparameters on the closeness to collapse. We support our theory with experiments in practical deep learning settings.

Deep learning models are challenged by the distribution shift between the training data and test data. Recently, the large models pre-trained on diverse data have demonstrated unprecedented robustness to various distribution shifts. However, fine-tuning these models can lead to a trade-off between in-distribution (ID) performance and out-of-distribution (OOD) robustness. Existing methods for tackling this trade-off do not explicitly address the OOD robustness problem. In this paper, based on causal analysis of the aforementioned problems, we propose a novel fine-tuning method, which uses masked images as counterfactual samples that help improve the robustness of the fine-tuning model. Specifically, we mask either the semantics-related or semantics-unrelated patches of the images based on class activation map to break the spurious correlation, and refill the masked patches with patches from other images. The resulting counterfactual samples are used in feature-based distillation with the pre-trained model. Extensive experiments verify that regularizing the fine-tuning with the proposed masked images can achieve a better trade-off between ID and OOD performance, surpassing previous methods on the OOD performance. Our code is available at https://github.com/Coxy7/robust-finetuning.

We study the problem of online generalized linear regression in the stochastic setting, where the label is generated from a generalized linear model with possibly unbounded additive noise. We provide a sharp analysis of the classical follow-the-regularized-leader (FTRL) algorithm to cope with the label noise. More specifically, for sigma-sub-Gaussian label noise, our analysis provides a regret upper bound of O(sigma^2 d log T) + o(log T), where d is the dimension of the input vector, T is the total number of rounds. We also prove a Omega(sigma^2dlog(T/d)) lower bound for stochastic online linear regression, which indicates that our upper bound is nearly optimal. In addition, we extend our analysis to a more refined Bernstein noise condition. As an application, we study generalized linear bandits with heteroscedastic noise and propose an algorithm based on FTRL to achieve the first variance-aware regret bound.

Recently, using diffusion models for zero-shot image restoration (IR) has become a new hot paradigm. This type of method only needs to use the pre-trained off-the-shelf diffusion models, without any finetuning, and can directly handle various IR tasks. The upper limit of the restoration performance depends on the pre-trained diffusion models, which are in rapid evolution. However, current methods only discuss how to deal with fixed-size images, but dealing with images of arbitrary sizes is very important for practical applications. This paper focuses on how to use those diffusion-based zero-shot IR methods to deal with any size while maintaining the excellent characteristics of zero-shot. A simple way to solve arbitrary size is to divide it into fixed-size patches and solve each patch independently. But this may yield significant artifacts since it neither considers the global semantics of all patches nor the local information of adjacent patches. Inspired by the Range-Null space Decomposition, we propose the Mask-Shift Restoration to address local incoherence and propose the Hierarchical Restoration to alleviate out-of-domain issues. Our simple, parameter-free approaches can be used not only for image restoration but also for image generation of unlimited sizes, with the potential to be a general tool for diffusion models. Code: https://github.com/wyhuai/DDNM/tree/main/hq_demo

Regularization is a set of techniques that are used to improve the generalization ability of deep neural networks. In this paper, we introduce weight compander (WC), a novel effective method to improve generalization by reparameterizing each weight in deep neural networks using a nonlinear function. It is a general, intuitive, cheap and easy to implement method, which can be combined with various other regularization techniques. Large weights in deep neural networks are a sign of a more complex network that is overfitted to the training data. Moreover, regularized networks tend to have a greater range of weights around zero with fewer weights centered at zero. We introduce a weight reparameterization function which is applied to each weight and implicitly reduces overfitting by restricting the magnitude of the weights while forcing them away from zero at the same time. This leads to a more democratic decision-making in the network. Firstly, individual weights cannot have too much influence in the prediction process due to the restriction of their magnitude. Secondly, more weights are used in the prediction process, since they are forced away from zero during the training. This promotes the extraction of more features from the input data and increases the level of weight redundancy, which makes the network less sensitive to statistical differences between training and test data. We extend our method to learn the hyperparameters of the introduced weight reparameterization function. This avoids hyperparameter search and gives the network the opportunity to align the weight reparameterization with the training progress. We show experimentally that using weight compander in addition to standard regularization methods improves the performance of neural networks.

Stochastic Gradient Descent (SGD) stands as a cornerstone optimization algorithm with proven real-world empirical successes but relatively limited theoretical understanding. Recent research has illuminated a key factor contributing to its practical efficacy: the implicit regularization it instigates. Several studies have investigated the linear stability property of SGD in the vicinity of a stationary point as a predictive proxy for sharpness and generalization error in overparameterized neural networks (Wu et al., 2022; Jastrzebski et al., 2019; Cohen et al., 2021). In this paper, we delve deeper into the relationship between linear stability and sharpness. More specifically, we meticulously delineate the necessary and sufficient conditions for linear stability, contingent on hyperparameters of SGD and the sharpness at the optimum. Towards this end, we introduce a novel coherence measure of the loss Hessian that encapsulates pertinent geometric properties of the loss function that are relevant to the linear stability of SGD. It enables us to provide a simplified sufficient condition for identifying linear instability at an optimum. Notably, compared to previous works, our analysis relies on significantly milder assumptions and is applicable for a broader class of loss functions than known before, encompassing not only mean-squared error but also cross-entropy loss.

Off-policy learning (OPL) aims at finding improved policies from logged bandit data, often by minimizing the inverse propensity scoring (IPS) estimator of the risk. In this work, we investigate a smooth regularization for IPS, for which we derive a two-sided PAC-Bayes generalization bound. The bound is tractable, scalable, interpretable and provides learning certificates. In particular, it is also valid for standard IPS without making the assumption that the importance weights are bounded. We demonstrate the relevance of our approach and its favorable performance through a set of learning tasks. Since our bound holds for standard IPS, we are able to provide insight into when regularizing IPS is useful. Namely, we identify cases where regularization might not be needed. This goes against the belief that, in practice, clipped IPS often enjoys favorable performance than standard IPS in OPL.

Omnidirectional images (ODIs) are commonly used in real-world visual tasks, and high-resolution ODIs help improve the performance of related visual tasks. Most existing super-resolution methods for ODIs use end-to-end learning strategies, resulting in inferior realness of generated images and a lack of effective out-of-domain generalization capabilities in training methods. Image generation methods represented by diffusion model provide strong priors for visual tasks and have been proven to be effectively applied to image restoration tasks. Leveraging the image priors of the Stable Diffusion (SD) model, we achieve omnidirectional image super-resolution with both fidelity and realness, dubbed as OmniSSR. Firstly, we transform the equirectangular projection (ERP) images into tangent projection (TP) images, whose distribution approximates the planar image domain. Then, we use SD to iteratively sample initial high-resolution results. At each denoising iteration, we further correct and update the initial results using the proposed Octadecaplex Tangent Information Interaction (OTII) and Gradient Decomposition (GD) technique to ensure better consistency. Finally, the TP images are transformed back to obtain the final high-resolution results. Our method is zero-shot, requiring no training or fine-tuning. Experiments of our method on two benchmark datasets demonstrate the effectiveness of our proposed method.

Using unlabeled data to regularize the machine learning models has demonstrated promise for improving safety and reliability in detecting out-of-distribution (OOD) data. Harnessing the power of unlabeled in-the-wild data is non-trivial due to the heterogeneity of both in-distribution (ID) and OOD data. This lack of a clean set of OOD samples poses significant challenges in learning an optimal OOD classifier. Currently, there is a lack of research on formally understanding how unlabeled data helps OOD detection. This paper bridges the gap by introducing a new learning framework SAL (Separate And Learn) that offers both strong theoretical guarantees and empirical effectiveness. The framework separates candidate outliers from the unlabeled data and then trains an OOD classifier using the candidate outliers and the labeled ID data. Theoretically, we provide rigorous error bounds from the lens of separability and learnability, formally justifying the two components in our algorithm. Our theory shows that SAL can separate the candidate outliers with small error rates, which leads to a generalization guarantee for the learned OOD classifier. Empirically, SAL achieves state-of-the-art performance on common benchmarks, reinforcing our theoretical insights. Code is publicly available at https://github.com/deeplearning-wisc/sal.

This paper describes an efficient algorithm for solving noisy linear inverse problems using pretrained diffusion models. Extending the paradigm of denoising diffusion implicit models (DDIM), we propose constrained diffusion implicit models (CDIM) that modify the diffusion updates to enforce a constraint upon the final output. For noiseless inverse problems, CDIM exactly satisfies the constraints; in the noisy case, we generalize CDIM to satisfy an exact constraint on the residual distribution of the noise. Experiments across a variety of tasks and metrics show strong performance of CDIM, with analogous inference acceleration to unconstrained DDIM: 10 to 50 times faster than previous conditional diffusion methods. We demonstrate the versatility of our approach on many problems including super-resolution, denoising, inpainting, deblurring, and 3D point cloud reconstruction.

Mixture of experts (MoE) has a well-principled finite mixture model construction for prediction, allowing the gating network (mixture weights) to learn from the predictors (explanatory variables) together with the experts' network (mixture component densities). We investigate the estimation properties of MoEs in a high-dimensional setting, where the number of predictors is much larger than the sample size, for which the literature lacks computational and especially theoretical results. We consider the class of finite MoE models with softmax gating functions and Gaussian regression experts, and focus on the theoretical properties of their l_1-regularized estimation via the Lasso. We provide a lower bound on the regularization parameter of the Lasso penalty that ensures an l_1-oracle inequality is satisfied by the Lasso estimator according to the Kullback--Leibler loss. We further state an l_1-ball oracle inequality for the l_1-penalized maximum likelihood estimator from the model selection.

Supervised learning can be viewed as distilling relevant information from input data into feature representations. This process becomes difficult when supervision is noisy as the distilled information might not be relevant. In fact, recent research shows that networks can easily overfit all labels including those that are corrupted, and hence can hardly generalize to clean datasets. In this paper, we focus on the problem of learning with noisy labels and introduce compression inductive bias to network architectures to alleviate this over-fitting problem. More precisely, we revisit one classical regularization named Dropout and its variant Nested Dropout. Dropout can serve as a compression constraint for its feature dropping mechanism, while Nested Dropout further learns ordered feature representations w.r.t. feature importance. Moreover, the trained models with compression regularization are further combined with Co-teaching for performance boost. Theoretically, we conduct bias-variance decomposition of the objective function under compression regularization. We analyze it for both single model and Co-teaching. This decomposition provides three insights: (i) it shows that over-fitting is indeed an issue for learning with noisy labels; (ii) through an information bottleneck formulation, it explains why the proposed feature compression helps in combating label noise; (iii) it gives explanations on the performance boost brought by incorporating compression regularization into Co-teaching. Experiments show that our simple approach can have comparable or even better performance than the state-of-the-art methods on benchmarks with real-world label noise including Clothing1M and ANIMAL-10N. Our implementation is available at https://yingyichen-cyy.github.io/CompressFeatNoisyLabels/.

Image denoisers have been shown to be powerful priors for solving inverse problems in imaging. In this work, we introduce a generalization of these methods that allows any image restoration network to be used as an implicit prior. The proposed method uses priors specified by deep neural networks pre-trained as general restoration operators. The method provides a principled approach for adapting state-of-the-art restoration models for other inverse problems. Our theoretical result analyzes its convergence to a stationary point of a global functional associated with the restoration operator. Numerical results show that the method using a super-resolution prior achieves state-of-the-art performance both quantitatively and qualitatively. Overall, this work offers a step forward for solving inverse problems by enabling the use of powerful pre-trained restoration models as priors.

Generalization to out-of-distribution (OOD) data is a critical challenge in machine learning. Ensemble-based methods, like weight space ensembles that interpolate model parameters, have been shown to achieve superior OOD performance. However, the underlying mechanism for their effectiveness remains unclear. In this study, we closely examine WiSE-FT, a popular weight space ensemble method that interpolates between a pre-trained and a fine-tuned model. We observe an unexpected phenomenon, in which WiSE-FT successfully corrects many cases where each individual model makes incorrect predictions, which contributes significantly to its OOD effectiveness. To gain further insights, we conduct theoretical analysis in a multi-class setting with a large number of spurious features. Our analysis predicts the above phenomenon and it further shows that ensemble-based models reduce prediction errors in the OOD settings by utilizing a more diverse set of spurious features. Contrary to the conventional wisdom that focuses on learning invariant features for better OOD performance, our findings suggest that incorporating a large number of diverse spurious features weakens their individual contributions, leading to improved overall OOD generalization performance. Empirically we demonstrate the effectiveness of utilizing diverse spurious features on a MultiColorMNIST dataset, and our experimental results are consistent with the theoretical analysis. Building upon the new theoretical insights into the efficacy of ensemble methods, we further identify an issue of WiSE-FT caused by the overconfidence of fine-tuned models in OOD situations. This overconfidence magnifies the fine-tuned model's incorrect prediction, leading to deteriorated OOD ensemble performance. To remedy this problem, we propose a novel method called BAlaNced averaGing (BANG), which significantly enhances the OOD performance of WiSE-FT.

Implicit neural representations (INRs) use neural networks to provide continuous and resolution-independent representations of complex signals with a small number of parameters. However, existing INR models often fail to capture important frequency components specific to each task. To address this issue, in this paper, we propose a Fourier Kolmogorov Arnold network (FKAN) for INRs. The proposed FKAN utilizes learnable activation functions modeled as Fourier series in the first layer to effectively control and learn the task-specific frequency components. In addition, the activation functions with learnable Fourier coefficients improve the ability of the network to capture complex patterns and details, which is beneficial for high-resolution and high-dimensional data. Experimental results show that our proposed FKAN model outperforms three state-of-the-art baseline schemes, and improves the peak signal-to-noise ratio (PSNR) and structural similarity index measure (SSIM) for the image representation task and intersection over union (IoU) for the 3D occupancy volume representation task, respectively.

We analyze Newton's method with lazy Hessian updates for solving general possibly non-convex optimization problems. We propose to reuse a previously seen Hessian for several iterations while computing new gradients at each step of the method. This significantly reduces the overall arithmetical complexity of second-order optimization schemes. By using the cubic regularization technique, we establish fast global convergence of our method to a second-order stationary point, while the Hessian does not need to be updated each iteration. For convex problems, we justify global and local superlinear rates for lazy Newton steps with quadratic regularization, which is easier to compute. The optimal frequency for updating the Hessian is once every d iterations, where d is the dimension of the problem. This provably improves the total arithmetical complexity of second-order algorithms by a factor d.

Deep neural network is difficult to train and this predicament becomes worse as the depth increases. The essence of this problem exists in the magnitude of backpropagated errors that will result in gradient vanishing or exploding phenomenon. We show that a variant of regularizer which utilizes orthonormality among different filter banks can alleviate this problem. Moreover, we design a backward error modulation mechanism based on the quasi-isometry assumption between two consecutive parametric layers. Equipped with these two ingredients, we propose several novel optimization solutions that can be utilized for training a specific-structured (repetitively triple modules of Conv-BNReLU) extremely deep convolutional neural network (CNN) WITHOUT any shortcuts/ identity mappings from scratch. Experiments show that our proposed solutions can achieve distinct improvements for a 44-layer and a 110-layer plain networks on both the CIFAR-10 and ImageNet datasets. Moreover, we can successfully train plain CNNs to match the performance of the residual counterparts. Besides, we propose new principles for designing network structure from the insights evoked by orthonormality. Combined with residual structure, we achieve comparative performance on the ImageNet dataset.

Recovery of an underlying scene geometry from multiview images stands as a long-time challenge in computer vision research. The recent promise leverages neural implicit surface learning and differentiable volume rendering, and achieves both the recovery of scene geometry and synthesis of novel views, where deep priors of neural models are used as an inductive smoothness bias. While promising for object-level surfaces, these methods suffer when coping with complex scene surfaces. In the meanwhile, traditional multi-view stereo can recover the geometry of scenes with rich textures, by globally optimizing the local, pixel-wise correspondences across multiple views. We are thus motivated to make use of the complementary benefits from the two strategies, and propose a method termed Helix-shaped neural implicit Surface learning or HelixSurf; HelixSurf uses the intermediate prediction from one strategy as the guidance to regularize the learning of the other one, and conducts such intertwined regularization iteratively during the learning process. We also propose an efficient scheme for differentiable volume rendering in HelixSurf. Experiments on surface reconstruction of indoor scenes show that our method compares favorably with existing methods and is orders of magnitude faster, even when some of existing methods are assisted with auxiliary training data. The source code is available at https://github.com/Gorilla-Lab-SCUT/HelixSurf.

Diffusion model (DM) has achieved SOTA performance by modeling the image synthesis process into a sequential application of a denoising network. However, different from image synthesis, image restoration (IR) has a strong constraint to generate results in accordance with ground-truth. Thus, for IR, traditional DMs running massive iterations on a large model to estimate whole images or feature maps is inefficient. To address this issue, we propose an efficient DM for IR (DiffIR), which consists of a compact IR prior extraction network (CPEN), dynamic IR transformer (DIRformer), and denoising network. Specifically, DiffIR has two training stages: pretraining and training DM. In pretraining, we input ground-truth images into CPEN_{S1} to capture a compact IR prior representation (IPR) to guide DIRformer. In the second stage, we train the DM to directly estimate the same IRP as pretrained CPEN_{S1} only using LQ images. We observe that since the IPR is only a compact vector, DiffIR can use fewer iterations than traditional DM to obtain accurate estimations and generate more stable and realistic results. Since the iterations are few, our DiffIR can adopt a joint optimization of CPEN_{S2}, DIRformer, and denoising network, which can further reduce the estimation error influence. We conduct extensive experiments on several IR tasks and achieve SOTA performance while consuming less computational costs. Code is available at https://github.com/Zj-BinXia/DiffIR.

Optimization and generalization are two essential aspects of statistical machine learning. In this paper, we propose a framework to connect optimization with generalization by analyzing the generalization error based on the optimization trajectory under the gradient flow algorithm. The key ingredient of this framework is the Uniform-LGI, a property that is generally satisfied when training machine learning models. Leveraging the Uniform-LGI, we first derive convergence rates for gradient flow algorithm, then we give generalization bounds for a large class of machine learning models. We further apply our framework to three distinct machine learning models: linear regression, kernel regression, and two-layer neural networks. Through our approach, we obtain generalization estimates that match or extend previous results.

While following different technical routes, both low-rank and orthogonal adaptation techniques can efficiently adapt large-scale pre-training models in specific tasks or domains based on a small piece of trainable parameters. In this study, we bridge the gap between these two techniques, proposing a simple but effective adaptation method based on Householder reflections. Given a pre-trained model, our method fine-tunes its layers by multiplying each frozen weight matrix with an orthogonal matrix constructed by a chain of learnable Householder reflections (HRs). This HR-based orthogonal fine-tuning is equivalent to an adaptive low-rank adaptation. Moreover, we show that the orthogonality of the reflection planes corresponding to the HRs impacts the model capacity and regularity. The analysis motivates us to regularize the orthogonality of the HRs, leading to different implementations of the proposed Householder reflection adaptation (HRA) method. Compared with state-of-the-art methods, HRA achieves superior performance with fewer learnable parameters when adapting large language models and conditional image generators. The code is available at https://github.com/DaShenZi721/HRA

Proximal operators are ubiquitous in inverse problems, commonly appearing as part of algorithmic strategies to regularize problems that are otherwise ill-posed. Modern deep learning models have been brought to bear for these tasks too, as in the framework of plug-and-play or deep unrolling, where they loosely resemble proximal operators. Yet, something essential is lost in employing these purely data-driven approaches: there is no guarantee that a general deep network represents the proximal operator of any function, nor is there any characterization of the function for which the network might provide some approximate proximal. This not only makes guaranteeing convergence of iterative schemes challenging but, more fundamentally, complicates the analysis of what has been learned by these networks about their training data. Herein we provide a framework to develop learned proximal networks (LPN), prove that they provide exact proximal operators for a data-driven nonconvex regularizer, and show how a new training strategy, dubbed proximal matching, provably promotes the recovery of the log-prior of the true data distribution. Such LPN provide general, unsupervised, expressive proximal operators that can be used for general inverse problems with convergence guarantees. We illustrate our results in a series of cases of increasing complexity, demonstrating that these models not only result in state-of-the-art performance, but provide a window into the resulting priors learned from data.

We address the problem of network calibration adjusting miscalibrated confidences of deep neural networks. Many approaches to network calibration adopt a regularization-based method that exploits a regularization term to smooth the miscalibrated confidences. Although these approaches have shown the effectiveness on calibrating the networks, there is still a lack of understanding on the underlying principles of regularization in terms of network calibration. We present in this paper an in-depth analysis of existing regularization-based methods, providing a better understanding on how they affect to network calibration. Specifically, we have observed that 1) the regularization-based methods can be interpreted as variants of label smoothing, and 2) they do not always behave desirably. Based on the analysis, we introduce a novel loss function, dubbed ACLS, that unifies the merits of existing regularization methods, while avoiding the limitations. We show extensive experimental results for image classification and semantic segmentation on standard benchmarks, including CIFAR10, Tiny-ImageNet, ImageNet, and PASCAL VOC, demonstrating the effectiveness of our loss function.

Design of reliable systems must guarantee stability against input perturbations. In machine learning, such guarantee entails preventing overfitting and ensuring robustness of models against corruption of input data. In order to maximize stability, we analyze and develop a computationally efficient implementation of Jacobian regularization that increases classification margins of neural networks. The stabilizing effect of the Jacobian regularizer leads to significant improvements in robustness, as measured against both random and adversarial input perturbations, without severely degrading generalization properties on clean data.

The success of deep neural networks for pan-sharpening is commonly in a form of black box, lacking transparency and interpretability. To alleviate this issue, we propose a novel model-driven deep unfolding framework with image reasoning prior tailored for the pan-sharpening task. Different from existing unfolding solutions that deliver the proximal operator networks as the uncertain and vague priors, our framework is motivated by the content reasoning ability of masked autoencoders (MAE) with insightful designs. Specifically, the pre-trained MAE with spatial masking strategy, acting as intrinsic reasoning prior, is embedded into unfolding architecture. Meanwhile, the pre-trained MAE with spatial-spectral masking strategy is treated as the regularization term within loss function to constrain the spatial-spectral consistency. Such designs penetrate the image reasoning prior into deep unfolding networks while improving its interpretability and representation capability. The uniqueness of our framework is that the holistic learning process is explicitly integrated with the inherent physical mechanism underlying the pan-sharpening task. Extensive experiments on multiple satellite datasets demonstrate the superiority of our method over the existing state-of-the-art approaches. Code will be released at https://manman1995.github.io/.

We show that deep neural networks (DNNs) can efficiently learn any composition of functions with bounded F_{1}-norm, which allows DNNs to break the curse of dimensionality in ways that shallow networks cannot. More specifically, we derive a generalization bound that combines a covering number argument for compositionality, and the F_{1}-norm (or the related Barron norm) for large width adaptivity. We show that the global minimizer of the regularized loss of DNNs can fit for example the composition of two functions f^{*}=hcirc g from a small number of observations, assuming g is smooth/regular and reduces the dimensionality (e.g. g could be the modulo map of the symmetries of f^{*}), so that h can be learned in spite of its low regularity. The measures of regularity we consider is the Sobolev norm with different levels of differentiability, which is well adapted to the F_{1} norm. We compute scaling laws empirically and observe phase transitions depending on whether g or h is harder to learn, as predicted by our theory.

Large, pretrained models are commonly finetuned with imagery that is heavily augmented to mimic different conditions and scales, with the resulting models used for various tasks with imagery from a range of spatial scales. Such models overlook scale-specific information in the data for scale-dependent domains, such as remote sensing. In this paper, we present Scale-MAE, a pretraining method that explicitly learns relationships between data at different, known scales throughout the pretraining process. Scale-MAE pretrains a network by masking an input image at a known input scale, where the area of the Earth covered by the image determines the scale of the ViT positional encoding, not the image resolution. Scale-MAE encodes the masked image with a standard ViT backbone, and then decodes the masked image through a bandpass filter to reconstruct low/high frequency images at lower/higher scales. We find that tasking the network with reconstructing both low/high frequency images leads to robust multiscale representations for remote sensing imagery. Scale-MAE achieves an average of a 2.4 - 5.6% non-parametric kNN classification improvement across eight remote sensing datasets compared to current state-of-the-art and obtains a 0.9 mIoU to 1.7 mIoU improvement on the SpaceNet building segmentation transfer task for a range of evaluation scales.

Cosine-similarity is the cosine of the angle between two vectors, or equivalently the dot product between their normalizations. A popular application is to quantify semantic similarity between high-dimensional objects by applying cosine-similarity to a learned low-dimensional feature embedding. This can work better but sometimes also worse than the unnormalized dot-product between embedded vectors in practice. To gain insight into this empirical observation, we study embeddings derived from regularized linear models, where closed-form solutions facilitate analytical insights. We derive analytically how cosine-similarity can yield arbitrary and therefore meaningless `similarities.' For some linear models the similarities are not even unique, while for others they are implicitly controlled by the regularization. We discuss implications beyond linear models: a combination of different regularizations are employed when learning deep models; these have implicit and unintended effects when taking cosine-similarities of the resulting embeddings, rendering results opaque and possibly arbitrary. Based on these insights, we caution against blindly using cosine-similarity and outline alternatives.

We introduce a novel class of sample-based explanations we term high-dimensional representers, that can be used to explain the predictions of a regularized high-dimensional model in terms of importance weights for each of the training samples. Our workhorse is a novel representer theorem for general regularized high-dimensional models, which decomposes the model prediction in terms of contributions from each of the training samples: with positive (negative) values corresponding to positive (negative) impact training samples to the model's prediction. We derive consequences for the canonical instances of ell_1 regularized sparse models, and nuclear norm regularized low-rank models. As a case study, we further investigate the application of low-rank models in the context of collaborative filtering, where we instantiate high-dimensional representers for specific popular classes of models. Finally, we study the empirical performance of our proposed methods on three real-world binary classification datasets and two recommender system datasets. We also showcase the utility of high-dimensional representers in explaining model recommendations.

There is a constant need for high-performing and computationally efficient neural network models for image super-resolution: computationally efficient models can be used via low-capacity devices and reduce carbon footprints. One way to obtain such models is to compress models, e.g. quantization. Another way is a neural architecture search that automatically discovers new, more efficient solutions. We propose a novel quantization-aware procedure, the QuantNAS that combines pros of these two approaches. To make QuantNAS work, the procedure looks for quantization-friendly super-resolution models. The approach utilizes entropy regularization, quantization noise, and Adaptive Deviation for Quantization (ADQ) module to enhance the search procedure. The entropy regularization technique prioritizes a single operation within each block of the search space. Adding quantization noise to parameters and activations approximates model degradation after quantization, resulting in a more quantization-friendly architectures. ADQ helps to alleviate problems caused by Batch Norm blocks in super-resolution models. Our experimental results show that the proposed approximations are better for search procedure than direct model quantization. QuantNAS discovers architectures with better PSNR/BitOps trade-off than uniform or mixed precision quantization of fixed architectures. We showcase the effectiveness of our method through its application to two search spaces inspired by the state-of-the-art SR models and RFDN. Thus, anyone can design a proper search space based on an existing architecture and apply our method to obtain better quality and efficiency. The proposed procedure is 30\% faster than direct weight quantization and is more stable.

It is widely believed that the implicit regularization of SGD is fundamental to the impressive generalization behavior we observe in neural networks. In this work, we demonstrate that non-stochastic full-batch training can achieve comparably strong performance to SGD on CIFAR-10 using modern architectures. To this end, we show that the implicit regularization of SGD can be completely replaced with explicit regularization even when comparing against a strong and well-researched baseline. Our observations indicate that the perceived difficulty of full-batch training may be the result of its optimization properties and the disproportionate time and effort spent by the ML community tuning optimizers and hyperparameters for small-batch training.

Sparse neural networks are a key factor in developing resource-efficient machine learning applications. We propose the novel and powerful sparse learning method Adaptive Regularized Training (ART) to compress dense into sparse networks. Instead of the commonly used binary mask during training to reduce the number of model weights, we inherently shrink weights close to zero in an iterative manner with increasing weight regularization. Our method compresses the pre-trained model knowledge into the weights of highest magnitude. Therefore, we introduce a novel regularization loss named HyperSparse that exploits the highest weights while conserving the ability of weight exploration. Extensive experiments on CIFAR and TinyImageNet show that our method leads to notable performance gains compared to other sparsification methods, especially in extremely high sparsity regimes up to 99.8 percent model sparsity. Additional investigations provide new insights into the patterns that are encoded in weights with high magnitudes.

Representing visual signals by coordinate-based deep fully-connected networks has been shown advantageous in fitting complex details and solving inverse problems than discrete grid-based representation. However, acquiring such a continuous Implicit Neural Representation (INR) requires tedious per-scene training on tons of signal measurements, which limits its practicality. In this paper, we present a generic INR framework that achieves both data and training efficiency by learning a Neural Implicit Dictionary (NID) from a data collection and representing INR as a functional combination of basis sampled from the dictionary. Our NID assembles a group of coordinate-based subnetworks which are tuned to span the desired function space. After training, one can instantly and robustly acquire an unseen scene representation by solving the coding coefficients. To parallelly optimize a large group of networks, we borrow the idea from Mixture-of-Expert (MoE) to design and train our network with a sparse gating mechanism. Our experiments show that, NID can improve reconstruction of 2D images or 3D scenes by 2 orders of magnitude faster with up to 98% less input data. We further demonstrate various applications of NID in image inpainting and occlusion removal, which are considered to be challenging with vanilla INR. Our codes are available in https://github.com/VITA-Group/Neural-Implicit-Dict.

Causal discovery with latent confounders is an important but challenging task in many scientific areas. Despite the success of some overcomplete independent component analysis (OICA) based methods in certain domains, they are computationally expensive and can easily get stuck into local optima. We notice that interestingly, by making use of higher-order cumulants, there exists a closed-form solution to OICA in specific cases, e.g., when the mixing procedure follows the One-Latent-Component structure. In light of the power of the closed-form solution to OICA corresponding to the One-Latent-Component structure, we formulate a way to estimate the mixing matrix using the higher-order cumulants, and further propose the testable One-Latent-Component condition to identify the latent variables and determine causal orders. By iteratively removing the share identified latent components, we successfully extend the results on the One-Latent-Component structure to the Multi-Latent-Component structure and finally provide a practical and asymptotically correct algorithm to learn the causal structure with latent variables. Experimental results illustrate the asymptotic correctness and effectiveness of the proposed method.

Existing AI-generated image (AIGI) detection methods often suffer from limited generalization performance. In this paper, we identify a crucial yet previously overlooked asymmetry phenomenon in AIGI detection: during training, models tend to quickly overfit to specific fake patterns in the training set, while other information is not adequately captured, leading to poor generalization when faced with new fake methods. A key insight is to incorporate the rich semantic knowledge embedded within large-scale vision foundation models (VFMs) to expand the previous discriminative space (based on forgery patterns only), such that the discrimination is decided by both forgery and semantic cues, thereby reducing the overfitting to specific forgery patterns. A straightforward solution is to fully fine-tune VFMs, but it risks distorting the well-learned semantic knowledge, pushing the model back toward overfitting. To this end, we design a novel approach called Effort: Efficient orthogonal modeling for generalizable AIGI detection. Specifically, we employ Singular Value Decomposition (SVD) to construct the orthogonal semantic and forgery subspaces. By freezing the principal components and adapting the residual components (sim0.19M parameters), we preserve the original semantic subspace and use its orthogonal subspace for learning forgeries. Extensive experiments on AIGI detection benchmarks demonstrate the superior effectiveness of our approach.

Efficiently approximating local curvature information of the loss function is a key tool for optimization and compression of deep neural networks. Yet, most existing methods to approximate second-order information have high computational or storage costs, which can limit their practicality. In this work, we investigate matrix-free, linear-time approaches for estimating Inverse-Hessian Vector Products (IHVPs) for the case when the Hessian can be approximated as a sum of rank-one matrices, as in the classic approximation of the Hessian by the empirical Fisher matrix. We propose two new algorithms as part of a framework called M-FAC: the first algorithm is tailored towards network compression and can compute the IHVP for dimension d, if the Hessian is given as a sum of m rank-one matrices, using O(dm^2) precomputation, O(dm) cost for computing the IHVP, and query cost O(m) for any single element of the inverse Hessian. The second algorithm targets an optimization setting, where we wish to compute the product between the inverse Hessian, estimated over a sliding window of optimization steps, and a given gradient direction, as required for preconditioned SGD. We give an algorithm with cost O(dm + m^2) for computing the IHVP and O(dm + m^3) for adding or removing any gradient from the sliding window. These two algorithms yield state-of-the-art results for network pruning and optimization with lower computational overhead relative to existing second-order methods. Implementations are available at [9] and [17].

Generative models such as denoising diffusion models are quickly advancing their ability to approximate highly complex data distributions. They are also increasingly leveraged in scientific machine learning, where samples from the implied data distribution are expected to adhere to specific governing equations. We present a framework that unifies generative modeling and partial differential equation fulfillment by introducing a first-principle-based loss term that enforces generated samples to fulfill the underlying physical constraints. Our approach reduces the residual error by up to two orders of magnitude compared to previous work in a fluid flow case study and outperforms task-specific frameworks in relevant metrics for structural topology optimization. We also present numerical evidence that our extended training objective acts as a natural regularization mechanism against overfitting. Our framework is simple to implement and versatile in its applicability for imposing equality and inequality constraints as well as auxiliary optimization objectives.

Diffusion Transformers (DiTs) have gained prominence for outstanding scalability and extraordinary performance in generative tasks. However, their considerable inference costs impede practical deployment. The feature cache mechanism, which involves storing and retrieving redundant computations across timesteps, holds promise for reducing per-step inference time in diffusion models. Most existing caching methods for DiT are manually designed. Although the learning-based approach attempts to optimize strategies adaptively, it suffers from discrepancies between training and inference, which hampers both the performance and acceleration ratio. Upon detailed analysis, we pinpoint that these discrepancies primarily stem from two aspects: (1) Prior Timestep Disregard, where training ignores the effect of cache usage at earlier timesteps, and (2) Objective Mismatch, where the training target (align predicted noise in each timestep) deviates from the goal of inference (generate the high-quality image). To alleviate these discrepancies, we propose HarmoniCa, a novel method that Harmonizes training and inference with a novel learning-based Caching framework built upon Step-Wise Denoising Training (SDT) and Image Error Proxy-Guided Objective (IEPO). Compared to the traditional training paradigm, the newly proposed SDT maintains the continuity of the denoising process, enabling the model to leverage information from prior timesteps during training, similar to the way it operates during inference. Furthermore, we design IEPO, which integrates an efficient proxy mechanism to approximate the final image error caused by reusing the cached feature. Therefore, IEPO helps balance final image quality and cache utilization, resolving the issue of training that only considers the impact of cache usage on the predicted output at each timestep.

Super-resolution (SR) and image generation are important tasks in computer vision and are widely adopted in real-world applications. Most existing methods, however, generate images only at fixed-scale magnification and suffer from over-smoothing and artifacts. Additionally, they do not offer enough diversity of output images nor image consistency at different scales. Most relevant work applied Implicit Neural Representation (INR) to the denoising diffusion model to obtain continuous-resolution yet diverse and high-quality SR results. Since this model operates in the image space, the larger the resolution of image is produced, the more memory and inference time is required, and it also does not maintain scale-specific consistency. We propose a novel pipeline that can super-resolve an input image or generate from a random noise a novel image at arbitrary scales. The method consists of a pretrained auto-encoder, a latent diffusion model, and an implicit neural decoder, and their learning strategies. The proposed method adopts diffusion processes in a latent space, thus efficient, yet aligned with output image space decoded by MLPs at arbitrary scales. More specifically, our arbitrary-scale decoder is designed by the symmetric decoder w/o up-scaling from the pretrained auto-encoder, and Local Implicit Image Function (LIIF) in series. The latent diffusion process is learnt by the denoising and the alignment losses jointly. Errors in output images are backpropagated via the fixed decoder, improving the quality of output images. In the extensive experiments using multiple public benchmarks on the two tasks i.e. image super-resolution and novel image generation at arbitrary scales, the proposed method outperforms relevant methods in metrics of image quality, diversity and scale consistency. It is significantly better than the relevant prior-art in the inference speed and memory usage.

We propose Mish, a novel self-regularized non-monotonic activation function which can be mathematically defined as: f(x)=xtanh(softplus(x)). As activation functions play a crucial role in the performance and training dynamics in neural networks, we validated experimentally on several well-known benchmarks against the best combinations of architectures and activation functions. We also observe that data augmentation techniques have a favorable effect on benchmarks like ImageNet-1k and MS-COCO across multiple architectures. For example, Mish outperformed Leaky ReLU on YOLOv4 with a CSP-DarkNet-53 backbone on average precision (AP_{50}^{val}) by 2.1% in MS-COCO object detection and ReLU on ResNet-50 on ImageNet-1k in Top-1 accuracy by approx1% while keeping all other network parameters and hyperparameters constant. Furthermore, we explore the mathematical formulation of Mish in relation with the Swish family of functions and propose an intuitive understanding on how the first derivative behavior may be acting as a regularizer helping the optimization of deep neural networks. Code is publicly available at https://github.com/digantamisra98/Mish.

Optimal transport (OT) theory has been been used in machine learning to study and characterize maps that can push-forward efficiently a probability measure onto another. Recent works have drawn inspiration from Brenier's theorem, which states that when the ground cost is the squared-Euclidean distance, the ``best'' map to morph a continuous measure in P(Rd) into another must be the gradient of a convex function. To exploit that result, [Makkuva+ 2020, Korotin+2020] consider maps T=nabla f_theta, where f_theta is an input convex neural network (ICNN), as defined by Amos+2017, and fit theta with SGD using samples. Despite their mathematical elegance, fitting OT maps with ICNNs raises many challenges, due notably to the many constraints imposed on theta; the need to approximate the conjugate of f_theta; or the limitation that they only work for the squared-Euclidean cost. More generally, we question the relevance of using Brenier's result, which only applies to densities, to constrain the architecture of candidate maps fitted on samples. Motivated by these limitations, we propose a radically different approach to estimating OT maps: Given a cost c and a reference measure rho, we introduce a regularizer, the Monge gap M^c_{rho}(T) of a map T. That gap quantifies how far a map T deviates from the ideal properties we expect from a c-OT map. In practice, we drop all architecture requirements for T and simply minimize a distance (e.g., the Sinkhorn divergence) between Tsharpmu and nu, regularized by M^c_rho(T). We study M^c_{rho}, and show how our simple pipeline outperforms significantly other baselines in practice.

The presence of distribution shifts poses a significant challenge for deploying modern machine learning models in real-world applications. This work focuses on the target shift problem in a regression setting (Zhang et al., 2013; Nguyen et al., 2016). More specifically, the target variable y (also known as the response variable), which is continuous, has different marginal distributions in the training source and testing domain, while the conditional distribution of features x given y remains the same. While most literature focuses on classification tasks with finite target space, the regression problem has an infinite dimensional target space, which makes many of the existing methods inapplicable. In this work, we show that the continuous target shift problem can be addressed by estimating the importance weight function from an ill-posed integral equation. We propose a nonparametric regularized approach named ReTaSA to solve the ill-posed integral equation and provide theoretical justification for the estimated importance weight function. The effectiveness of the proposed method has been demonstrated with extensive numerical studies on synthetic and real-world datasets.

L_2 regularization and weight decay regularization are equivalent for standard stochastic gradient descent (when rescaled by the learning rate), but as we demonstrate this is not the case for adaptive gradient algorithms, such as Adam. While common implementations of these algorithms employ L_2 regularization (often calling it "weight decay" in what may be misleading due to the inequivalence we expose), we propose a simple modification to recover the original formulation of weight decay regularization by decoupling the weight decay from the optimization steps taken w.r.t. the loss function. We provide empirical evidence that our proposed modification (i) decouples the optimal choice of weight decay factor from the setting of the learning rate for both standard SGD and Adam and (ii) substantially improves Adam's generalization performance, allowing it to compete with SGD with momentum on image classification datasets (on which it was previously typically outperformed by the latter). Our proposed decoupled weight decay has already been adopted by many researchers, and the community has implemented it in TensorFlow and PyTorch; the complete source code for our experiments is available at https://github.com/loshchil/AdamW-and-SGDW

Earth system models suffer from various structural and parametric errors in their representation of nonlinear, multi-scale processes, leading to uncertainties in their long-term projections. The effects of many of these errors (particularly those due to fast physics) can be quantified in short-term simulations, e.g., as differences between the predicted and observed states (analysis increments). With the increase in the availability of high-quality observations and simulations, learning nudging from these increments to correct model errors has become an active research area. However, most studies focus on using neural networks, which while powerful, are hard to interpret, are data-hungry, and poorly generalize out-of-distribution. Here, we show the capabilities of Model Error Discovery with Interpretability and Data Assimilation (MEDIDA), a general, data-efficient framework that uses sparsity-promoting equation-discovery techniques to learn model errors from analysis increments. Using two-layer quasi-geostrophic turbulence as the test case, MEDIDA is shown to successfully discover various linear and nonlinear structural/parametric errors when full observations are available. Discovery from spatially sparse observations is found to require highly accurate interpolation schemes. While NNs have shown success as interpolators in recent studies, here, they are found inadequate due to their inability to accurately represent small scales, a phenomenon known as spectral bias. We show that a general remedy, adding a random Fourier feature layer to the NN, resolves this issue enabling MEDIDA to successfully discover model errors from sparse observations. These promising results suggest that with further development, MEDIDA could be scaled up to models of the Earth system and real observations.

To achieve the highest perceptual quality, state-of-the-art diffusion models are optimized with objectives that typically look very different from the maximum likelihood and the Evidence Lower Bound (ELBO) objectives. In this work, we reveal that diffusion model objectives are actually closely related to the ELBO. Specifically, we show that all commonly used diffusion model objectives equate to a weighted integral of ELBOs over different noise levels, where the weighting depends on the specific objective used. Under the condition of monotonic weighting, the connection is even closer: the diffusion objective then equals the ELBO, combined with simple data augmentation, namely Gaussian noise perturbation. We show that this condition holds for a number of state-of-the-art diffusion models. In experiments, we explore new monotonic weightings and demonstrate their effectiveness, achieving state-of-the-art FID scores on the high-resolution ImageNet benchmark.

Convolutional neural networks are capable of learning powerful representational spaces, which are necessary for tackling complex learning tasks. However, due to the model capacity required to capture such representations, they are often susceptible to overfitting and therefore require proper regularization in order to generalize well. In this paper, we show that the simple regularization technique of randomly masking out square regions of input during training, which we call cutout, can be used to improve the robustness and overall performance of convolutional neural networks. Not only is this method extremely easy to implement, but we also demonstrate that it can be used in conjunction with existing forms of data augmentation and other regularizers to further improve model performance. We evaluate this method by applying it to current state-of-the-art architectures on the CIFAR-10, CIFAR-100, and SVHN datasets, yielding new state-of-the-art results of 2.56%, 15.20%, and 1.30% test error respectively. Code is available at https://github.com/uoguelph-mlrg/Cutout

The idea of video super resolution is to use different view points of a single scene to enhance the overall resolution and quality. Classical energy minimization approaches first establish a correspondence of the current frame to all its neighbors in some radius and then use this temporal information for enhancement. In this paper, we propose the first variational super resolution approach that computes several super resolved frames in one batch optimization procedure by incorporating motion information between the high-resolution image frames themselves. As a consequence, the number of motion estimation problems grows linearly in the number of frames, opposed to a quadratic growth of classical methods and temporal consistency is enforced naturally. We use infimal convolution regularization as well as an automatic parameter balancing scheme to automatically determine the reliability of the motion information and reweight the regularization locally. We demonstrate that our approach yields state-of-the-art results and even is competitive with machine learning approaches.

The long-tailed distribution is a common phenomenon in the real world. Extracted large scale image datasets inevitably demonstrate the long-tailed property and models trained with imbalanced data can obtain high performance for the over-represented categories, but struggle for the under-represented categories, leading to biased predictions and performance degradation. To address this challenge, we propose a novel de-biasing method named Inverse Image Frequency (IIF). IIF is a multiplicative margin adjustment transformation of the logits in the classification layer of a convolutional neural network. Our method achieves stronger performance than similar works and it is especially useful for downstream tasks such as long-tailed instance segmentation as it produces fewer false positive detections. Our extensive experiments show that IIF surpasses the state of the art on many long-tailed benchmarks such as ImageNet-LT, CIFAR-LT, Places-LT and LVIS, reaching 55.8% top-1 accuracy with ResNet50 on ImageNet-LT and 26.2% segmentation AP with MaskRCNN on LVIS. Code available at https://github.com/kostas1515/iif

Introduced by Hinton et al. in 2012, dropout has stood the test of time as a regularizer for preventing overfitting in neural networks. In this study, we demonstrate that dropout can also mitigate underfitting when used at the start of training. During the early phase, we find dropout reduces the directional variance of gradients across mini-batches and helps align the mini-batch gradients with the entire dataset's gradient. This helps counteract the stochasticity of SGD and limit the influence of individual batches on model training. Our findings lead us to a solution for improving performance in underfitting models - early dropout: dropout is applied only during the initial phases of training, and turned off afterwards. Models equipped with early dropout achieve lower final training loss compared to their counterparts without dropout. Additionally, we explore a symmetric technique for regularizing overfitting models - late dropout, where dropout is not used in the early iterations and is only activated later in training. Experiments on ImageNet and various vision tasks demonstrate that our methods consistently improve generalization accuracy. Our results encourage more research on understanding regularization in deep learning and our methods can be useful tools for future neural network training, especially in the era of large data. Code is available at https://github.com/facebookresearch/dropout.

Floods wreak havoc throughout the world, causing billions of dollars in damages, and uprooting communities, ecosystems and economies. The NASA Impact Flood Detection competition tasked participants with predicting flooded pixels after training with synthetic aperture radar (SAR) images in a supervised setting. We propose a semi-supervised learning pseudo-labeling scheme that derives confidence estimates from U-Net ensembles, progressively improving accuracy. Concretely, we use a cyclical approach involving multiple stages (1) training an ensemble model of multiple U-Net architectures with the provided high confidence hand-labeled data and, generated pseudo labels or low confidence labels on the entire unlabeled test dataset, and then, (2) filter out quality generated labels and, (3) combine the generated labels with the previously available high confidence hand-labeled dataset. This assimilated dataset is used for the next round of training ensemble models and the cyclical process is repeated until the performance improvement plateaus. We post process our results with Conditional Random Fields. Our approach sets a new state-of-the-art on the Sentinel-1 dataset with 0.7654 IoU, an impressive improvement over the 0.60 IoU baseline. Our method, which we release with all the code and models, can also be used as an open science benchmark for the Sentinel-1 dataset.

Prompt tuning and adapter tuning have shown great potential in transferring pre-trained vision-language models (VLMs) to various downstream tasks. In this work, we design a new type of tuning method, termed as regularized mask tuning, which masks the network parameters through a learnable selection. Inspired by neural pathways, we argue that the knowledge required by a downstream task already exists in the pre-trained weights but just gets concealed in the upstream pre-training stage. To bring the useful knowledge back into light, we first identify a set of parameters that are important to a given downstream task, then attach a binary mask to each parameter, and finally optimize these masks on the downstream data with the parameters frozen. When updating the mask, we introduce a novel gradient dropout strategy to regularize the parameter selection, in order to prevent the model from forgetting old knowledge and overfitting the downstream data. Experimental results on 11 datasets demonstrate the consistent superiority of our method over previous alternatives. It is noteworthy that we manage to deliver 18.73% performance improvement compared to the zero-shot CLIP via masking an average of only 2.56% parameters. Furthermore, our method is synergistic with most existing parameter-efficient tuning methods and can boost the performance on top of them. Project page can be found here (https://wuw2019.github.io/R-AMT/).

Grokking, the sudden generalization that occurs after prolonged overfitting, is a surprising phenomenon challenging our understanding of deep learning. Although significant progress has been made in understanding grokking, the reasons behind the delayed generalization and its dependence on regularization remain unclear. In this work, we argue that without regularization, grokking tasks push models to the edge of numerical stability, introducing floating point errors in the Softmax function, which we refer to as Softmax Collapse (SC). We demonstrate that SC prevents grokking and that mitigating SC enables grokking without regularization. Investigating the root cause of SC, we find that beyond the point of overfitting, the gradients strongly align with what we call the na\"ive loss minimization (NLM) direction. This component of the gradient does not alter the model's predictions but decreases the loss by scaling the logits, typically by scaling the weights along their current direction. We show that this scaling of the logits explains the delay in generalization characteristic of grokking and eventually leads to SC, halting further learning. To validate our hypotheses, we introduce two key contributions that address the challenges in grokking tasks: StableMax, a new activation function that prevents SC and enables grokking without regularization, and perpGrad, a training algorithm that promotes quick generalization in grokking tasks by preventing NLM altogether. These contributions provide new insights into grokking, elucidating its delayed generalization, reliance on regularization, and the effectiveness of existing grokking-inducing methods. Code for this paper is available at https://github.com/LucasPrietoAl/grokking-at-the-edge-of-numerical-stability.

This paper investigates the distinctions between gradient methods applied to non-differentiable functions (NGDMs) and classical gradient descents (GDs) designed for differentiable functions. First, we demonstrate significant differences in the convergence properties of NGDMs compared to GDs, challenging the applicability of the extensive neural network convergence literature based on L-smoothness to non-smooth neural networks. Next, we demonstrate the paradoxical nature of NGDM solutions for L_{1}-regularized problems, showing that increasing the regularization penalty leads to an increase in the L_{1} norm of optimal solutions in NGDMs. Consequently, we show that widely adopted L_{1} penalization-based techniques for network pruning do not yield expected results. Finally, we explore the Edge of Stability phenomenon, indicating its inapplicability even to Lipschitz continuous convex differentiable functions, leaving its relevance to non-convex non-differentiable neural networks inconclusive. Our analysis exposes misguided interpretations of NGDMs in widely referenced papers and texts due to an overreliance on strong smoothness assumptions, emphasizing the necessity for a nuanced understanding of foundational assumptions in the analysis of these systems.

Effective regularization techniques are highly desired in deep learning for alleviating overfitting and improving generalization. This work proposes a new regularization scheme, based on the understanding that the flat local minima of the empirical risk cause the model to generalize better. This scheme is referred to as adversarial model perturbation (AMP), where instead of directly minimizing the empirical risk, an alternative "AMP loss" is minimized via SGD. Specifically, the AMP loss is obtained from the empirical risk by applying the "worst" norm-bounded perturbation on each point in the parameter space. Comparing with most existing regularization schemes, AMP has strong theoretical justifications, in that minimizing the AMP loss can be shown theoretically to favour flat local minima of the empirical risk. Extensive experiments on various modern deep architectures establish AMP as a new state of the art among regularization schemes. Our code is available at https://github.com/hiyouga/AMP-Regularizer.

The success of recent text-to-image diffusion models is largely due to their capacity to be guided by a complex text prompt, which enables users to precisely describe the desired content. However, these models struggle to effectively suppress the generation of undesired content, which is explicitly requested to be omitted from the generated image in the prompt. In this paper, we analyze how to manipulate the text embeddings and remove unwanted content from them. We introduce two contributions, which we refer to as soft-weighted regularization and inference-time text embedding optimization. The first regularizes the text embedding matrix and effectively suppresses the undesired content. The second method aims to further suppress the unwanted content generation of the prompt, and encourages the generation of desired content. We evaluate our method quantitatively and qualitatively on extensive experiments, validating its effectiveness. Furthermore, our method is generalizability to both the pixel-space diffusion models (i.e. DeepFloyd-IF) and the latent-space diffusion models (i.e. Stable Diffusion).

MixUp is a recently proposed data-augmentation scheme, which linearly interpolates a random pair of training examples and correspondingly the one-hot representations of their labels. Training deep neural networks with such additional data is shown capable of significantly improving the predictive accuracy of the current art. The power of MixUp, however, is primarily established empirically and its working and effectiveness have not been explained in any depth. In this paper, we develop an understanding for MixUp as a form of "out-of-manifold regularization", which imposes certain "local linearity" constraints on the model's input space beyond the data manifold. This analysis enables us to identify a limitation of MixUp, which we call "manifold intrusion". In a nutshell, manifold intrusion in MixUp is a form of under-fitting resulting from conflicts between the synthetic labels of the mixed-up examples and the labels of original training data. Such a phenomenon usually happens when the parameters controlling the generation of mixing policies are not sufficiently fine-tuned on the training data. To address this issue, we propose a novel adaptive version of MixUp, where the mixing policies are automatically learned from the data using an additional network and objective function designed to avoid manifold intrusion. The proposed regularizer, AdaMixUp, is empirically evaluated on several benchmark datasets. Extensive experiments demonstrate that AdaMixUp improves upon MixUp when applied to the current art of deep classification models.

Hyperspectral Image (HSI) reconstruction has made gratifying progress with the deep unfolding framework by formulating the problem into a data module and a prior module. Nevertheless, existing methods still face the problem of insufficient matching with HSI data. The issues lie in three aspects: 1) fixed gradient descent step in the data module while the degradation of HSI is agnostic in the pixel-level. 2) inadequate prior module for 3D HSI cube. 3) stage interaction ignoring the differences in features at different stages. To address these issues, in this work, we propose a Pixel Adaptive Deep Unfolding Transformer (PADUT) for HSI reconstruction. In the data module, a pixel adaptive descent step is employed to focus on pixel-level agnostic degradation. In the prior module, we introduce the Non-local Spectral Transformer (NST) to emphasize the 3D characteristics of HSI for recovering. Moreover, inspired by the diverse expression of features in different stages and depths, the stage interaction is improved by the Fast Fourier Transform (FFT). Experimental results on both simulated and real scenes exhibit the superior performance of our method compared to state-of-the-art HSI reconstruction methods. The code is released at: https://github.com/MyuLi/PADUT.

Deep learning models fail on cross-domain challenges if the model is oversensitive to domain-specific attributes, e.g., lightning, background, camera angle, etc. To alleviate this problem, data augmentation coupled with consistency regularization are commonly adopted to make the model less sensitive to domain-specific attributes. Consistency regularization enforces the model to output the same representation or prediction for two views of one image. These constraints, however, are either too strict or not order-preserving for the classification probabilities. In this work, we propose the Order-preserving Consistency Regularization (OCR) for cross-domain tasks. The order-preserving property for the prediction makes the model robust to task-irrelevant transformations. As a result, the model becomes less sensitive to the domain-specific attributes. The comprehensive experiments show that our method achieves clear advantages on five different cross-domain tasks.

Deep learning has been wildly successful in practice and most state-of-the-art machine learning methods are based on neural networks. Lacking, however, is a rigorous mathematical theory that adequately explains the amazing performance of deep neural networks. In this article, we present a relatively new mathematical framework that provides the beginning of a deeper understanding of deep learning. This framework precisely characterizes the functional properties of neural networks that are trained to fit to data. The key mathematical tools which support this framework include transform-domain sparse regularization, the Radon transform of computed tomography, and approximation theory, which are all techniques deeply rooted in signal processing. This framework explains the effect of weight decay regularization in neural network training, the use of skip connections and low-rank weight matrices in network architectures, the role of sparsity in neural networks, and explains why neural networks can perform well in high-dimensional problems.

Pre-training techniques significantly enhance the performance of semantic segmentation tasks with limited training data. However, the efficacy under a large domain gap between pre-training (e.g. RGB) and fine-tuning (e.g. infrared) remains underexplored. In this study, we first benchmark the infrared semantic segmentation performance of various pre-training methods and reveal several phenomena distinct from the RGB domain. Next, our layerwise analysis of pre-trained attention maps uncovers that: (1) There are three typical attention patterns (local, hybrid, and global); (2) Pre-training tasks notably influence the pattern distribution across layers; (3) The hybrid pattern is crucial for semantic segmentation as it attends to both nearby and foreground elements; (4) The texture bias impedes model generalization in infrared tasks. Building on these insights, we propose UNIP, a UNified Infrared Pre-training framework, to enhance the pre-trained model performance. This framework uses the hybrid-attention distillation NMI-HAD as the pre-training target, a large-scale mixed dataset InfMix for pre-training, and a last-layer feature pyramid network LL-FPN for fine-tuning. Experimental results show that UNIP outperforms various pre-training methods by up to 13.5\% in average mIoU on three infrared segmentation tasks, evaluated using fine-tuning and linear probing metrics. UNIP-S achieves performance on par with MAE-L while requiring only 1/10 of the computational cost. Furthermore, UNIP significantly surpasses state-of-the-art (SOTA) infrared or RGB segmentation methods and demonstrates broad potential for application in other modalities, such as RGB and depth. Our code is available at https://github.com/casiatao/UNIP.

Existing techniques for model inversion typically rely on hard-to-tune regularizers, such as total variation or feature regularization, which must be individually calibrated for each network in order to produce adequate images. In this work, we introduce Plug-In Inversion, which relies on a simple set of augmentations and does not require excessive hyper-parameter tuning. Under our proposed augmentation-based scheme, the same set of augmentation hyper-parameters can be used for inverting a wide range of image classification models, regardless of input dimensions or the architecture. We illustrate the practicality of our approach by inverting Vision Transformers (ViTs) and Multi-Layer Perceptrons (MLPs) trained on the ImageNet dataset, tasks which to the best of our knowledge have not been successfully accomplished by any previous works.

Accurate localization and segmentation of intervertebral disc (IVD) is crucial for the assessment of spine disease diagnosis. Despite the technological advances in medical imaging, IVD localization and segmentation are still manually performed, which is time-consuming and prone to errors. If, in addition, multi-modal imaging is considered, the burden imposed on disease assessments increases substantially. In this paper, we propose an architecture for IVD localization and segmentation in multi-modal MRI, which extends the well-known UNet. Compared to single images, multi-modal data brings complementary information, contributing to better data representation and discriminative power. Our contributions are three-fold. First, how to effectively integrate and fully leverage multi-modal data remains almost unexplored. In this work, each MRI modality is processed in a different path to better exploit their unique information. Second, inspired by HyperDenseNet, the network is densely-connected both within each path and across different paths, granting the model the freedom to learn where and how the different modalities should be processed and combined. Third, we improved standard U-Net modules by extending inception modules with two dilated convolutions blocks of different scale, which helps handling multi-scale context. We report experiments over the data set of the public MICCAI 2018 Challenge on Automatic Intervertebral Disc Localization and Segmentation, with 13 multi-modal MRI images used for training and 3 for validation. We trained IVD-Net on an NVidia TITAN XP GPU with 16 GBs RAM, using ADAM as optimizer and a learning rate of 10e-5 during 200 epochs. Training took about 5 hours, and segmentation of a whole volume about 2-3 seconds, on average. Several baselines, with different multi-modal fusion strategies, were used to demonstrate the effectiveness of the proposed architecture.

We propose a method that achieves near-optimal rates for smooth stochastic convex optimization and requires essentially no prior knowledge of problem parameters. This improves on prior work which requires knowing at least the initial distance to optimality d0. Our method, U-DoG, combines UniXGrad (Kavis et al., 2019) and DoG (Ivgi et al., 2023) with novel iterate stabilization techniques. It requires only loose bounds on d0 and the noise magnitude, provides high probability guarantees under sub-Gaussian noise, and is also near-optimal in the non-smooth case. Our experiments show consistent, strong performance on convex problems and mixed results on neural network training.

We tackle the challenging problem of source-free unsupervised domain adaptation (SFUDA) for 3D semantic segmentation. It amounts to performing domain adaptation on an unlabeled target domain without any access to source data; the available information is a model trained to achieve good performance on the source domain. A common issue with existing SFUDA approaches is that performance degrades after some training time, which is a by product of an under-constrained and ill-posed problem. We discuss two strategies to alleviate this issue. First, we propose a sensible way to regularize the learning problem. Second, we introduce a novel criterion based on agreement with a reference model. It is used (1) to stop the training when appropriate and (2) as validator to select hyperparameters without any knowledge on the target domain. Our contributions are easy to implement and readily amenable for all SFUDA methods, ensuring stable improvements over all baselines. We validate our findings on various 3D lidar settings, achieving state-of-the-art performance. The project repository (with code) is: github.com/valeoai/TTYD.

Source separation involves the ill-posed problem of retrieving a set of source signals that have been observed through a mixing operator. Solving this problem requires prior knowledge, which is commonly incorporated by imposing regularity conditions on the source signals, or implicitly learned through supervised or unsupervised methods from existing data. While data-driven methods have shown great promise in source separation, they often require large amounts of data, which rarely exists in planetary space missions. To address this challenge, we propose an unsupervised source separation scheme for domains with limited data access that involves solving an optimization problem in the wavelet scattering covariance representation spacex2014an interpretable, low-dimensional representation of stationary processes. We present a real-data example in which we remove transient, thermally-induced microtiltsx2014known as glitchesx2014from data recorded by a seismometer during NASA's InSight mission on Mars. Thanks to the wavelet scattering covariances' ability to capture non-Gaussian properties of stochastic processes, we are able to separate glitches using only a few glitch-free data snippets.

Diffusion Magnetic Resonance Imaging (dMRI) plays a crucial role in the noninvasive investigation of tissue microstructural properties and structural connectivity in the in vivo human brain. However, to effectively capture the intricate characteristics of water diffusion at various directions and scales, it is important to employ comprehensive q-space sampling. Unfortunately, this requirement leads to long scan times, limiting the clinical applicability of dMRI. To address this challenge, we propose SSOR, a Simultaneous q-Space sampling Optimization and Reconstruction framework. We jointly optimize a subset of q-space samples using a continuous representation of spherical harmonic functions and a reconstruction network. Additionally, we integrate the unique properties of diffusion magnetic resonance imaging (dMRI) in both the q-space and image domains by applying l1-norm and total-variation regularization. The experiments conducted on HCP data demonstrate that SSOR has promising strengths both quantitatively and qualitatively and exhibits robustness to noise.

As the parameters of LLMs expand, the computational cost of fine-tuning the entire model becomes prohibitive. To address this challenge, we introduce a PEFT method, Principal Singular values and Singular vectors Adaptation (PiSSA), which optimizes a significantly reduced parameter space while achieving or surpassing the performance of full-parameter fine-tuning. PiSSA is inspired by Intrinsic SAID, which suggests that pre-trained, over-parametrized models inhabit a space of low intrinsic dimension. Consequently, PiSSA represents a matrix W within the model by the product of two trainable matrices A and B, plus a residual matrix W^{res} for error correction. SVD is employed to factorize W, and the principal singular values and vectors of W are utilized to initialize A and B. The residual singular values and vectors initialize the residual matrix W^{res}, which keeps frozen during fine-tuning. Notably, PiSSA shares the same architecture with LoRA. However, LoRA approximates Delta W through the product of two matrices, A, initialized with Gaussian noise, and B, initialized with zeros, while PiSSA initializes A and B with principal singular values and vectors of the original matrix W. PiSSA can better approximate the outcomes of full-parameter fine-tuning at the beginning by changing the essential parts while freezing the "noisy" parts. In comparison, LoRA freezes the original matrix and updates the "noise". This distinction enables PiSSA to convergence much faster than LoRA and also achieve better performance in the end. Due to the same architecture, PiSSA inherits many of LoRA's advantages, such as parameter efficiency and compatibility with quantization. Leveraging a fast SVD method, the initialization of PiSSA takes only a few seconds, inducing negligible cost of switching LoRA to PiSSA.

Conditional normalizing flows can generate diverse image samples for solving inverse problems. Most normalizing flows for inverse problems in imaging employ the conditional affine coupling layer that can generate diverse images quickly. However, unintended severe artifacts are occasionally observed in the output of them. In this work, we address this critical issue by investigating the origins of these artifacts and proposing the conditions to avoid them. First of all, we empirically and theoretically reveal that these problems are caused by "exploding inverse" in the conditional affine coupling layer for certain out-of-distribution (OOD) conditional inputs. Then, we further validated that the probability of causing erroneous artifacts in pixels is highly correlated with a Mahalanobis distance-based OOD score for inverse problems in imaging. Lastly, based on our investigations, we propose a remark to avoid exploding inverse and then based on it, we suggest a simple remedy that substitutes the affine coupling layers with the modified rational quadratic spline coupling layers in normalizing flows, to encourage the robustness of generated image samples. Our experimental results demonstrated that our suggested methods effectively suppressed critical artifacts occurring in normalizing flows for super-resolution space generation and low-light image enhancement.

Solving parametric partial differential equations (PDEs) and associated PDE-based, inverse problems is a central task in engineering and physics, yet existing neural operator methods struggle with high-dimensional, discontinuous inputs and require large amounts of {\em labeled} training data. We propose the Deep Generative Neural Operator (DGNO), a physics-aware framework that addresses these challenges by leveraging a deep, generative, probabilistic model in combination with a set of lower-dimensional, latent variables that simultaneously encode PDE-inputs and PDE-outputs. This formulation can make use of unlabeled data and significantly improves inverse problem-solving, particularly for discontinuous or discrete-valued input functions. DGNO enforces physics constraints without labeled data by incorporating as virtual observables, weak-form residuals based on compactly supported radial basis functions (CSRBFs). These relax regularity constraints and eliminate higher-order derivatives from the objective function. We also introduce MultiONet, a novel neural operator architecture, which is a more expressive generalization of the popular DeepONet that significantly enhances the approximating power of the proposed model. These innovations make DGNO particularly effective for challenging forward and inverse, PDE-based problems, such as those involving multi-phase media. Numerical experiments demonstrate that DGNO achieves higher accuracy across multiple benchmarks while exhibiting robustness to noise and strong generalization to out-of-distribution cases. Its adaptability, and the ability to handle sparse, noisy data while providing probabilistic estimates, make DGNO a powerful tool for scientific and engineering applications.

Multimodal machine learning has achieved remarkable progress in a wide range of scenarios. However, the reliability of multimodal learning remains largely unexplored. In this paper, through extensive empirical studies, we identify current multimodal classification methods suffer from unreliable predictive confidence that tend to rely on partial modalities when estimating confidence. Specifically, we find that the confidence estimated by current models could even increase when some modalities are corrupted. To address the issue, we introduce an intuitive principle for multimodal learning, i.e., the confidence should not increase when one modality is removed. Accordingly, we propose a novel regularization technique, i.e., Calibrating Multimodal Learning (CML) regularization, to calibrate the predictive confidence of previous methods. This technique could be flexibly equipped by existing models and improve the performance in terms of confidence calibration, classification accuracy, and model robustness.

In this paper we study the effects of quantization in DNN training. We hypothesize that weight quantization is a form of regularization and the amount of regularization is correlated with the quantization level (precision). We confirm our hypothesis by providing analytical study and empirical results. By modeling weight quantization as a form of additive noise to weights, we explore how this noise propagates through the network at training time. We then show that the magnitude of this noise is correlated with the level of quantization. To confirm our analytical study, we performed an extensive list of experiments summarized in this paper in which we show that the regularization effects of quantization can be seen in various vision tasks and models, over various datasets. Based on our study, we propose that 8-bit quantization provides a reliable form of regularization in different vision tasks and models.

The remarkable success of large language pretraining and the discovery of scaling laws signify a paradigm shift in machine learning. Notably, the primary objective has evolved from minimizing generalization error to reducing approximation error, and the most effective strategy has transitioned from regularization (in a broad sense) to scaling up models. This raises a critical question: Do the established principles that proved successful in the generalization-centric era remain valid in this new era of scaling? This paper examines several influential regularization-based principles that may no longer hold true in the scaling-centric, large language model (LLM) era. These principles include explicit L2 regularization and implicit regularization through small batch sizes and large learning rates. Additionally, we identify a new phenomenon termed ``scaling law crossover,'' where two scaling curves intersect at a certain scale, implying that methods effective at smaller scales may not generalize to larger ones. Together, these observations highlight two fundamental questions within this new paradigm: bullet Guiding Principles for Scaling: If regularization is no longer the primary guiding principle for model design, what new principles are emerging to guide scaling? bullet Model Comparison at Scale: How to reliably and effectively compare models at the scale where only a single experiment is feasible?

The Sharpness Aware Minimization (SAM) optimization algorithm has been shown to control large eigenvalues of the loss Hessian and provide generalization benefits in a variety of settings. The original motivation for SAM was a modified loss function which penalized sharp minima; subsequent analyses have also focused on the behavior near minima. However, our work reveals that SAM provides a strong regularization of the eigenvalues throughout the learning trajectory. We show that in a simplified setting, SAM dynamically induces a stabilization related to the edge of stability (EOS) phenomenon observed in large learning rate gradient descent. Our theory predicts the largest eigenvalue as a function of the learning rate and SAM radius parameters. Finally, we show that practical models can also exhibit this EOS stabilization, and that understanding SAM must account for these dynamics far away from any minima.

We present EGN, a stochastic second-order optimization algorithm that combines the generalized Gauss-Newton (GN) Hessian approximation with low-rank linear algebra to compute the descent direction. Leveraging the Duncan-Guttman matrix identity, the parameter update is obtained by factorizing a matrix which has the size of the mini-batch. This is particularly advantageous for large-scale machine learning problems where the dimension of the neural network parameter vector is several orders of magnitude larger than the batch size. Additionally, we show how improvements such as line search, adaptive regularization, and momentum can be seamlessly added to EGN to further accelerate the algorithm. Moreover, under mild assumptions, we prove that our algorithm converges to an epsilon-stationary point at a linear rate. Finally, our numerical experiments demonstrate that EGN consistently exceeds, or at most matches the generalization performance of well-tuned SGD, Adam, and SGN optimizers across various supervised and reinforcement learning tasks.

Parameter-efficient fine-tuning optimizes large, pre-trained foundation models by updating a subset of parameters; in this class, Low-Rank Adaptation (LoRA) is particularly effective. Inspired by an effort to investigate the different roles of LoRA matrices during fine-tuning, this paper characterizes and leverages unexpected asymmetry in the importance of low-rank adapter matrices. Specifically, when updating the parameter matrices of a neural network by adding a product BA, we observe that the B and A matrices have distinct functions: A extracts features from the input, while B uses these features to create the desired output. Based on this observation, we demonstrate that fine-tuning B is inherently more effective than fine-tuning A, and that a random untrained A should perform nearly as well as a fine-tuned one. Using an information-theoretic lens, we also bound the generalization of low-rank adapters, showing that the parameter savings of exclusively training B improves the bound. We support our conclusions with experiments on RoBERTa, BART-Large, LLaMA-2, and ViTs.

Recent works have shown that by using large pre-trained models along with learnable prompts, rehearsal-free methods for class-incremental learning (CIL) settings can achieve superior performance to prominent rehearsal-based ones. Rehearsal-free CIL methods struggle with distinguishing classes from different tasks, as those are not trained together. In this work we propose a regularization method based on virtual outliers to tighten decision boundaries of the classifier, such that confusion of classes among different tasks is mitigated. Recent prompt-based methods often require a pool of task-specific prompts, in order to prevent overwriting knowledge of previous tasks with that of the new task, leading to extra computation in querying and composing an appropriate prompt from the pool. This additional cost can be eliminated, without sacrificing accuracy, as we reveal in the paper. We illustrate that a simplified prompt-based method can achieve results comparable to previous state-of-the-art (SOTA) methods equipped with a prompt pool, using much less learnable parameters and lower inference cost. Our regularization method has demonstrated its compatibility with different prompt-based methods, boosting those previous SOTA rehearsal-free CIL methods' accuracy on the ImageNet-R and CIFAR-100 benchmarks. Our source code is available at https://github.com/jpmorganchase/ovor.

Large foundation models are becoming ubiquitous, but training them from scratch is prohibitively expensive. Thus, efficiently adapting these powerful models to downstream tasks is increasingly important. In this paper, we study a principled finetuning paradigm -- Orthogonal Finetuning (OFT) -- for downstream task adaptation. Despite demonstrating good generalizability, OFT still uses a fairly large number of trainable parameters due to the high dimensionality of orthogonal matrices. To address this, we start by examining OFT from an information transmission perspective, and then identify a few key desiderata that enable better parameter-efficiency. Inspired by how the Cooley-Tukey fast Fourier transform algorithm enables efficient information transmission, we propose an efficient orthogonal parameterization using butterfly structures. We apply this parameterization to OFT, creating a novel parameter-efficient finetuning method, called Orthogonal Butterfly (BOFT). By subsuming OFT as a special case, BOFT introduces a generalized orthogonal finetuning framework. Finally, we conduct an extensive empirical study of adapting large vision transformers, large language models, and text-to-image diffusion models to various downstream tasks in vision and language.

The rapid advancement in large language models (LLMs) comes with a significant increase in their parameter size, presenting challenges for adaptation and fine-tuning. Parameter-efficient fine-tuning (PEFT) methods are widely used to adapt LLMs for downstream tasks efficiently. In this paper, we propose Singular Values and Orthonormal Regularized Singular Vectors Adaptation, or SORSA, a novel PEFT method. We introduce a method to analyze the variation of the parameters by performing singular value decomposition (SVD) and discuss and analyze SORSA's superiority in minimizing the alteration in the SVD aspect. Each SORSA adapter consists of two main parts: trainable principal singular weights W_p = U_p Sigma_p V^top_p, and frozen residual weights W_r = U_r Sigma_r V^top_r. These parts are initialized by performing SVD on pre-trained weights. Moreover, we implement and analyze an orthonormal regularizer, which could effectively transfer the scaling information into Sigma_p and ultimately allows the training process to be more efficient. SORSA adapters could be merged during inference, thus eliminating any inference latency. After all, SORSA shows a faster convergence than PiSSA and LoRA in our experiments. On the MATH benchmark, Llama 2 7B adapted using SORSA achieved 10.36% accuracy, outperforming LoRA (5.50%), Full FT (7.22%), and PiSSA (7.44%). On the GSM-8K benchmark, SORSA achieved 56.03% accuracy, surpassing LoRA (42.30%), Full FT (49.05%), and PiSSA (53.07%). We conclude that SORSA offers a new perspective on parameter-efficient fine-tuning, demonstrating remarkable performance. The code is available at https://github.com/Gunale0926/SORSA.

In this paper, we introduce YONOS-SR, a novel stable diffusion-based approach for image super-resolution that yields state-of-the-art results using only a single DDIM step. We propose a novel scale distillation approach to train our SR model. Instead of directly training our SR model on the scale factor of interest, we start by training a teacher model on a smaller magnification scale, thereby making the SR problem simpler for the teacher. We then train a student model for a higher magnification scale, using the predictions of the teacher as a target during the training. This process is repeated iteratively until we reach the target scale factor of the final model. The rationale behind our scale distillation is that the teacher aids the student diffusion model training by i) providing a target adapted to the current noise level rather than using the same target coming from ground truth data for all noise levels and ii) providing an accurate target as the teacher has a simpler task to solve. We empirically show that the distilled model significantly outperforms the model trained for high scales directly, specifically with few steps during inference. Having a strong diffusion model that requires only one step allows us to freeze the U-Net and fine-tune the decoder on top of it. We show that the combination of spatially distilled U-Net and fine-tuned decoder outperforms state-of-the-art methods requiring 200 steps with only one single step.

Image super-resolution (SR) has witnessed extensive neural network designs from CNN to transformer architectures. However, prevailing SR models suffer from prohibitive memory footprint and intensive computations, which limits further deployment on edge devices. This work investigates the potential of network pruning for super-resolution to take advantage of off-the-shelf network designs and reduce the underlying computational overhead. Two main challenges remain in applying pruning methods for SR. First, the widely-used filter pruning technique reflects limited granularity and restricted adaptability to diverse network structures. Second, existing pruning methods generally operate upon a pre-trained network for the sparse structure determination, hard to get rid of dense model training in the traditional SR paradigm. To address these challenges, we adopt unstructured pruning with sparse models directly trained from scratch. Specifically, we propose a novel Iterative Soft Shrinkage-Percentage (ISS-P) method by optimizing the sparse structure of a randomly initialized network at each iteration and tweaking unimportant weights with a small amount proportional to the magnitude scale on-the-fly. We observe that the proposed ISS-P can dynamically learn sparse structures adapting to the optimization process and preserve the sparse model's trainability by yielding a more regularized gradient throughput. Experiments on benchmark datasets demonstrate the effectiveness of the proposed ISS-P over diverse network architectures. Code is available at https://github.com/Jiamian-Wang/Iterative-Soft-Shrinkage-SR

It is impossible today to pretend that the practice of machine learning is compatible with the idea that training and testing data follow the same distribution. Several authors have recently used ensemble techniques to show how scenarios involving multiple data distributions are best served by representations that are both richer than those obtained by regularizing for the best in-distribution performance, and richer than those obtained under the influence of the implicit sparsity bias of common stochastic gradient procedures. This contribution investigates the use of very high dropout rates instead of ensembles to obtain such rich representations. Although training a deep network from scratch using such dropout rates is virtually impossible, fine-tuning a large pre-trained model under such conditions is not only possible but also achieves out-of-distribution performances that exceed those of both ensembles and weight averaging methods such as model soups. This result has practical significance because the importance of the fine-tuning scenario has considerably grown in recent years. This result also provides interesting insights on the nature of rich representations and on the intrinsically linear nature of fine-tuning a large network using a comparatively small dataset.

Catastrophic forgetting is a significant challenge in online continual learning (OCL), especially for non-stationary data streams that do not have well-defined task boundaries. This challenge is exacerbated by the memory constraints and privacy concerns inherent in rehearsal buffers. To tackle catastrophic forgetting, in this paper, we introduce Online-LoRA, a novel framework for task-free OCL. Online-LoRA allows to finetune pre-trained Vision Transformer (ViT) models in real-time to address the limitations of rehearsal buffers and leverage pre-trained models' performance benefits. As the main contribution, our approach features a novel online weight regularization strategy to identify and consolidate important model parameters. Moreover, Online-LoRA leverages the training dynamics of loss values to enable the automatic recognition of the data distribution shifts. Extensive experiments across many task-free OCL scenarios and benchmark datasets (including CIFAR-100, ImageNet-R, ImageNet-S, CUB-200 and CORe50) demonstrate that Online-LoRA can be robustly adapted to various ViT architectures, while achieving better performance compared to SOTA methods. Our code will be publicly available at: https://github.com/Christina200/Online-LoRA-official.git.

The capacity of a modern deep learning system to determine if a sample falls within its realm of knowledge is fundamental and important. In this paper, we offer insights and analyses of recent state-of-the-art out-of-distribution (OOD) detection methods - extremely simple activation shaping (ASH). We demonstrate that activation pruning has a detrimental effect on OOD detection, while activation scaling enhances it. Moreover, we propose SCALE, a simple yet effective post-hoc network enhancement method for OOD detection, which attains state-of-the-art OOD detection performance without compromising in-distribution (ID) accuracy. By integrating scaling concepts into the training process to capture a sample's ID characteristics, we propose Intermediate Tensor SHaping (ISH), a lightweight method for training time OOD detection enhancement. We achieve AUROC scores of +1.85\% for near-OOD and +0.74\% for far-OOD datasets on the OpenOOD v1.5 ImageNet-1K benchmark. Our code and models are available at https://github.com/kai422/SCALE.

This study presents a new image super-resolution (SR) technique based on diffusion inversion, aiming at harnessing the rich image priors encapsulated in large pre-trained diffusion models to improve SR performance. We design a Partial noise Prediction strategy to construct an intermediate state of the diffusion model, which serves as the starting sampling point. Central to our approach is a deep noise predictor to estimate the optimal noise maps for the forward diffusion process. Once trained, this noise predictor can be used to initialize the sampling process partially along the diffusion trajectory, generating the desirable high-resolution result. Compared to existing approaches, our method offers a flexible and efficient sampling mechanism that supports an arbitrary number of sampling steps, ranging from one to five. Even with a single sampling step, our method demonstrates superior or comparable performance to recent state-of-the-art approaches. The code and model are publicly available at https://github.com/zsyOAOA/InvSR.

Many recent datasets contain a variety of different data modalities, for instance, image, question, and answer data in visual question answering (VQA). When training deep net classifiers on those multi-modal datasets, the modalities get exploited at different scales, i.e., some modalities can more easily contribute to the classification results than others. This is suboptimal because the classifier is inherently biased towards a subset of the modalities. To alleviate this shortcoming, we propose a novel regularization term based on the functional entropy. Intuitively, this term encourages to balance the contribution of each modality to the classification result. However, regularization with the functional entropy is challenging. To address this, we develop a method based on the log-Sobolev inequality, which bounds the functional entropy with the functional-Fisher-information. Intuitively, this maximizes the amount of information that the modalities contribute. On the two challenging multi-modal datasets VQA-CPv2 and SocialIQ, we obtain state-of-the-art results while more uniformly exploiting the modalities. In addition, we demonstrate the efficacy of our method on Colored MNIST.

Vision Transformer models trained on large-scale datasets, although effective, often exhibit artifacts in the patch token they extract. While such defects can be alleviated by re-training the entire model with additional classification tokens, the underlying reasons for the presence of these tokens remain unclear. In this paper, we conduct a thorough investigation of this phenomenon, combining theoretical analysis with empirical observations. Our findings reveal that these artifacts originate from the pre-trained network itself, specifically stemming from the leading left singular vector of the network's weights. Furthermore, to mitigate these defects, we propose a novel fine-tuning smooth regularization that rectifies structural deficiencies using only a small dataset, thereby avoiding the need for complete re-training. We validate our method on various downstream tasks, including unsupervised segmentation, classification, supervised segmentation, and depth estimation, demonstrating its effectiveness in improving model performance. Codes and checkpoints are available at https://github.com/haoqiwang/sinder.

The visual models pretrained on large-scale benchmarks encode general knowledge and prove effective in building more powerful representations for downstream tasks. Most existing approaches follow the fine-tuning paradigm, either by initializing or regularizing the downstream model based on the pretrained one. The former fails to retain the knowledge in the successive fine-tuning phase, thereby prone to be over-fitting, and the latter imposes strong constraints to the weights or feature maps of the downstream model without considering semantic drift, often incurring insufficient optimization. To deal with these issues, we propose a novel fine-tuning framework, namely distribution regularization with semantic calibration (DR-Tune). It employs distribution regularization by enforcing the downstream task head to decrease its classification error on the pretrained feature distribution, which prevents it from over-fitting while enabling sufficient training of downstream encoders. Furthermore, to alleviate the interference by semantic drift, we develop the semantic calibration (SC) module to align the global shape and class centers of the pretrained and downstream feature distributions. Extensive experiments on widely used image classification datasets show that DR-Tune consistently improves the performance when combing with various backbones under different pretraining strategies. Code is available at: https://github.com/weeknan/DR-Tune.

We identify and formalize a fundamental gradient descent phenomenon resulting in a learning proclivity in over-parameterized neural networks. Gradient Starvation arises when cross-entropy loss is minimized by capturing only a subset of features relevant for the task, despite the presence of other predictive features that fail to be discovered. This work provides a theoretical explanation for the emergence of such feature imbalance in neural networks. Using tools from Dynamical Systems theory, we identify simple properties of learning dynamics during gradient descent that lead to this imbalance, and prove that such a situation can be expected given certain statistical structure in training data. Based on our proposed formalism, we develop guarantees for a novel regularization method aimed at decoupling feature learning dynamics, improving accuracy and robustness in cases hindered by gradient starvation. We illustrate our findings with simple and real-world out-of-distribution (OOD) generalization experiments.

We present the first framework to solve linear inverse problems leveraging pre-trained latent diffusion models. Previously proposed algorithms (such as DPS and DDRM) only apply to pixel-space diffusion models. We theoretically analyze our algorithm showing provable sample recovery in a linear model setting. The algorithmic insight obtained from our analysis extends to more general settings often considered in practice. Experimentally, we outperform previously proposed posterior sampling algorithms in a wide variety of problems including random inpainting, block inpainting, denoising, deblurring, destriping, and super-resolution.

Large-scale, pre-trained Text-to-Image (T2I) diffusion models have gained significant popularity in image generation tasks and have shown unexpected potential in image Super-Resolution (SR). However, most existing T2I diffusion models are trained with a resolution limit of 512x512, making scaling beyond this resolution an unresolved but necessary challenge for image SR. In this work, we introduce a novel approach that, for the first time, enables these models to generate 2K, 4K, and even 8K images without any additional training. Our method leverages MultiDiffusion, which distributes the generation across multiple diffusion paths to ensure global coherence at larger scales, and local degradation-aware prompt extraction, which guides the T2I model to reconstruct fine local structures according to its low-resolution input. These innovations unlock higher resolutions, allowing T2I diffusion models to be applied to image SR tasks without limitation on resolution.

Continual learning aims to learn a model from a continuous stream of data, but it mainly assumes a fixed number of data and tasks with clear task boundaries. However, in real-world scenarios, the number of input data and tasks is constantly changing in a statistical way, not a static way. Although recently introduced incremental learning scenarios having blurry task boundaries somewhat address the above issues, they still do not fully reflect the statistical properties of real-world situations because of the fixed ratio of disjoint and blurry samples. In this paper, we propose a new Stochastic incremental Blurry task boundary scenario, called Si-Blurry, which reflects the stochastic properties of the real-world. We find that there are two major challenges in the Si-Blurry scenario: (1) inter- and intra-task forgettings and (2) class imbalance problem. To alleviate them, we introduce Mask and Visual Prompt tuning (MVP). In MVP, to address the inter- and intra-task forgetting issues, we propose a novel instance-wise logit masking and contrastive visual prompt tuning loss. Both of them help our model discern the classes to be learned in the current batch. It results in consolidating the previous knowledge. In addition, to alleviate the class imbalance problem, we introduce a new gradient similarity-based focal loss and adaptive feature scaling to ease overfitting to the major classes and underfitting to the minor classes. Extensive experiments show that our proposed MVP significantly outperforms the existing state-of-the-art methods in our challenging Si-Blurry scenario.

The field of 3D reconstruction from images has rapidly evolved in the past few years, first with the introduction of Neural Radiance Field (NeRF) and more recently with 3D Gaussian Splatting (3DGS). The latter provides a significant edge over NeRF in terms of the training and inference speed, as well as the reconstruction quality. Although 3DGS works well for dense input images, the unstructured point-cloud like representation quickly overfits to the more challenging setup of extremely sparse input images (e.g., 3 images), creating a representation that appears as a jumble of needles from novel views. To address this issue, we propose regularized optimization and depth-based initialization. Our key idea is to introduce a structured Gaussian representation that can be controlled in 2D image space. We then constraint the Gaussians, in particular their position, and prevent them from moving independently during optimization. Specifically, we introduce single and multiview constraints through an implicit convolutional decoder and a total variation loss, respectively. With the coherency introduced to the Gaussians, we further constrain the optimization through a flow-based loss function. To support our regularized optimization, we propose an approach to initialize the Gaussians using monocular depth estimates at each input view. We demonstrate significant improvements compared to the state-of-the-art sparse-view NeRF-based approaches on a variety of scenes.

Unsupervised learning with functional data is an emerging paradigm of machine learning research with applications to computer vision, climate modeling and physical systems. A natural way of modeling functional data is by learning operators between infinite dimensional spaces, leading to discretization invariant representations that scale independently of the sample grid resolution. Here we present Variational Autoencoding Neural Operators (VANO), a general strategy for making a large class of operator learning architectures act as variational autoencoders. For this purpose, we provide a novel rigorous mathematical formulation of the variational objective in function spaces for training. VANO first maps an input function to a distribution over a latent space using a parametric encoder and then decodes a sample from the latent distribution to reconstruct the input, as in classic variational autoencoders. We test VANO with different model set-ups and architecture choices for a variety of benchmarks. We start from a simple Gaussian random field where we can analytically track what the model learns and progressively transition to more challenging benchmarks including modeling phase separation in Cahn-Hilliard systems and real world satellite data for measuring Earth surface deformation.

Optimizing neural networks with loss that contain high-dimensional and high-order differential operators is expensive to evaluate with back-propagation due to O(d^{k}) scaling of the derivative tensor size and the O(2^{k-1}L) scaling in the computation graph, where d is the dimension of the domain, L is the number of ops in the forward computation graph, and k is the derivative order. In previous works, the polynomial scaling in d was addressed by amortizing the computation over the optimization process via randomization. Separately, the exponential scaling in k for univariate functions (d=1) was addressed with high-order auto-differentiation (AD). In this work, we show how to efficiently perform arbitrary contraction of the derivative tensor of arbitrary order for multivariate functions, by properly constructing the input tangents to univariate high-order AD, which can be used to efficiently randomize any differential operator. When applied to Physics-Informed Neural Networks (PINNs), our method provides >1000times speed-up and >30times memory reduction over randomization with first-order AD, and we can now solve 1-million-dimensional PDEs in 8 minutes on a single NVIDIA A100 GPU. This work opens the possibility of using high-order differential operators in large-scale problems.

Diffusion models have emerged as a key pillar of foundation models in visual domains. One of their critical applications is to universally solve different downstream inverse tasks via a single diffusion prior without re-training for each task. Most inverse tasks can be formulated as inferring a posterior distribution over data (e.g., a full image) given a measurement (e.g., a masked image). This is however challenging in diffusion models since the nonlinear and iterative nature of the diffusion process renders the posterior intractable. To cope with this challenge, we propose a variational approach that by design seeks to approximate the true posterior distribution. We show that our approach naturally leads to regularization by denoising diffusion process (RED-Diff) where denoisers at different timesteps concurrently impose different structural constraints over the image. To gauge the contribution of denoisers from different timesteps, we propose a weighting mechanism based on signal-to-noise-ratio (SNR). Our approach provides a new variational perspective for solving inverse problems with diffusion models, allowing us to formulate sampling as stochastic optimization, where one can simply apply off-the-shelf solvers with lightweight iterates. Our experiments for image restoration tasks such as inpainting and superresolution demonstrate the strengths of our method compared with state-of-the-art sampling-based diffusion models.

Reliable out-of-distribution (OOD) detection is fundamental to implementing safer modern machine learning (ML) systems. In this paper, we introduce Igeood, an effective method for detecting OOD samples. Igeood applies to any pre-trained neural network, works under various degrees of access to the ML model, does not require OOD samples or assumptions on the OOD data but can also benefit (if available) from OOD samples. By building on the geodesic (Fisher-Rao) distance between the underlying data distributions, our discriminator can combine confidence scores from the logits outputs and the learned features of a deep neural network. Empirically, we show that Igeood outperforms competing state-of-the-art methods on a variety of network architectures and datasets.

Implicit Neural Representation (INR), leveraging a neural network to transform coordinate input into corresponding attributes, has recently driven significant advances in several vision-related domains. However, the performance of INR is heavily influenced by the choice of the nonlinear activation function used in its multilayer perceptron (MLP) architecture. Multiple nonlinearities have been investigated; yet, current INRs face limitations in capturing high-frequency components, diverse signal types, and handling inverse problems. We have identified that these problems can be greatly alleviated by introducing a paradigm shift in INRs. We find that an architecture with learnable activations in initial layers can represent fine details in the underlying signals. Specifically, we propose SL^{2}A-INR, a hybrid network for INR with a single-layer learnable activation function, prompting the effectiveness of traditional ReLU-based MLPs. Our method performs superior across diverse tasks, including image representation, 3D shape reconstructions, inpainting, single image super-resolution, CT reconstruction, and novel view synthesis. Through comprehensive experiments, SL^{2}A-INR sets new benchmarks in accuracy, quality, and convergence rates for INR.

Network systems form the foundation of modern society, playing a critical role in various applications. However, these systems are at significant risk of being adversely affected by unforeseen circumstances, such as disasters. Considering this, there is a pressing need for research to enhance the robustness of network systems. Recently, in reinforcement learning, the relationship between acquiring robustness and regularizing entropy has been identified. Additionally, imitation learning is used within this framework to reflect experts' behavior. However, there are no comprehensive studies on the use of a similar imitation framework for optimal transport on networks. Therefore, in this study, imitation-regularized optimal transport (I-OT) on networks was investigated. It encodes prior knowledge on the network by imitating a given prior distribution. The I-OT solution demonstrated robustness in terms of the cost defined on the network. Moreover, we applied the I-OT to a logistics planning problem using real data. We also examined the imitation and apriori risk information scenarios to demonstrate the usefulness and implications of the proposed method.

Self-supervised Learning (SSL) aims to learn transferable feature representations for downstream applications without relying on labeled data. The Barlow Twins algorithm, renowned for its widespread adoption and straightforward implementation compared to its counterparts like contrastive learning methods, minimizes feature redundancy while maximizing invariance to common corruptions. Optimizing for the above objective forces the network to learn useful representations, while avoiding noisy or constant features, resulting in improved downstream task performance with limited adaptation. Despite Barlow Twins' proven effectiveness in pre-training, the underlying SSL objective can inadvertently cause feature overfitting due to the lack of strong interaction between the samples unlike the contrastive learning approaches. From our experiments, we observe that optimizing for the Barlow Twins objective doesn't necessarily guarantee sustained improvements in representation quality beyond a certain pre-training phase, and can potentially degrade downstream performance on some datasets. To address this challenge, we introduce Mixed Barlow Twins, which aims to improve sample interaction during Barlow Twins training via linearly interpolated samples. This results in an additional regularization term to the original Barlow Twins objective, assuming linear interpolation in the input space translates to linearly interpolated features in the feature space. Pre-training with this regularization effectively mitigates feature overfitting and further enhances the downstream performance on CIFAR-10, CIFAR-100, TinyImageNet, STL-10, and ImageNet datasets. The code and checkpoints are available at: https://github.com/wgcban/mix-bt.git

Reconstructing high-resolution (HR) images from low-resolution (LR) inputs poses a significant challenge in image super-resolution (SR). While recent approaches have demonstrated the efficacy of intricate operations customized for various objectives, the straightforward stacking of these disparate operations can result in a substantial computational burden, hampering their practical utility. In response, we introduce SeemoRe, an efficient SR model employing expert mining. Our approach strategically incorporates experts at different levels, adopting a collaborative methodology. At the macro scale, our experts address rank-wise and spatial-wise informative features, providing a holistic understanding. Subsequently, the model delves into the subtleties of rank choice by leveraging a mixture of low-rank experts. By tapping into experts specialized in distinct key factors crucial for accurate SR, our model excels in uncovering intricate intra-feature details. This collaborative approach is reminiscent of the concept of "see more", allowing our model to achieve an optimal performance with minimal computational costs in efficient settings. The source will be publicly made available at https://github.com/eduardzamfir/seemoredetails

Masked Image Modeling (MIM) has emerged as a promising method for deriving visual representations from unlabeled image data by predicting missing pixels from masked portions of images. It excels in region-aware learning and provides strong initializations for various tasks, but struggles to capture high-level semantics without further supervised fine-tuning, likely due to the low-level nature of its pixel reconstruction objective. A promising yet unrealized framework is learning representations through masked reconstruction in latent space, combining the locality of MIM with the high-level targets. However, this approach poses significant training challenges as the reconstruction targets are learned in conjunction with the model, potentially leading to trivial or suboptimal solutions.Our study is among the first to thoroughly analyze and address the challenges of such framework, which we refer to as Latent MIM. Through a series of carefully designed experiments and extensive analysis, we identify the source of these challenges, including representation collapsing for joint online/target optimization, learning objectives, the high region correlation in latent space and decoding conditioning. By sequentially addressing these issues, we demonstrate that Latent MIM can indeed learn high-level representations while retaining the benefits of MIM models.

Given the ever-increasing size of modern neural networks, the significance of sparse architectures has surged due to their accelerated inference speeds and minimal memory demands. When it comes to global pruning techniques, Iterative Magnitude Pruning (IMP) still stands as a state-of-the-art algorithm despite its simple nature, particularly in extremely sparse regimes. In light of the recent finding that the two successive matching IMP solutions are linearly connected without a loss barrier, we propose Sparse Weight Averaging with Multiple Particles (SWAMP), a straightforward modification of IMP that achieves performance comparable to an ensemble of two IMP solutions. For every iteration, we concurrently train multiple sparse models, referred to as particles, using different batch orders yet the same matching ticket, and then weight average such models to produce a single mask. We demonstrate that our method consistently outperforms existing baselines across different sparsities through extensive experiments on various data and neural network structures.

In the era of proliferation of large language and image generation models, the phenomenon of "model collapse" refers to the situation whereby as a model is trained recursively on data generated from previous generations of itself over time, its performance degrades until the model eventually becomes completely useless, i.e the model collapses. In this work, we study this phenomenon in the setting of high-dimensional regression and obtain analytic formulae which quantitatively outline this phenomenon in a broad range of regimes. In the special case of polynomial decaying spectral and source conditions, we obtain modified scaling laws which exhibit new crossover phenomena from fast to slow rates. We also propose a simple strategy based on adaptive regularization to mitigate model collapse. Our theoretical results are validated with experiments.

Automatic analysis of the enormous sets of images is a critical task in life sciences. This faces many challenges such as: algorithms are highly parameterized, significant human input is intertwined, and lacking a standard meta-visualization approach. This paper proposes an alternative iterative approach for optimizing input parameters, saving time by minimizing the user involvement, and allowing for understanding the workflow of algorithms and discovering new ones. The main focus is on developing an interactive visualization technique that enables users to analyze the relationships between sampled input parameters and corresponding output. This technique is implemented as a prototype called Veni Vidi Vici, or "I came, I saw, I conquered." This strategy is inspired by the mathematical formulas of numbering computable functions and is developed atop ImageJ, a scientific image processing program. A case study is presented to investigate the proposed framework. Finally, the paper explores some potential future issues in the application of the proposed approach in parameter space analysis in visualization.

Knee osteoarthritis (OA) is one of the highest disability factors in the world. This musculoskeletal disorder is assessed from clinical symptoms, and typically confirmed via radiographic assessment. This visual assessment done by a radiologist requires experience, and suffers from moderate to high inter-observer variability. The recent literature has shown that deep learning methods can reliably perform the OA severity assessment according to the gold standard Kellgren-Lawrence (KL) grading system. However, these methods require large amounts of labeled data, which are costly to obtain. In this study, we propose the Semixup algorithm, a semi-supervised learning (SSL) approach to leverage unlabeled data. Semixup relies on consistency regularization using in- and out-of-manifold samples, together with interpolated consistency. On an independent test set, our method significantly outperformed other state-of-the-art SSL methods in most cases. Finally, when compared to a well-tuned fully supervised baseline that yielded a balanced accuracy (BA) of 70.9pm0.8% on the test set, Semixup had comparable performance -- BA of 71pm0.8% (p=0.368) while requiring 6 times less labeled data. These results show that our proposed SSL method allows building fully automatic OA severity assessment tools with datasets that are available outside research settings.

Datasets often have their intrinsic symmetries, and particular deep-learning models called equivariant or invariant models have been developed to exploit these symmetries. However, if some or all of these symmetries are only approximate, which frequently happens in practice, these models may be suboptimal due to the architectural restrictions imposed on them. We tackle this issue of approximate symmetries in a setup where symmetries are mixed, i.e., they are symmetries of not single but multiple different types and the degree of approximation varies across these types. Instead of proposing a new architectural restriction as in most of the previous approaches, we present a regularizer-based method for building a model for a dataset with mixed approximate symmetries. The key component of our method is what we call equivariance regularizer for a given type of symmetries, which measures how much a model is equivariant with respect to the symmetries of the type. Our method is trained with these regularizers, one per each symmetry type, and the strength of the regularizers is automatically tuned during training, leading to the discovery of the approximation levels of some candidate symmetry types without explicit supervision. Using synthetic function approximation and motion forecasting tasks, we demonstrate that our method achieves better accuracy than prior approaches while discovering the approximate symmetry levels correctly.

Recently, flat minima are proven to be effective for improving generalization and sharpness-aware minimization (SAM) achieves state-of-the-art performance. Yet the current definition of flatness discussed in SAM and its follow-ups are limited to the zeroth-order flatness (i.e., the worst-case loss within a perturbation radius). We show that the zeroth-order flatness can be insufficient to discriminate minima with low generalization error from those with high generalization error both when there is a single minimum or multiple minima within the given perturbation radius. Thus we present first-order flatness, a stronger measure of flatness focusing on the maximal gradient norm within a perturbation radius which bounds both the maximal eigenvalue of Hessian at local minima and the regularization function of SAM. We also present a novel training procedure named Gradient norm Aware Minimization (GAM) to seek minima with uniformly small curvature across all directions. Experimental results show that GAM improves the generalization of models trained with current optimizers such as SGD and AdamW on various datasets and networks. Furthermore, we show that GAM can help SAM find flatter minima and achieve better generalization.

Denoising Diffusion Probabilistic Models have shown an impressive generation quality, although their long sampling chain leads to high computational costs. In this paper, we observe that a long sampling chain also leads to an error accumulation phenomenon, which is similar to the exposure bias problem in autoregressive text generation. Specifically, we note that there is a discrepancy between training and testing, since the former is conditioned on the ground truth samples, while the latter is conditioned on the previously generated results. To alleviate this problem, we propose a very simple but effective training regularization, consisting in perturbing the ground truth samples to simulate the inference time prediction errors. We empirically show that, without affecting the recall and precision, the proposed input perturbation leads to a significant improvement in the sample quality while reducing both the training and the inference times. For instance, on CelebA 64times64, we achieve a new state-of-the-art FID score of 1.27, while saving 37.5% of the training time. The code is publicly available at https://github.com/forever208/DDPM-IP

Since the introduction of deep learning, a wide scope of representation properties, such as decorrelation, whitening, disentanglement, rank, isotropy, and mutual information, have been studied to improve the quality of representation. However, manipulating such properties can be challenging in terms of implementational effectiveness and general applicability. To address these limitations, we propose to regularize von Neumann entropy~(VNE) of representation. First, we demonstrate that the mathematical formulation of VNE is superior in effectively manipulating the eigenvalues of the representation autocorrelation matrix. Then, we demonstrate that it is widely applicable in improving state-of-the-art algorithms or popular benchmark algorithms by investigating domain-generalization, meta-learning, self-supervised learning, and generative models. In addition, we formally establish theoretical connections with rank, disentanglement, and isotropy of representation. Finally, we provide discussions on the dimension control of VNE and the relationship with Shannon entropy. Code is available at: https://github.com/jaeill/CVPR23-VNE.

Underwater acoustic target recognition is a difficult task owing to the intricate nature of underwater acoustic signals. The complex underwater environments, unpredictable transmission channels, and dynamic motion states greatly impact the real-world underwater acoustic signals, and may even obscure the intrinsic characteristics related to targets. Consequently, the data distribution of underwater acoustic signals exhibits high intra-class diversity, thereby compromising the accuracy and robustness of recognition systems.To address these issues, this work proposes a convolution-based mixture of experts (CMoE) that recognizes underwater targets in a fine-grained manner. The proposed technique introduces multiple expert layers as independent learners, along with a routing layer that determines the assignment of experts according to the characteristics of inputs. This design allows the model to utilize independent parameter spaces, facilitating the learning of complex underwater signals with high intra-class diversity. Furthermore, this work optimizes the CMoE structure by balancing regularization and an optional residual module. To validate the efficacy of our proposed techniques, we conducted detailed experiments and visualization analyses on three underwater acoustic databases across several acoustic features. The experimental results demonstrate that our CMoE consistently achieves significant performance improvements, delivering superior recognition accuracy when compared to existing advanced methods.

We introduce an algorithm where the individual bits representing the weights of a neural network are learned. This method allows training weights with integer values on arbitrary bit-depths and naturally uncovers sparse networks, without additional constraints or regularization techniques. We show better results than the standard training technique with fully connected networks and similar performance as compared to standard training for convolutional and residual networks. By training bits in a selective manner we found that the biggest contribution to achieving high accuracy is given by the first three most significant bits, while the rest provide an intrinsic regularization. As a consequence more than 90\% of a network can be used to store arbitrary codes without affecting its accuracy. These codes may be random noise, binary files or even the weights of previously trained networks.

Although deep neural networks achieve tremendous success on various classification tasks, the generalization ability drops sheer when training datasets exhibit long-tailed distributions. One of the reasons is that the learned representations (i.e. features) from the imbalanced datasets are less effective than those from balanced datasets. Specifically, the learned representation under class-balanced distribution will present the Neural Collapse (NC) phenomena. NC indicates the features from the same category are close to each other and from different categories are maximally distant, showing an optimal linear separable state of classification. However, the pattern differs on imbalanced datasets and is partially responsible for the reduced performance of the model. In this work, we propose two explicit feature regularization terms to learn high-quality representation for class-imbalanced data. With the proposed regularization, NC phenomena will appear under the class-imbalanced distribution, and the generalization ability can be significantly improved. Our method is easily implemented, highly effective, and can be plugged into most existing methods. The extensive experimental results on widely-used benchmarks show the effectiveness of our method

Existing image inpainting methods often produce artifacts when dealing with large holes in real applications. To address this challenge, we propose an iterative inpainting method with a feedback mechanism. Specifically, we introduce a deep generative model which not only outputs an inpainting result but also a corresponding confidence map. Using this map as feedback, it progressively fills the hole by trusting only high-confidence pixels inside the hole at each iteration and focuses on the remaining pixels in the next iteration. As it reuses partial predictions from the previous iterations as known pixels, this process gradually improves the result. In addition, we propose a guided upsampling network to enable generation of high-resolution inpainting results. We achieve this by extending the Contextual Attention module to borrow high-resolution feature patches in the input image. Furthermore, to mimic real object removal scenarios, we collect a large object mask dataset and synthesize more realistic training data that better simulates user inputs. Experiments show that our method significantly outperforms existing methods in both quantitative and qualitative evaluations. More results and Web APP are available at https://zengxianyu.github.io/iic.

Out-of-distribution (OOD) generalization is critical for machine learning models deployed in the real world. However, achieving this can be fundamentally challenging, as it requires the ability to learn invariant features across different domains or environments. In this paper, we propose a novel framework HYPO (HYPerspherical OOD generalization) that provably learns domain-invariant representations in a hyperspherical space. In particular, our hyperspherical learning algorithm is guided by intra-class variation and inter-class separation principles -- ensuring that features from the same class (across different training domains) are closely aligned with their class prototypes, while different class prototypes are maximally separated. We further provide theoretical justifications on how our prototypical learning objective improves the OOD generalization bound. Through extensive experiments on challenging OOD benchmarks, we demonstrate that our approach outperforms competitive baselines and achieves superior performance. Code is available at https://github.com/deeplearning-wisc/hypo.

Pruning is a model compression method that removes redundant parameters in deep neural networks (DNNs) while maintaining accuracy. Most available filter pruning methods require complex treatments such as iterative pruning, features statistics/ranking, or additional optimization designs in the training process. In this paper, we propose a simple and effective regularization strategy from a new perspective of evolution of features, which we call feature flow regularization (FFR), for improving structured sparsity and filter pruning in DNNs. Specifically, FFR imposes controls on the gradient and curvature of feature flow along the neural network, which implicitly increases the sparsity of the parameters. The principle behind FFR is that coherent and smooth evolution of features will lead to an efficient network that avoids redundant parameters. The high structured sparsity obtained from FFR enables us to prune filters effectively. Experiments with VGGNets, ResNets on CIFAR-10/100, and Tiny ImageNet datasets demonstrate that FFR can significantly improve both unstructured and structured sparsity. Our pruning results in terms of reduction of parameters and FLOPs are comparable to or even better than those of state-of-the-art pruning methods.

The existing model compression methods via structured pruning typically require complicated multi-stage procedures. Each individual stage necessitates numerous engineering efforts and domain-knowledge from the end-users which prevent their wider applications onto broader scenarios. We propose the second generation of Only-Train-Once (OTOv2), which first automatically trains and compresses a general DNN only once from scratch to produce a more compact model with competitive performance without fine-tuning. OTOv2 is automatic and pluggable into various deep learning applications, and requires almost minimal engineering efforts from the users. Methodologically, OTOv2 proposes two major improvements: (i) Autonomy: automatically exploits the dependency of general DNNs, partitions the trainable variables into Zero-Invariant Groups (ZIGs), and constructs the compressed model; and (ii) Dual Half-Space Projected Gradient (DHSPG): a novel optimizer to more reliably solve structured-sparsity problems. Numerically, we demonstrate the generality and autonomy of OTOv2 on a variety of model architectures such as VGG, ResNet, CARN, ConvNeXt, DenseNet and StackedUnets, the majority of which cannot be handled by other methods without extensive handcrafting efforts. Together with benchmark datasets including CIFAR10/100, DIV2K, Fashion-MNIST, SVNH and ImageNet, its effectiveness is validated by performing competitively or even better than the state-of-the-arts. The source code is available at https://github.com/tianyic/only_train_once.

In this work, we propose a concise neural operator architecture for operator learning. Drawing an analogy with a conventional fully connected neural network, we define the neural operator as follows: the output of the i-th neuron in a nonlinear operator layer is defined by mathcal O_i(u) = sigmaleft( sum_j mathcal W_{ij} u + mathcal B_{ij}right). Here, mathcal W_{ij} denotes the bounded linear operator connecting j-th input neuron to i-th output neuron, and the bias mathcal B_{ij} takes the form of a function rather than a scalar. Given its new universal approximation property, the efficient parameterization of the bounded linear operators between two neurons (Banach spaces) plays a critical role. As a result, we introduce MgNO, utilizing multigrid structures to parameterize these linear operators between neurons. This approach offers both mathematical rigor and practical expressivity. Additionally, MgNO obviates the need for conventional lifting and projecting operators typically required in previous neural operators. Moreover, it seamlessly accommodates diverse boundary conditions. Our empirical observations reveal that MgNO exhibits superior ease of training compared to other CNN-based models, while also displaying a reduced susceptibility to overfitting when contrasted with spectral-type neural operators. We demonstrate the efficiency and accuracy of our method with consistently state-of-the-art performance on different types of partial differential equations (PDEs).

Masked Image Modeling (MIM) offers a promising approach to self-supervised representation learning, however existing MIM models still lag behind the state-of-the-art. In this paper, we systematically analyze target representations, loss functions, and architectures, to introduce CAPI - a novel pure-MIM framework that relies on the prediction of latent clusterings. Our approach leverages a clustering-based loss, which is stable to train, and exhibits promising scaling properties. Our ViT-L backbone, CAPI, achieves 83.8% accuracy on ImageNet and 32.1% mIoU on ADE20K with simple linear probes, substantially outperforming previous MIM methods and approaching the performance of the current state-of-the-art, DINOv2. We release all our code and models.

We propose a novel framework to perform classification via deep learning in the presence of noisy annotations. When trained on noisy labels, deep neural networks have been observed to first fit the training data with clean labels during an "early learning" phase, before eventually memorizing the examples with false labels. We prove that early learning and memorization are fundamental phenomena in high-dimensional classification tasks, even in simple linear models, and give a theoretical explanation in this setting. Motivated by these findings, we develop a new technique for noisy classification tasks, which exploits the progress of the early learning phase. In contrast with existing approaches, which use the model output during early learning to detect the examples with clean labels, and either ignore or attempt to correct the false labels, we take a different route and instead capitalize on early learning via regularization. There are two key elements to our approach. First, we leverage semi-supervised learning techniques to produce target probabilities based on the model outputs. Second, we design a regularization term that steers the model towards these targets, implicitly preventing memorization of the false labels. The resulting framework is shown to provide robustness to noisy annotations on several standard benchmarks and real-world datasets, where it achieves results comparable to the state of the art.

In recent years, multiple notions of algorithmic fairness have arisen. One such notion is individual fairness (IF), which requires that individuals who are similar receive similar treatment. In parallel, matrix estimation (ME) has emerged as a natural paradigm for handling noisy data with missing values. In this work, we connect the two concepts. We show that pre-processing data using ME can improve an algorithm's IF without sacrificing performance. Specifically, we show that using a popular ME method known as singular value thresholding (SVT) to pre-process the data provides a strong IF guarantee under appropriate conditions. We then show that, under analogous conditions, SVT pre-processing also yields estimates that are consistent and approximately minimax optimal. As such, the ME pre-processing step does not, under the stated conditions, increase the prediction error of the base algorithm, i.e., does not impose a fairness-performance trade-off. We verify these results on synthetic and real data.

Many recent methods for unsupervised or self-supervised representation learning train feature extractors by maximizing an estimate of the mutual information (MI) between different views of the data. This comes with several immediate problems: For example, MI is notoriously hard to estimate, and using it as an objective for representation learning may lead to highly entangled representations due to its invariance under arbitrary invertible transformations. Nevertheless, these methods have been repeatedly shown to excel in practice. In this paper we argue, and provide empirical evidence, that the success of these methods cannot be attributed to the properties of MI alone, and that they strongly depend on the inductive bias in both the choice of feature extractor architectures and the parametrization of the employed MI estimators. Finally, we establish a connection to deep metric learning and argue that this interpretation may be a plausible explanation for the success of the recently introduced methods.

We present starkiller, an open-source Python package for forward-modeling flux retrieval from integral field unit spectrograph (IFU) datacubes. Starkiller simultaneously provides stellar spectral classification, relative velocity, and line-of-sight extinction for all sources in a catalog, alongside a source-subtracted datacube. It performs synthetic difference imaging by simulating all catalog sources in the field of view, using the catalog for positions and fluxes to scale stellar models, independent of the datacube. This differencing method is particularly powerful for subtracting both point-sources and trailed or even streaked sources from extended astronomical objects. We demonstrate starkiller's effectiveness in improving observations of extended sources in dense stellar fields for VLT/MUSE observations of comets, asteroids and nebulae. We also show that starkiller can treat satellite-impacted VLT/MUSE observations. The package could be applied to tasks as varied as dust extinction in clusters and stellar variability; the stellar modeling using Gaia fluxes is provided as a standalone function. The techniques can be expanded to imagers and to other IFUs.

Model attributions are important in deep neural networks as they aid practitioners in understanding the models, but recent studies reveal that attributions can be easily perturbed by adding imperceptible noise to the input. The non-differentiable Kendall's rank correlation is a key performance index for attribution protection. In this paper, we first show that the expected Kendall's rank correlation is positively correlated to cosine similarity and then indicate that the direction of attribution is the key to attribution robustness. Based on these findings, we explore the vector space of attribution to explain the shortcomings of attribution defense methods using ell_p norm and propose integrated gradient regularizer (IGR), which maximizes the cosine similarity between natural and perturbed attributions. Our analysis further exposes that IGR encourages neurons with the same activation states for natural samples and the corresponding perturbed samples, which is shown to induce robustness to gradient-based attribution methods. Our experiments on different models and datasets confirm our analysis on attribution protection and demonstrate a decent improvement in adversarial robustness.

Recent learning-based approaches have made astonishing advances in calibrated medical imaging like computerized tomography (CT), yet they struggle to generalize in uncalibrated modalities -- notably magnetic resonance (MR) imaging, where performance is highly sensitive to the differences in MR contrast, resolution, and orientation. This prevents broad applicability to diverse real-world clinical protocols. We introduce Brain-ID, an anatomical representation learning model for brain imaging. With the proposed "mild-to-severe" intra-subject generation, Brain-ID is robust to the subject-specific brain anatomy regardless of the appearance of acquired images (e.g., contrast, deformation, resolution, artifacts). Trained entirely on synthetic data, Brain-ID readily adapts to various downstream tasks through only one layer. We present new metrics to validate the intra- and inter-subject robustness of Brain-ID features, and evaluate their performance on four downstream applications, covering contrast-independent (anatomy reconstruction/contrast synthesis, brain segmentation), and contrast-dependent (super-resolution, bias field estimation) tasks. Extensive experiments on six public datasets demonstrate that Brain-ID achieves state-of-the-art performance in all tasks on different MRI modalities and CT, and more importantly, preserves its performance on low-resolution and small datasets. Code is available at https://github.com/peirong26/Brain-ID.

Differentiable Architecture Search (DARTS) has attracted a lot of attention due to its simplicity and small search costs achieved by a continuous relaxation and an approximation of the resulting bi-level optimization problem. However, DARTS does not work robustly for new problems: we identify a wide range of search spaces for which DARTS yields degenerate architectures with very poor test performance. We study this failure mode and show that, while DARTS successfully minimizes validation loss, the found solutions generalize poorly when they coincide with high validation loss curvature in the architecture space. We show that by adding one of various types of regularization we can robustify DARTS to find solutions with less curvature and better generalization properties. Based on these observations, we propose several simple variations of DARTS that perform substantially more robustly in practice. Our observations are robust across five search spaces on three image classification tasks and also hold for the very different domains of disparity estimation (a dense regression task) and language modelling.

Within the domain of medical analysis, extensive research has explored the potential of mutual learning between Masked Autoencoders(MAEs) and multimodal data. However, the impact of MAEs on intermodality remains a key challenge. We introduce MedFLIP, a Fast Language-Image Pre-training method for Medical analysis. We explore MAEs for zero-shot learning with crossed domains, which enhances the model's ability to learn from limited data, a common scenario in medical diagnostics. We verify that masking an image does not affect inter-modal learning. Furthermore, we propose the SVD loss to enhance the representation learning for characteristics of medical images, aiming to improve classification accuracy by leveraging the structural intricacies of such data. Our theory posits that masking encourages semantic preservation, robust feature extraction, regularization, domain adaptation, and invariance learning. Lastly, we validate using language will improve the zero-shot performance for the medical image analysis. MedFLIP's scaling of the masking process marks an advancement in the field, offering a pathway to rapid and precise medical image analysis without the traditional computational bottlenecks. Through experiments and validation, MedFLIP demonstrates efficient performance improvements, helps for future research and application in medical diagnostics.

Computing the optimal transport distance between statistical distributions is a fundamental task in machine learning. One remarkable recent advancement is entropic regularization and the Sinkhorn algorithm, which utilizes only matrix scaling and guarantees an approximated solution with near-linear runtime. Despite the success of the Sinkhorn algorithm, its runtime may still be slow due to the potentially large number of iterations needed for convergence. To achieve possibly super-exponential convergence, we present Sinkhorn-Newton-Sparse (SNS), an extension to the Sinkhorn algorithm, by introducing early stopping for the matrix scaling steps and a second stage featuring a Newton-type subroutine. Adopting the variational viewpoint that the Sinkhorn algorithm maximizes a concave Lyapunov potential, we offer the insight that the Hessian matrix of the potential function is approximately sparse. Sparsification of the Hessian results in a fast O(n^2) per-iteration complexity, the same as the Sinkhorn algorithm. In terms of total iteration count, we observe that the SNS algorithm converges orders of magnitude faster across a wide range of practical cases, including optimal transportation between empirical distributions and calculating the Wasserstein W_1, W_2 distance of discretized densities. The empirical performance is corroborated by a rigorous bound on the approximate sparsity of the Hessian matrix.

Automated segmentation of retinal optical coherence tomography (OCT) images has become an important recent direction in machine learning for medical applications. We hypothesize that the anatomic structure of layers and their high-frequency variation in OCT images make retinal OCT a fitting choice for extracting spectral-domain features and combining them with spatial domain features. In this work, we present Upsilon-Net, an architecture that combines the frequency domain features with the image domain to improve the segmentation performance of OCT images. The results of this work demonstrate that the introduction of two branches, one for spectral and one for spatial domain features, brings a very significant improvement in fluid segmentation performance and allows outperformance as compared to the well-known U-Net model. Our improvement was 13% on the fluid segmentation dice score and 1.9% on the average dice score. Finally, removing selected frequency ranges in the spectral domain demonstrates the impact of these features on the fluid segmentation outperformance.

Text-to-image (T2I) diffusion models, when fine-tuned on a few personal images, are able to generate visuals with a high degree of consistency. However, they still lack in synthesizing images of different scenarios or styles that are possible in the original pretrained models. To address this, we propose to fine-tune the T2I model by maximizing consistency to reference images, while penalizing the deviation from the pretrained model. We devise a novel training objective for T2I diffusion models that minimally fine-tunes the pretrained model to achieve consistency. Our method, dubbed Direct Consistency Optimization, is as simple as regular diffusion loss, while significantly enhancing the compositionality of personalized T2I models. Also, our approach induces a new sampling method that controls the tradeoff between image fidelity and prompt fidelity. Lastly, we emphasize the necessity of using a comprehensive caption for reference images to further enhance the image-text alignment. We show the efficacy of the proposed method on the T2I personalization for subject, style, or both. In particular, our method results in a superior Pareto frontier to the baselines. Generated examples and codes are in our project page( https://dco-t2i.github.io/).

The oxygen saturation level in the blood (SaO2) is crucial for health, particularly in relation to sleep-related breathing disorders. However, continuous monitoring of SaO2 is time-consuming and highly variable depending on patients' conditions. Recently, optical coherence tomography angiography (OCTA) has shown promising development in rapidly and effectively screening eye-related lesions, offering the potential for diagnosing sleep-related disorders. To bridge this gap, our paper presents three key contributions. Firstly, we propose JointViT, a novel model based on the Vision Transformer architecture, incorporating a joint loss function for supervision. Secondly, we introduce a balancing augmentation technique during data preprocessing to improve the model's performance, particularly on the long-tail distribution within the OCTA dataset. Lastly, through comprehensive experiments on the OCTA dataset, our proposed method significantly outperforms other state-of-the-art methods, achieving improvements of up to 12.28% in overall accuracy. This advancement lays the groundwork for the future utilization of OCTA in diagnosing sleep-related disorders. See project website https://steve-zeyu-zhang.github.io/JointViT

The generalization capability of deep neural networks has been substantially improved by applying a wide spectrum of regularization methods, e.g., restricting function space, injecting randomness during training, augmenting data, etc. In this work, we propose a simple yet effective regularization method named progressive self-knowledge distillation (PS-KD), which progressively distills a model's own knowledge to soften hard targets (i.e., one-hot vectors) during training. Hence, it can be interpreted within a framework of knowledge distillation as a student becomes a teacher itself. Specifically, targets are adjusted adaptively by combining the ground-truth and past predictions from the model itself. We show that PS-KD provides an effect of hard example mining by rescaling gradients according to difficulty in classifying examples. The proposed method is applicable to any supervised learning tasks with hard targets and can be easily combined with existing regularization methods to further enhance the generalization performance. Furthermore, it is confirmed that PS-KD achieves not only better accuracy, but also provides high quality of confidence estimates in terms of calibration as well as ordinal ranking. Extensive experimental results on three different tasks, image classification, object detection, and machine translation, demonstrate that our method consistently improves the performance of the state-of-the-art baselines. The code is available at https://github.com/lgcnsai/PS-KD-Pytorch.

Reliably reconstructing physical fields from sparse sensor data is a challenge that frequently arises in many scientific domains. In practice, the process generating the data often is not understood to sufficient accuracy. Therefore, there is a growing interest in using the deep neural network route to address the problem. This work presents a novel approach that learns a continuous representation of the physical field using implicit neural representations (INRs). Specifically, after factorizing spatiotemporal variability into spatial and temporal components using the separation of variables technique, the method learns relevant basis functions from sparsely sampled irregular data points to develop a continuous representation of the data. In experimental evaluations, the proposed model outperforms recent INR methods, offering superior reconstruction quality on simulation data from a state-of-the-art climate model and a second dataset that comprises ultra-high resolution satellite-based sea surface temperature fields.

The infinitely wide neural network has been proven a useful and manageable mathematical model that enables the understanding of many phenomena appearing in deep learning. One example is the convergence of random deep networks to Gaussian processes that allows a rigorous analysis of the way the choice of activation function and network weights impacts the training dynamics. In this paper, we extend the seminal proof of Matthews et al. (2018) to a larger class of initial weight distributions (which we call PSEUDO-IID), including the established cases of IID and orthogonal weights, as well as the emerging low-rank and structured sparse settings celebrated for their computational speed-up benefits. We show that fully-connected and convolutional networks initialized with PSEUDO-IID distributions are all effectively equivalent up to their variance. Using our results, one can identify the Edge-of-Chaos for a broader class of neural networks and tune them at criticality in order to enhance their training. Moreover, they enable the posterior distribution of Bayesian Neural Networks to be tractable across these various initialization schemes.

Despite the recent advances in the field of computational Schr\"odinger Bridges (SB), most existing SB solvers are still heavy-weighted and require complex optimization of several neural networks. It turns out that there is no principal solver which plays the role of simple-yet-effective baseline for SB just like, e.g., k-means method in clustering, logistic regression in classification or Sinkhorn algorithm in discrete optimal transport. We address this issue and propose a novel fast and simple SB solver. Our development is a smart combination of two ideas which recently appeared in the field: (a) parameterization of the Schr\"odinger potentials with sum-exp quadratic functions and (b) viewing the log-Schr\"odinger potentials as the energy functions. We show that combined together these ideas yield a lightweight, simulation-free and theoretically justified SB solver with a simple straightforward optimization objective. As a result, it allows solving SB in moderate dimensions in a matter of minutes on CPU without a painful hyperparameter selection. Our light solver resembles the Gaussian mixture model which is widely used for density estimation. Inspired by this similarity, we also prove an important theoretical result showing that our light solver is a universal approximator of SBs. Furthemore, we conduct the analysis of the generalization error of our light solver. The code for our solver can be found at https://github.com/ngushchin/LightSB

Over-parameterized deep networks trained using gradient-based optimizers are a popular choice for solving classification and ranking problems. Without appropriately tuned ell_2 regularization or weight decay, such networks have the tendency to make output scores (logits) and network weights large, causing training loss to become too small and the network to lose its adaptivity (ability to move around) in the parameter space. Although regularization is typically understood from an overfitting perspective, we highlight its role in making the network more adaptive and enabling it to escape more easily from weights that generalize poorly. To provide such a capability, we propose a method called Logit Attenuating Weight Normalization (LAWN), that can be stacked onto any gradient-based optimizer. LAWN controls the logits by constraining the weight norms of layers in the final homogeneous sub-network. Empirically, we show that the resulting LAWN variant of the optimizer makes a deep network more adaptive to finding minimas with superior generalization performance on large-scale image classification and recommender systems. While LAWN is particularly impressive in improving Adam, it greatly improves all optimizers when used with large batch sizes

Parameter regularization or allocation methods are effective in overcoming catastrophic forgetting in lifelong learning. However, they solve all tasks in a sequence uniformly and ignore the differences in the learning difficulty of different tasks. So parameter regularization methods face significant forgetting when learning a new task very different from learned tasks, and parameter allocation methods face unnecessary parameter overhead when learning simple tasks. In this paper, we propose the Parameter Allocation & Regularization (PAR), which adaptively select an appropriate strategy for each task from parameter allocation and regularization based on its learning difficulty. A task is easy for a model that has learned tasks related to it and vice versa. We propose a divergence estimation method based on the Nearest-Prototype distance to measure the task relatedness using only features of the new task. Moreover, we propose a time-efficient relatedness-aware sampling-based architecture search strategy to reduce the parameter overhead for allocation. Experimental results on multiple benchmarks demonstrate that, compared with SOTAs, our method is scalable and significantly reduces the model's redundancy while improving the model's performance. Further qualitative analysis indicates that PAR obtains reasonable task-relatedness.

With the increasingly powerful performances and enormous scales of Pretrained Language Models (PLMs), promoting parameter efficiency in fine-tuning has become a crucial need for effective and efficient adaptation to various downstream tasks. One representative line of fine-tuning methods is Orthogonal Fine-tuning (OFT), which rigorously preserves the angular distances within the parameter space to preserve the pretrained knowledge. Despite the empirical effectiveness, OFT still suffers low parameter efficiency at O(d^2) and limited capability of downstream adaptation. Inspired by Givens rotation, in this paper, we proposed quasi-Givens Orthogonal Fine-Tuning (qGOFT) to address the problems. We first use O(d) Givens rotations to accomplish arbitrary orthogonal transformation in SO(d) with provable equivalence, reducing parameter complexity from O(d^2) to O(d). Then we introduce flexible norm and relative angular adjustments under soft orthogonality regularization to enhance the adaptation capability of downstream semantic deviations. Extensive experiments on various tasks and PLMs validate the effectiveness of our methods.

As with any physical instrument, hyperspectral cameras induce different kinds of noise in the acquired data. Therefore, Hyperspectral denoising is a crucial step for analyzing hyperspectral images (HSIs). Conventional computational methods rarely use GPUs to improve efficiency and are not fully open-source. Alternatively, deep learning-based methods are often open-source and use GPUs, but their training and utilization for real-world applications remain non-trivial for many researchers. Consequently, we propose HyDe: the first open-source, GPU-accelerated Python-based, hyperspectral image denoising toolbox, which aims to provide a large set of methods with an easy-to-use environment. HyDe includes a variety of methods ranging from low-rank wavelet-based methods to deep neural network (DNN) models. HyDe's interface dramatically improves the interoperability of these methods and the performance of the underlying functions. In fact, these methods maintain similar HSI denoising performance to their original implementations while consuming nearly ten times less energy. Furthermore, we present a method for training DNNs for denoising HSIs which are not spatially related to the training dataset, i.e., training on ground-level HSIs for denoising HSIs with other perspectives including airborne, drone-borne, and space-borne. To utilize the trained DNNs, we show a sliding window method to effectively denoise HSIs which would otherwise require more than 40 GB. The package can be found at: https://github.com/Helmholtz-AI-Energy/HyDe.

In disentangled representation learning, a model is asked to tease apart a dataset's underlying sources of variation and represent them independently of one another. Since the model is provided with no ground truth information about these sources, inductive biases take a paramount role in enabling disentanglement. In this work, we construct an inductive bias towards encoding to and decoding from an organized latent space. Concretely, we do this by (i) quantizing the latent space into discrete code vectors with a separate learnable scalar codebook per dimension and (ii) applying strong model regularization via an unusually high weight decay. Intuitively, the latent space design forces the encoder to combinatorially construct codes from a small number of distinct scalar values, which in turn enables the decoder to assign a consistent meaning to each value. Regularization then serves to drive the model towards this parsimonious strategy. We demonstrate the broad applicability of this approach by adding it to both basic data-reconstructing (vanilla autoencoder) and latent-reconstructing (InfoGAN) generative models. For reliable evaluation, we also propose InfoMEC, a new set of metrics for disentanglement that is cohesively grounded in information theory and fixes well-established shortcomings in previous metrics. Together with regularization, latent quantization dramatically improves the modularity and explicitness of learned representations on a representative suite of benchmark datasets. In particular, our quantized-latent autoencoder (QLAE) consistently outperforms strong methods from prior work in these key disentanglement properties without compromising data reconstruction.

Denoising is intuitively related to projection. Indeed, under the manifold hypothesis, adding random noise is approximately equivalent to orthogonal perturbation. Hence, learning to denoise is approximately learning to project. In this paper, we use this observation to reinterpret denoising diffusion models as approximate gradient descent applied to the Euclidean distance function. We then provide straight-forward convergence analysis of the DDIM sampler under simple assumptions on the projection-error of the denoiser. Finally, we propose a new sampler based on two simple modifications to DDIM using insights from our theoretical results. In as few as 5-10 function evaluations, our sampler achieves state-of-the-art FID scores on pretrained CIFAR-10 and CelebA models and can generate high quality samples on latent diffusion models.

Adversarial training, which is to enhance robustness against adversarial attacks, has received much attention because it is easy to generate human-imperceptible perturbations of data to deceive a given deep neural network. In this paper, we propose a new adversarial training algorithm that is theoretically well motivated and empirically superior to other existing algorithms. A novel feature of the proposed algorithm is to apply more regularization to data vulnerable to adversarial attacks than other existing regularization algorithms do. Theoretically, we show that our algorithm can be understood as an algorithm of minimizing the regularized empirical risk motivated from a newly derived upper bound of the robust risk. Numerical experiments illustrate that our proposed algorithm improves the generalization (accuracy on examples) and robustness (accuracy on adversarial attacks) simultaneously to achieve the state-of-the-art performance.

Discussions of minimum parking requirement policies often include maps of parking lots, which are time consuming to construct manually. Open source datasets for such parking lots are scarce, particularly for US cities. This paper introduces the idea of using Near-Infrared (NIR) channels as input and several post-processing techniques to improve the prediction of off-street surface parking lots using satellite imagery. We constructed two datasets with 12,617 image-mask pairs each: one with 3-channel (RGB) and another with 4-channel (RGB + NIR). The datasets were used to train five deep learning models (OneFormer, Mask2Former, SegFormer, DeepLabV3, and FCN) for semantic segmentation, classifying images to differentiate between parking and non-parking pixels. Our results demonstrate that the NIR channel improved accuracy because parking lots are often surrounded by grass, even though the NIR channel needed to be upsampled from a lower resolution. Post-processing including eliminating erroneous holes, simplifying edges, and removing road and building footprints further improved the accuracy. Best model, OneFormer trained on 4-channel input and paired with post-processing techniques achieves a mean Intersection over Union (mIoU) of 84.9 percent and a pixel-wise accuracy of 96.3 percent.

Low-rank adaptation~(LoRA) has recently gained much interest in fine-tuning foundation models. It effectively reduces the number of trainable parameters by incorporating low-rank matrices A and B to represent the weight change, i.e., Delta W=BA. Despite LoRA's progress, it faces storage challenges when handling extensive customization adaptations or larger base models. In this work, we aim to further compress trainable parameters by enjoying the powerful expressiveness of the Fourier transform. Specifically, we introduce FourierFT, which treats Delta W as a matrix in the spatial domain and learns only a small fraction of its spectral coefficients. With the trained spectral coefficients, we implement the inverse discrete Fourier transform to recover Delta W. Empirically, our FourierFT method shows comparable or better performance with fewer parameters than LoRA on various tasks, including natural language understanding, natural language generation, instruction tuning, and image classification. For example, when performing instruction tuning on the LLaMA2-7B model, FourierFT surpasses LoRA with only 0.064M trainable parameters, compared to LoRA's 33.5M. Our code is released at https://github.com/Chaos96/fourierft.

Diffusion-weighted magnetic resonance imaging (DW-MRI) can be used to characterise the microstructure of the nervous tissue, e.g. to delineate brain white matter connections in a non-invasive manner via fibre tracking. Magnetic Resonance Imaging (MRI) in high spatial resolution would play an important role in visualising such fibre tracts in a superior manner. However, obtaining an image of such resolution comes at the expense of longer scan time. Longer scan time can be associated with the increase of motion artefacts, due to the patient's psychological and physical conditions. Single Image Super-Resolution (SISR), a technique aimed to obtain high-resolution (HR) details from one single low-resolution (LR) input image, achieved with Deep Learning, is the focus of this study. Compared to interpolation techniques or sparse-coding algorithms, deep learning extracts prior knowledge from big datasets and produces superior MRI images from the low-resolution counterparts. In this research, a deep learning based super-resolution technique is proposed and has been applied for DW-MRI. Images from the IXI dataset have been used as the ground-truth and were artificially downsampled to simulate the low-resolution images. The proposed method has shown statistically significant improvement over the baselines and achieved an SSIM of 0.913pm0.045.

The extensive need for computational resources poses a significant obstacle to deploying large-scale Deep Neural Networks (DNN) on devices with constrained resources. At the same time, studies have demonstrated that a significant number of these DNN parameters are redundant and extraneous. In this paper, we introduce a novel approach for learning structured sparse neural networks, aimed at bridging the DNN hardware deployment challenges. We develop a novel regularization technique, termed Weighted Group Sparse Envelope Function (WGSEF), generalizing the Sparse Envelop Function (SEF), to select (or nullify) neuron groups, thereby reducing redundancy and enhancing computational efficiency. The method speeds up inference time and aims to reduce memory demand and power consumption, thanks to its adaptability which lets any hardware specify group definitions, such as filters, channels, filter shapes, layer depths, a single parameter (unstructured), etc. The properties of the WGSEF enable the pre-definition of a desired sparsity level to be achieved at the training convergence. In the case of redundant parameters, this approach maintains negligible network accuracy degradation or can even lead to improvements in accuracy. Our method efficiently computes the WGSEF regularizer and its proximal operator, in a worst-case linear complexity relative to the number of group variables. Employing a proximal-gradient-based optimization technique, to train the model, it tackles the non-convex minimization problem incorporating the neural network loss and the WGSEF. Finally, we experiment and illustrate the efficiency of our proposed method in terms of the compression ratio, accuracy, and inference latency.

Implicit neural representations (INRs) have arisen as useful methods for representing signals on Euclidean domains. By parameterizing an image as a multilayer perceptron (MLP) on Euclidean space, INRs effectively represent signals in a way that couples spatial and spectral features of the signal that is not obvious in the usual discrete representation, paving the way for continuous signal processing and machine learning approaches that were not previously possible. Although INRs using sinusoidal activation functions have been studied in terms of Fourier theory, recent works have shown the advantage of using wavelets instead of sinusoids as activation functions, due to their ability to simultaneously localize in both frequency and space. In this work, we approach such INRs and demonstrate how they resolve high-frequency features of signals from coarse approximations done in the first layer of the MLP. This leads to multiple prescriptions for the design of INR architectures, including the use of complex wavelets, decoupling of low and band-pass approximations, and initialization schemes based on the singularities of the desired signal.

Transformer neural operators have recently become an effective approach for surrogate modeling of systems governed by partial differential equations (PDEs). In this paper, we introduce a modified implicit factorized transformer (IFactFormer-m) model which replaces the original chained factorized attention with parallel factorized attention. The IFactFormer-m model successfully performs long-term predictions for turbulent channel flow, whereas the original IFactFormer (IFactFormer-o), Fourier neural operator (FNO), and implicit Fourier neural operator (IFNO) exhibit a poor performance. Turbulent channel flows are simulated by direct numerical simulation using fine grids at friction Reynolds numbers Re_{tau}approx 180,395,590, and filtered to coarse grids for training neural operator. The neural operator takes the current flow field as input and predicts the flow field at the next time step, and long-term prediction is achieved in the posterior through an autoregressive approach. The results show that IFactFormer-m, compared to other neural operators and the traditional large eddy simulation (LES) methods including dynamic Smagorinsky model (DSM) and the wall-adapted local eddy-viscosity (WALE) model, reduces prediction errors in the short term, and achieves stable and accurate long-term prediction of various statistical properties and flow structures, including the energy spectrum, mean streamwise velocity, root mean square (rms) values of fluctuating velocities, Reynolds shear stress, and spatial structures of instantaneous velocity. Moreover, the trained IFactFormer-m is much faster than traditional LES methods. By analyzing the attention kernels, we elucidate the reasons why IFactFormer-m converges faster and achieves a stable and accurate long-term prediction compared to IFactFormer-o. Code and data are available at: https://github.com/huiyu-2002/IFactFormer-m.

How to represent an image? While the visual world is presented in a continuous manner, machines store and see the images in a discrete way with 2D arrays of pixels. In this paper, we seek to learn a continuous representation for images. Inspired by the recent progress in 3D reconstruction with implicit neural representation, we propose Local Implicit Image Function (LIIF), which takes an image coordinate and the 2D deep features around the coordinate as inputs, predicts the RGB value at a given coordinate as an output. Since the coordinates are continuous, LIIF can be presented in arbitrary resolution. To generate the continuous representation for images, we train an encoder with LIIF representation via a self-supervised task with super-resolution. The learned continuous representation can be presented in arbitrary resolution even extrapolate to x30 higher resolution, where the training tasks are not provided. We further show that LIIF representation builds a bridge between discrete and continuous representation in 2D, it naturally supports the learning tasks with size-varied image ground-truths and significantly outperforms the method with resizing the ground-truths.

In this paper, we target the adaptive source driven 3D scene editing task by proposing a CustomNeRF model that unifies a text description or a reference image as the editing prompt. However, obtaining desired editing results conformed with the editing prompt is nontrivial since there exist two significant challenges, including accurate editing of only foreground regions and multi-view consistency given a single-view reference image. To tackle the first challenge, we propose a Local-Global Iterative Editing (LGIE) training scheme that alternates between foreground region editing and full-image editing, aimed at foreground-only manipulation while preserving the background. For the second challenge, we also design a class-guided regularization that exploits class priors within the generation model to alleviate the inconsistency problem among different views in image-driven editing. Extensive experiments show that our CustomNeRF produces precise editing results under various real scenes for both text- and image-driven settings.

The Reduced Basis Method can be exploited in an efficient way only if the so-called affine dependence assumption on the operator and right-hand side of the considered problem with respect to the parameters is satisfied. When it is not, the Empirical Interpolation Method is usually used to recover this assumption approximately. In both cases, the Reduced Basis Method requires to access and modify the assembly routines of the corresponding computational code, leading to an intrusive procedure. In this work, we derive variants of the EIM algorithm and explain how they can be used to turn the Reduced Basis Method into a nonintrusive procedure. We present examples of aeroacoustic problems solved by integral equations and show how our algorithms can benefit from the linear algebra tools available in the considered code.

Denoising diffusion models have enabled high-quality image generation and editing. We present a method to localize the desired edit region implicit in a text instruction. We leverage InstructPix2Pix (IP2P) and identify the discrepancy between IP2P predictions with and without the instruction. This discrepancy is referred to as the relevance map. The relevance map conveys the importance of changing each pixel to achieve the edits, and is used to to guide the modifications. This guidance ensures that the irrelevant pixels remain unchanged. Relevance maps are further used to enhance the quality of text-guided editing of 3D scenes in the form of neural radiance fields. A field is trained on relevance maps of training views, denoted as the relevance field, defining the 3D region within which modifications should be made. We perform iterative updates on the training views guided by rendered relevance maps from the relevance field. Our method achieves state-of-the-art performance on both image and NeRF editing tasks. Project page: https://ashmrz.github.io/WatchYourSteps/

We propose Inner Loop Feedback (ILF), a novel approach to accelerate diffusion models' inference. ILF trains a lightweight module to predict future features in the denoising process by leveraging the outputs from a chosen diffusion backbone block at a given time step. This approach exploits two key intuitions; (1) the outputs of a given block at adjacent time steps are similar, and (2) performing partial computations for a step imposes a lower burden on the model than skipping the step entirely. Our method is highly flexible, since we find that the feedback module itself can simply be a block from the diffusion backbone, with all settings copied. Its influence on the diffusion forward can be tempered with a learnable scaling factor from zero initialization. We train this module using distillation losses; however, unlike some prior work where a full diffusion backbone serves as the student, our model freezes the backbone, training only the feedback module. While many efforts to optimize diffusion models focus on achieving acceptable image quality in extremely few steps (1-4 steps), our emphasis is on matching best case results (typically achieved in 20 steps) while significantly reducing runtime. ILF achieves this balance effectively, demonstrating strong performance for both class-to-image generation with diffusion transformer (DiT) and text-to-image generation with DiT-based PixArt-alpha and PixArt-sigma. The quality of ILF's 1.7x-1.8x speedups are confirmed by FID, CLIP score, CLIP Image Quality Assessment, ImageReward, and qualitative comparisons. Project information is available at https://mgwillia.github.io/ilf.

Optimal transport (OT) theory focuses, among all maps T:R^drightarrow R^d that can morph a probability measure onto another, on those that are the ``thriftiest'', i.e. such that the averaged cost c(x, T(x)) between x and its image T(x) be as small as possible. Many computational approaches have been proposed to estimate such Monge maps when c is the ell_2^2 distance, e.g., using entropic maps [Pooladian'22], or neural networks [Makkuva'20, Korotin'20]. We propose a new model for transport maps, built on a family of translation invariant costs c(x, y):=h(x-y), where h:=1{2}|cdot|_2^2+tau and tau is a regularizer. We propose a generalization of the entropic map suitable for h, and highlight a surprising link tying it with the Bregman centroids of the divergence D_h generated by h, and the proximal operator of tau. We show that choosing a sparsity-inducing norm for tau results in maps that apply Occam's razor to transport, in the sense that the displacement vectors Delta(x):= T(x)-x they induce are sparse, with a sparsity pattern that varies depending on x. We showcase the ability of our method to estimate meaningful OT maps for high-dimensional single-cell transcription data, in the 34000-d space of gene counts for cells, without using dimensionality reduction, thus retaining the ability to interpret all displacements at the gene level.

Diffusion model-based inverse problem solvers have demonstrated state-of-the-art performance in cases where the forward operator is known (i.e. non-blind). However, the applicability of the method to blind inverse problems has yet to be explored. In this work, we show that we can indeed solve a family of blind inverse problems by constructing another diffusion prior for the forward operator. Specifically, parallel reverse diffusion guided by gradients from the intermediate stages enables joint optimization of both the forward operator parameters as well as the image, such that both are jointly estimated at the end of the parallel reverse diffusion procedure. We show the efficacy of our method on two representative tasks -- blind deblurring, and imaging through turbulence -- and show that our method yields state-of-the-art performance, while also being flexible to be applicable to general blind inverse problems when we know the functional forms.

Diffusion-based image restoration (IR) methods aim to use diffusion models to recover high-quality (HQ) images from degraded images and achieve promising performance. Due to the inherent property of diffusion models, most of these methods need long serial sampling chains to restore HQ images step-by-step. As a result, it leads to expensive sampling time and high computation costs. Moreover, such long sampling chains hinder understanding the relationship between the restoration results and the inputs since it is hard to compute the gradients in the whole chains. In this work, we aim to rethink the diffusion-based IR models through a different perspective, i.e., a deep equilibrium (DEQ) fixed point system. Specifically, we derive an analytical solution by modeling the entire sampling chain in diffusion-based IR models as a joint multivariate fixed point system. With the help of the analytical solution, we are able to conduct single-image sampling in a parallel way and restore HQ images without training. Furthermore, we compute fast gradients in DEQ and found that initialization optimization can boost performance and control the generation direction. Extensive experiments on benchmarks demonstrate the effectiveness of our proposed method on typical IR tasks and real-world settings. The code and models will be made publicly available.

Masked autoencoder (MAE) has attracted unprecedented attention and achieves remarkable performance in many vision tasks. It reconstructs random masked image patches (known as proxy task) during pretraining and learns meaningful semantic representations that can be transferred to downstream tasks. However, MAE has not been thoroughly explored in ultrasound imaging. In this work, we investigate the potential of MAE for ultrasound image recognition. Motivated by the unique property of ultrasound imaging in high noise-to-signal ratio, we propose a novel deblurring MAE approach that incorporates deblurring into the proxy task during pretraining. The addition of deblurring facilitates the pretraining to better recover the subtle details presented in the ultrasound images, thus improving the performance of the downstream classification task. Our experimental results demonstrate the effectiveness of our deblurring MAE, achieving state-of-the-art performance in ultrasound image classification. Overall, our work highlights the potential of MAE for ultrasound image recognition and presents a novel approach that incorporates deblurring to further improve its effectiveness.

Plug-and-play Image Restoration (IR) has been widely recognized as a flexible and interpretable method for solving various inverse problems by utilizing any off-the-shelf denoiser as the implicit image prior. However, most existing methods focus on discriminative Gaussian denoisers. Although diffusion models have shown impressive performance for high-quality image synthesis, their potential to serve as a generative denoiser prior to the plug-and-play IR methods remains to be further explored. While several other attempts have been made to adopt diffusion models for image restoration, they either fail to achieve satisfactory results or typically require an unacceptable number of Neural Function Evaluations (NFEs) during inference. This paper proposes DiffPIR, which integrates the traditional plug-and-play method into the diffusion sampling framework. Compared to plug-and-play IR methods that rely on discriminative Gaussian denoisers, DiffPIR is expected to inherit the generative ability of diffusion models. Experimental results on three representative IR tasks, including super-resolution, image deblurring, and inpainting, demonstrate that DiffPIR achieves state-of-the-art performance on both the FFHQ and ImageNet datasets in terms of reconstruction faithfulness and perceptual quality with no more than 100 NFEs. The source code is available at {https://github.com/yuanzhi-zhu/DiffPIR}

Accurate probabilistic predictions are essential for optimal decision making. While neural network miscalibration has been studied primarily in classification, we investigate this in the less-explored domain of regression. We conduct the largest empirical study to date to assess the probabilistic calibration of neural networks. We also analyze the performance of recalibration, conformal, and regularization methods to enhance probabilistic calibration. Additionally, we introduce novel differentiable recalibration and regularization methods, uncovering new insights into their effectiveness. Our findings reveal that regularization methods offer a favorable tradeoff between calibration and sharpness. Post-hoc methods exhibit superior probabilistic calibration, which we attribute to the finite-sample coverage guarantee of conformal prediction. Furthermore, we demonstrate that quantile recalibration can be considered as a specific case of conformal prediction. Our study is fully reproducible and implemented in a common code base for fair comparisons.

This paper presents a new approach and algorithm for solving a class of constrained Bi-Level Optimization (BLO) problems in which the lower-level problem involves constraints coupling both upper-level and lower-level variables. Such problems have recently gained significant attention due to their broad applicability in machine learning. However, conventional gradient-based methods unavoidably rely on computationally intensive calculations related to the Hessian matrix. To address this challenge, we begin by devising a smooth proximal Lagrangian value function to handle the constrained lower-level problem. Utilizing this construct, we introduce a single-level reformulation for constrained BLOs that transforms the original BLO problem into an equivalent optimization problem with smooth constraints. Enabled by this reformulation, we develop a Hessian-free gradient-based algorithm-termed proximal Lagrangian Value function-based Hessian-free Bi-level Algorithm (LV-HBA)-that is straightforward to implement in a single loop manner. Consequently, LV-HBA is especially well-suited for machine learning applications. Furthermore, we offer non-asymptotic convergence analysis for LV-HBA, eliminating the need for traditional strong convexity assumptions for the lower-level problem while also being capable of accommodating non-singleton scenarios. Empirical results substantiate the algorithm's superior practical performance.

In this work, we tackle the challenging problem of denoising hand-object interactions (HOI). Given an erroneous interaction sequence, the objective is to refine the incorrect hand trajectory to remove interaction artifacts for a perceptually realistic sequence. This challenge involves intricate interaction noise, including unnatural hand poses and incorrect hand-object relations, alongside the necessity for robust generalization to new interactions and diverse noise patterns. We tackle those challenges through a novel approach, GeneOH Diffusion, incorporating two key designs: an innovative contact-centric HOI representation named GeneOH and a new domain-generalizable denoising scheme. The contact-centric representation GeneOH informatively parameterizes the HOI process, facilitating enhanced generalization across various HOI scenarios. The new denoising scheme consists of a canonical denoising model trained to project noisy data samples from a whitened noise space to a clean data manifold and a "denoising via diffusion" strategy which can handle input trajectories with various noise patterns by first diffusing them to align with the whitened noise space and cleaning via the canonical denoiser. Extensive experiments on four benchmarks with significant domain variations demonstrate the superior effectiveness of our method. GeneOH Diffusion also shows promise for various downstream applications. Project website: https://meowuu7.github.io/GeneOH-Diffusion/.

Diffusion models have recently received a surge of interest due to their impressive performance for image restoration, especially in terms of noise robustness. However, existing diffusion-based methods are trained on a large amount of training data and perform very well in-distribution, but can be quite susceptible to distribution shift. This is especially inappropriate for data-starved hyperspectral image (HSI) restoration. To tackle this problem, this work puts forth a self-supervised diffusion model for HSI restoration, namely Denoising Diffusion Spatio-Spectral Model (DDS2M), which works by inferring the parameters of the proposed Variational Spatio-Spectral Module (VS2M) during the reverse diffusion process, solely using the degraded HSI without any extra training data. In VS2M, a variational inference-based loss function is customized to enable the untrained spatial and spectral networks to learn the posterior distribution, which serves as the transitions of the sampling chain to help reverse the diffusion process. Benefiting from its self-supervised nature and the diffusion process, DDS2M enjoys stronger generalization ability to various HSIs compared to existing diffusion-based methods and superior robustness to noise compared to existing HSI restoration methods. Extensive experiments on HSI denoising, noisy HSI completion and super-resolution on a variety of HSIs demonstrate DDS2M's superiority over the existing task-specific state-of-the-arts.

Several studies have compared the in-distribution (ID) and out-of-distribution (OOD) performance of models in computer vision and NLP. They report a frequent positive correlation and some surprisingly never even observe an inverse correlation indicative of a necessary trade-off. The possibility of inverse patterns is important to determine whether ID performance can serve as a proxy for OOD generalization capabilities. This paper shows with multiple datasets that inverse correlations between ID and OOD performance do happen in real-world data - not only in theoretical worst-case settings. We also explain theoretically how these cases can arise even in a minimal linear setting, and why past studies could miss such cases due to a biased selection of models. Our observations lead to recommendations that contradict those found in much of the current literature. - High OOD performance sometimes requires trading off ID performance. - Focusing on ID performance alone may not lead to optimal OOD performance. It may produce diminishing (eventually negative) returns in OOD performance. - In these cases, studies on OOD generalization that use ID performance for model selection (a common recommended practice) will necessarily miss the best-performing models, making these studies blind to a whole range of phenomena.

The Maximal Update Parametrization (muP) aims to make the optimal hyperparameters (HPs) of a model independent of its size, allowing them to be swept using a cheap proxy model rather than the full-size target model. We present a new scheme, u-muP, which improves upon muP by combining it with Unit Scaling, a method for designing models that makes them easy to train in low-precision. The two techniques have a natural affinity: muP ensures that the scale of activations is independent of model size, and Unit Scaling ensures that activations, weights and gradients begin training with a scale of one. This synthesis opens the door to a simpler scheme, whose default values are near-optimal. This in turn facilitates a more efficient sweeping strategy, with u-muP models reaching a lower loss than comparable muP models and working out-of-the-box in FP8.

We consider the problem of linear estimation, and establish an extension of the Gauss-Markov theorem, in which the bias operator is allowed to be non-zero but bounded with respect to a matrix norm of Schatten type. We derive simple and explicit formulas for the optimal estimator in the cases of Nuclear and Spectral norms (with the Frobenius case recovering ridge regression). Additionally, we analytically derive the generalization error in multiple random matrix ensembles, and compare with Ridge regression. Finally, we conduct an extensive simulation study, in which we show that the cross-validated Nuclear and Spectral regressors can outperform Ridge in several circumstances.

It is believed that Gradient Descent (GD) induces an implicit bias towards good generalization in training machine learning models. This paper provides a fine-grained analysis of the dynamics of GD for the matrix sensing problem, whose goal is to recover a low-rank ground-truth matrix from near-isotropic linear measurements. It is shown that GD with small initialization behaves similarly to the greedy low-rank learning heuristics (Li et al., 2020) and follows an incremental learning procedure (Gissin et al., 2019): GD sequentially learns solutions with increasing ranks until it recovers the ground truth matrix. Compared to existing works which only analyze the first learning phase for rank-1 solutions, our result provides characterizations for the whole learning process. Moreover, besides the over-parameterized regime that many prior works focused on, our analysis of the incremental learning procedure also applies to the under-parameterized regime. Finally, we conduct numerical experiments to confirm our theoretical findings.

Pre-trained diffusion models have been successfully used as priors in a variety of linear inverse problems, where the goal is to reconstruct a signal from noisy linear measurements. However, existing approaches require knowledge of the linear operator. In this paper, we propose GibbsDDRM, an extension of Denoising Diffusion Restoration Models (DDRM) to a blind setting in which the linear measurement operator is unknown. GibbsDDRM constructs a joint distribution of the data, measurements, and linear operator by using a pre-trained diffusion model for the data prior, and it solves the problem by posterior sampling with an efficient variant of a Gibbs sampler. The proposed method is problem-agnostic, meaning that a pre-trained diffusion model can be applied to various inverse problems without fine-tuning. In experiments, it achieved high performance on both blind image deblurring and vocal dereverberation tasks, despite the use of simple generic priors for the underlying linear operators.

Recently, diffusion models have been used to solve various inverse problems in an unsupervised manner with appropriate modifications to the sampling process. However, the current solvers, which recursively apply a reverse diffusion step followed by a projection-based measurement consistency step, often produce suboptimal results. By studying the generative sampling path, here we show that current solvers throw the sample path off the data manifold, and hence the error accumulates. To address this, we propose an additional correction term inspired by the manifold constraint, which can be used synergistically with the previous solvers to make the iterations close to the manifold. The proposed manifold constraint is straightforward to implement within a few lines of code, yet boosts the performance by a surprisingly large margin. With extensive experiments, we show that our method is superior to the previous methods both theoretically and empirically, producing promising results in many applications such as image inpainting, colorization, and sparse-view computed tomography. Code available https://github.com/HJ-harry/MCG_diffusion

Image research has shown substantial attention in deblurring networks in recent years. Yet, their practical usage in real-world deblurring, especially motion blur, remains limited due to the lack of pixel-aligned training triplets (background, blurred image, and blur heat map) and restricted information inherent in blurred images. This paper presents a simple yet efficient framework to synthetic and restore motion blur images using Inertial Measurement Unit (IMU) data. Notably, the framework includes a strategy for training triplet generation, and a Gyroscope-Aided Motion Deblurring (GAMD) network for blurred image restoration. The rationale is that through harnessing IMU data, we can determine the transformation of the camera pose during the image exposure phase, facilitating the deduction of the motion trajectory (aka. blur trajectory) for each point inside the three-dimensional space. Thus, the synthetic triplets using our strategy are inherently close to natural motion blur, strictly pixel-aligned, and mass-producible. Through comprehensive experiments, we demonstrate the advantages of the proposed framework: only two-pixel errors between our synthetic and real-world blur trajectories, a marked improvement (around 33.17%) of the state-of-the-art deblurring method MIMO on Peak Signal-to-Noise Ratio (PSNR).

This paper proposes a unified diffusion framework (dubbed UniDiffuser) to fit all distributions relevant to a set of multi-modal data in one model. Our key insight is -- learning diffusion models for marginal, conditional, and joint distributions can be unified as predicting the noise in the perturbed data, where the perturbation levels (i.e. timesteps) can be different for different modalities. Inspired by the unified view, UniDiffuser learns all distributions simultaneously with a minimal modification to the original diffusion model -- perturbs data in all modalities instead of a single modality, inputs individual timesteps in different modalities, and predicts the noise of all modalities instead of a single modality. UniDiffuser is parameterized by a transformer for diffusion models to handle input types of different modalities. Implemented on large-scale paired image-text data, UniDiffuser is able to perform image, text, text-to-image, image-to-text, and image-text pair generation by setting proper timesteps without additional overhead. In particular, UniDiffuser is able to produce perceptually realistic samples in all tasks and its quantitative results (e.g., the FID and CLIP score) are not only superior to existing general-purpose models but also comparable to the bespoken models (e.g., Stable Diffusion and DALL-E 2) in representative tasks (e.g., text-to-image generation).

Understanding the gradient variance of black-box variational inference (BBVI) is a crucial step for establishing its convergence and developing algorithmic improvements. However, existing studies have yet to show that the gradient variance of BBVI satisfies the conditions used to study the convergence of stochastic gradient descent (SGD), the workhorse of BBVI. In this work, we show that BBVI satisfies a matching bound corresponding to the ABC condition used in the SGD literature when applied to smooth and quadratically-growing log-likelihoods. Our results generalize to nonlinear covariance parameterizations widely used in the practice of BBVI. Furthermore, we show that the variance of the mean-field parameterization has provably superior dimensional dependence.

Explaining the predictions of deep neural nets has been a topic of great interest in the computer vision literature. While several gradient-based interpretation schemes have been proposed to reveal the influential variables in a neural net's prediction, standard gradient-based interpretation frameworks have been commonly observed to lack robustness to input perturbations and flexibility for incorporating prior knowledge of sparsity and group-sparsity structures. In this work, we propose MoreauGrad as an interpretation scheme based on the classifier neural net's Moreau envelope. We demonstrate that MoreauGrad results in a smooth and robust interpretation of a multi-layer neural network and can be efficiently computed through first-order optimization methods. Furthermore, we show that MoreauGrad can be naturally combined with L_1-norm regularization techniques to output a sparse or group-sparse explanation which are prior conditions applicable to a wide range of deep learning applications. We empirically evaluate the proposed MoreauGrad scheme on standard computer vision datasets, showing the qualitative and quantitative success of the MoreauGrad approach in comparison to standard gradient-based interpretation methods.