Most existing out-of-distribution (OOD) detection benchmarks classify samples with novel labels as the OOD data. However, some marginal OOD samples actually have close semantic contents to the in-distribution (ID) sample, which makes determining the OOD sample a Sorites Paradox. In this paper, we construct a benchmark named Incremental Shift OOD (IS-OOD) to address the issue, in which we divide the test samples into subsets with different semantic and covariate shift degrees relative to the ID dataset. The data division is achieved through a shift measuring method based on our proposed Language Aligned Image feature Decomposition (LAID). Moreover, we construct a Synthetic Incremental Shift (Syn-IS) dataset that contains high-quality generated images with more diverse covariate contents to complement the IS-OOD benchmark. We evaluate current OOD detection methods on our benchmark and find several important insights: (1) The performance of most OOD detection methods significantly improves as the semantic shift increases; (2) Some methods like GradNorm may have different OOD detection mechanisms as they rely less on semantic shifts to make decisions; (3) Excessive covariate shifts in the image are also likely to be considered as OOD for some methods. Our code and data are released in https://github.com/qqwsad5/IS-OOD.

Multi-Channel Imaging (MCI) contains an array of challenges for encoding useful feature representations not present in traditional images. For example, images from two different satellites may both contain RGB channels, but the remaining channels can be different for each imaging source. Thus, MCI models must support a variety of channel configurations at test time. Recent work has extended traditional visual encoders for MCI, such as Vision Transformers (ViT), by supplementing pixel information with an encoding representing the channel configuration. However, these methods treat each channel equally, i.e., they do not consider the unique properties of each channel type, which can result in needless and potentially harmful redundancies in the learned features.

Snapshot compressive imaging (SCI) recovers high-dimensional (3D) data cubes from a single 2D measurement, enabling diverse applications like video and hyperspectral imaging to go beyond standard techniques in terms of acquisition speed and efficiency. In this paper, we focus on SCI recovery algorithms that employ untrained neural networks (UNNs), such as deep image prior (DIP), to model source structure. Such UNN-based methods are appealing as they have the potential of avoiding the computationally intensive retraining required for different source models and different measurement scenarios. We first develop a theoretical framework for characterizing the performance of such UNN-based methods. The theoretical framework, on the one hand, enables us to optimize the parameters of data-modulating masks, and on the other hand, provides a fundamental connection between the number of data frames that can be recovered from a single measurement to the parameters of the untrained NN. We also employ the recently proposed bagged-deep-image-prior (bagged-DIP) idea to develop SCI Bagged Deep Video Prior (SCI-BDVP) algorithms that address the common challenges faced by standard UNN solutions. Our experimental results show that in video SCI our proposed solution achieves state-of-the-art among UNN methods, and in the case of noisy measurements, it even outperforms supervised solutions.

We introduce a doubly hierarchical generative representation for strand-based 3D hairstyle geometry that progresses from coarse, low-pass filtered guide hair to densely populated hair strands rich in high-frequency details. We employ the Discrete Cosine Transform (DCT) to separate low-frequency structural curves from high-frequency curliness and noise, avoiding the Gibbs' oscillation issues associated with the standard Fourier transform in open curves. Unlike the guide hair sampled from the scalp UV map grids which may lose capturing details of the hairstyle in existing methods, our method samples optimal sparse guide strands by utilising $k$-medoids clustering centres from low-pass filtered dense strands, which more accurately retain the hairstyle's inherent characteristics. The proposed variational autoencoder-based generation network, with an architecture inspired by geometric deep learning and implicit neural representations, facilitates flexible, off-the-grid guide strand modelling and enables the completion of dense strands in any quantity and density, drawing on principles from implicit neural representations. Empirical evaluations confirm the capacity of the model to generate convincing guide hair and dense strands, complete with nuanced high-frequency details.

There is a rising interest and trend in research towards directly translating speech from one language to another, known as end-to-end speech-to-speech translation. However, most end-to-end models struggle to outperform cascade models, i.e., a pipeline framework by concatenating speech recognition, machine translation and text-to-speech models. The primary challenges stem from the inherent complexities involved in direct translation tasks and the scarcity of data. In this study, we introduce a novel model framework TransVIP that leverages diverse datasets in a cascade fashion yet facilitates end-to-end inference through joint probability. Furthermore, we propose two separated encoders to preserve the speaker's voice characteristics and isochrony from the source speech during the translation process, making it highly suitable for scenarios such as video dubbing. Our experiments on the French-English language pair demonstrate that our model outperforms the current state-of-the-art speech-to-speech translation model.

In this study, we introduce a unified neural network architecture, the Deep Equilibrium Density Functional Theory Hamiltonian (DEQH) model, which incorporates Deep Equilibrium Models (DEQs) for predicting Density Functional Theory (DFT) Hamiltonians. The DEQH model inherently captures the self-consistency nature of Hamiltonian, a critical aspect often overlooked by traditional machine learning approaches for Hamiltonian prediction. By employing DEQ within our model architecture, we circumvent the need for DFT calculations during the training phase to introduce the Hamiltonian's self-consistency, thus addressing computational bottlenecks associated with large or complex systems. We propose a versatile framework that combines DEQ with off-the-shelf machine learning models for predicting Hamiltonians. When benchmarked on the MD17 and QH9 datasets, DEQHNet, an instantiation of the DEQH framework, has demonstrated a significant improvement in prediction accuracy. Beyond a predictor, the DEQH model is a Hamiltonian solver, in the sense that it uses the fixed-point solving capability of the deep equilibrium model to iteratively solve for the Hamiltonian.

The Schrödinger Bridge (SB) problem offers a powerful framework for combining optimal transport and diffusion models. A promising recent approach to solve the SB problem is the Iterative Markovian Fitting (IMF) procedure, which alternates between Markovian and reciprocal projections of continuous-time stochastic processes. However, the model built by the IMF procedure has a long inference time due to using many steps of numerical solvers for stochastic differential equations. To address this limitation, we propose a novel Discrete-time IMF (D-IMF) procedure in which learning of stochastic processes is replaced by learning just a few transition probabilities in discrete time. Its great advantage is that in practice it can be naturally implemented using the Denoising Diffusion GAN (DD-GAN), an already well-established adversarial generative modeling technique. We show that our D-IMF procedure can provide the same quality of unpaired domain translation as the IMF, using only several generation steps instead of hundreds.

Diffusion models face significant challenges when employed for large-scale medical image reconstruction in real practice such as 3D Computed Tomography (CT).Due to the demanding memory, time, and data requirements, it is difficult to train a diffusion model directly on the entire volume of high-dimensional data to obtain an efficient 3D diffusion prior. Existing works utilizing diffusion priors on single 2D image slice with hand-crafted cross-slice regularization would sacrifice the z-axis consistency, which results in severe artifacts along the z-axis. In this work, we propose a novel framework that enables learning the 3D image prior through position-aware 3D-patch diffusion score blending for reconstructing large-scale 3D medical images. To the best of our knowledge, we are the first to utilize a 3D-patch diffusion prior for 3D medical image reconstruction. Extensive experiments on sparse view and limited angle CT reconstructionshow that our DiffusionBlend method significantly outperforms previous methodsand achieves state-of-the-art performance on real-world CT reconstruction problems with high-dimensional 3D image (i.e., $256 \times 256 \times 500$). Our algorithm also comes with better or comparable computational efficiency than previous state-of-the-art methods.

The Normalized cut (NCut) problem is a fundamental and yet notoriously difficult one in the unsupervised clustering field. Because the NCut problem is fractionally structured, the fractional programming (FP) based approach has worked its way into a new frontier. However, the conventional FP techniques are insufficient: the classic Dinkelbach's transform can only deal with a single ratio and hence is limited to the two-class clustering, while the state-of-the-art quadratic transform accounts for multiple ratios but fails to convert the NCut problem to a tractable form. This work advocates a novel extension of the quadratic transform to the multidimensional ratio case, thereby recasting the fractional 0-1 NCut problem into a bipartite matching problem---which can be readily solved in an iterative manner. Furthermore, we explore the connection between the proposed multidimensional FP method and the minorization-maximization theory to verify the convergence.

Cryo-electron microscopy (cryo-EM) is a powerful technique for determining high-resolution 3D biomolecular structures from imaging data. Its unique ability to capture structural variability has spurred the development of heterogeneous reconstruction algorithms that can infer distributions of 3D structures from noisy, unlabeled imaging data. Despite the growing number of advanced methods, progress in the field is hindered by the lack of standardized benchmarks with ground truth information and reliable validation metrics. Here, we introduce CryoBench, a suite of datasets, metrics, and benchmarks for heterogeneous reconstruction in cryo-EM. CryoBench includes five datasets representing different sources of heterogeneity and degrees of difficulty. These include conformational heterogeneity generated from designed motions of antibody complexes or sampled from a molecular dynamics simulation, as well as {compositional heterogeneity from mixtures of ribosome assembly states or 100 common complexes present in cells. We then analyze state-of-the-art heterogeneous reconstruction tools, including neural and non-neural methods, assess their sensitivity to noise, and propose new metrics for quantitative evaluation. We hope that CryoBench will be a foundational resource for accelerating algorithmic development and evaluation in the cryo-EM and machine learning communities.