Meta-Exploiting Frequency Prior for Cross-Domain Few-Shot Learning

Meta-learning offers a promising avenue for few-shot learning (FSL), enabling models to glean a generalizable feature embedding through episodic training on synthetic FSL tasks in a source domain. Yet, in practical scenarios where the target task diverges from that in the source domain, meta-learning based method is susceptible to over-fitting. To overcome this, we introduce a novel framework, Meta-Exploiting Frequency Prior for Cross-Domain Few-Shot Learning, which is crafted to comprehensively exploit the cross-domain transferable image prior that each image can be decomposed into complementary low-frequency content details and high-frequency robust structural characteristics. Motivated by this insight, we propose to decompose each query image into its high-frequency and low-frequency components, and parallel incorporate them into the feature embedding network to enhance the final category prediction. More importantly, we introduce a feature reconstruction prior and a prediction consistency prior to separately encourage the consistency of the intermediate feature as well as the final category prediction between the original query image and its decomposed frequency components. This allows for collectively guiding the network's meta-learning process with the aim of learning generalizable image feature embeddings, while not introducing any extra computational cost in the inference phase. Our framework establishes new state-of-the-art results on multiple cross-domain few-shot learning benchmarks.

Grand canonical generative diffusion model for crystalline phases and grain boundaries

The diffusion model has emerged as a powerful tool for generating atomic structures for materials science. This work calls attention to the deficiency of current particle-based diffusion models, which represent atoms as a point cloud, in generating even the simplest ordered crystalline structures. The problem is attributed to particles being trapped in local minima during the score-driven simulated annealing of the diffusion process, similar to the physical process of force-driven simulated annealing. We develop a solution, the grand canonical diffusion model, which adopts an alternative voxel-based representation with continuous rather than fixed number of particles. The method is applied towards generation of several common crystalline phases as well as the technologically important and challenging problem of grain boundary structures.

Sparse Prior Is Not All You Need: When Differential Directionality Meets Saliency Coherence for Infrared Small Target Detection

Infrared small target detection is crucial for the efficacy of infrared search and tracking systems. Current tensor decomposition methods emphasize representing small targets with sparsity but struggle to separate targets from complex backgrounds due to insufficient use of intrinsic directional information and reduced target visibility during decomposition. To address these challenges, this study introduces a Sparse Differential Directionality prior (SDD) framework. SDD leverages the distinct directional characteristics of targets to differentiate them from the background, applying mixed sparse constraints on the differential directional images and continuity difference matrix of the temporal component, both derived from Tucker decomposition. We further enhance target detectability with a saliency coherence strategy that intensifies target contrast against the background during hierarchical decomposition. A Proximal Alternating Minimization-based (PAM) algorithm efficiently solves our proposed model. Experimental results on several real-world datasets validate our method's effectiveness, outperforming ten state-of-the-art methods in target detection and clutter suppression. Our code is available at https://github.com/GrokCV/SDD.

Geometric Distortion Guided Transformer for Omnidirectional Image Super-Resolution

As virtual and augmented reality applications gain popularity, omnidirectional image (ODI) super-resolution has become increasingly important. Unlike 2D plain images that are formed on a plane, ODIs are projected onto spherical surfaces. Applying established image super-resolution methods to ODIs, therefore, requires performing equirectangular projection (ERP) to map the ODIs onto a plane. ODI super-resolution needs to take into account geometric distortion resulting from ERP. However, without considering such geometric distortion of ERP images, previous deep-learning-based methods only utilize a limited range of pixels and may easily miss self-similar textures for reconstruction. In this paper, we introduce a novel Geometric Distortion Guided Transformer for Omnidirectional image Super-Resolution (GDGT-OSR). Specifically, a distortion modulated rectangle-window self-attention mechanism, integrated with deformable self-attention, is proposed to better perceive the distortion and thus involve more self-similar textures. Distortion modulation is achieved through a newly devised distortion guidance generator that produces guidance by exploiting the variability of distortion across latitudes. Furthermore, we propose a dynamic feature aggregation scheme to adaptively fuse the features from different self-attention modules. We present extensive experimental results on public datasets and show that the new GDGT-OSR outperforms methods in existing literature.

Vision Language Modeling of Content, Distortion and Appearance for Image Quality Assessment

The visual quality of an image is confounded by a number of intertwined factors including its semantic content, distortion characteristics and appearance properties such as brightness, contrast, sharpness, and colourfulness. Distilling high level knowledge about all these quality bearing attributes is crucial for developing objective Image Quality Assessment (IQA).While existing solutions have modeled some of these aspects, a comprehensive solution that involves all these important quality related attributes has not yet been developed. In this paper, we present a new blind IQA (BIQA) model termed Self-supervision and Vision-Language supervision Image QUality Evaluator (SLIQUE) that features a joint vision-language and visual contrastive representation learning framework for acquiring high level knowledge about the images semantic contents, distortion characteristics and appearance properties for IQA. For training SLIQUE, we have developed a systematic approach to constructing a first of its kind large image database annotated with all three categories of quality relevant texts. The Text Annotated Distortion, Appearance and Content (TADAC) database has over 1.6 million images annotated with textual descriptions of their semantic contents, distortion characteristics and appearance properties. The method for constructing TADAC and the database itself will be particularly useful for exploiting vision-language modeling for advanced IQA applications. Extensive experimental results show that SLIQUE has superior performances over state of the art, demonstrating the soundness of its design principle and the effectiveness of its implementation.

Characterization of dim light response in DVS pixel: Discontinuity of event triggering time

Dynamic Vision Sensors (DVS) have recently generated great interest because of the advantages of wide dynamic range and low latency compared with conventional frame-based cameras. However, the complicated behaviors in dim light conditions are still not clear, restricting the applications of DVS. In this paper, we analyze the typical DVS circuit, and find that there exists discontinuity of event triggering time. In dim light conditions, the discontinuity becomes prominent. We point out that the discontinuity depends exclusively on the changing speed of light intensity. Experimental results on real event data validate the analysis and the existence of discontinuity that reveals the non-first-order behaviors of DVS in dim light conditions.

Information theory unifies atomistic machine learning, uncertainty quantification, and materials thermodynamics

An accurate description of information is relevant for a range of problems in atomistic modeling, such as sampling methods, detecting rare events, analyzing datasets, or performing uncertainty quantification (UQ) in machine learning (ML)-driven simulations. Although individual methods have been proposed for each of these tasks, they lack a common theoretical background integrating their solutions. Here, we introduce an information theoretical framework that unifies predictions of phase transformations, kinetic events, dataset optimality, and model-free UQ from atomistic simulations, thus bridging materials modeling, ML, and statistical mechanics. We first demonstrate that, for a proposed representation, the information entropy of a distribution of atom-centered environments is a surrogate value for thermodynamic entropy. Using molecular dynamics (MD) simulations, we show that information entropy differences from trajectories can be used to build phase diagrams, identify rare events, and recover classical theories of nucleation. Building on these results, we use this general concept of entropy to quantify information in datasets for ML interatomic potentials (IPs), informing compression, explaining trends in testing errors, and evaluating the efficiency of active learning strategies. Finally, we propose a model-free UQ method for MLIPs using information entropy, showing it reliably detects extrapolation regimes, scales to millions of atoms, and goes beyond model errors. This method is made available as the package QUESTS: Quick Uncertainty and Entropy via STructural Similarity, providing a new unifying theory for data-driven atomistic modeling and combining efforts in ML, first-principles thermodynamics, and simulations.

LTAU-FF: Loss Trajectory Analysis for Uncertainty in Atomistic Force Fields

Model ensembles are simple and effective tools for estimating the prediction uncertainty of deep learning atomistic force fields. Despite this, widespread adoption of ensemble-based uncertainty quantification (UQ) techniques is limited by the high computational costs incurred by ensembles during both training and inference. In this work we leverage the cumulative distribution functions (CDFs) of per-sample errors obtained over the course of training to efficiently represent the model ensemble, and couple them with a distance-based similarity search in the model latent space. Using these tools, we develop a simple UQ metric (which we call LTAU) that leverages the strengths of ensemble-based techniques without requiring the evaluation of multiple models during either training or inference. As an initial test, we apply our method towards estimating the epistemic uncertainty in atomistic force fields (LTAU-FF) and demonstrate that it can be easily calibrated to accurately predict test errors on multiple datasets from the literature. We then illustrate the utility of LTAU-FF in two practical applications: 1) tuning the training-validation gap for an example dataset, and 2) predicting errors in relaxation trajectories on the OC20 IS2RS task. Though in this work we focus on the use of LTAU with deep learning atomistic force fields, we emphasize that it can be readily applied to any regression task, or any ensemble-generation technique, to provide a reliable and easy-to-implement UQ metric.

Spectroscopy-Guided Discovery of Three-Dimensional Structures of Disordered Materials with Diffusion Models

The ability to rapidly develop materials with desired properties has a transformative impact on a broad range of emerging technologies. In this work, we introduce a new framework based on the diffusion model, a recent generative machine learning method to predict 3D structures of disordered materials from a target property. For demonstration, we apply the model to identify the atomic structures of amorphous carbons ($a$-C) as a representative material system from the target X-ray absorption near edge structure (XANES) spectra--a common experimental technique to probe atomic structures of materials. We show that conditional generation guided by XANES spectra reproduces key features of the target structures. Furthermore, we show that our model can steer the generative process to tailor atomic arrangements for a specific XANES spectrum. Finally, our generative model exhibits a remarkable scale-agnostic property, thereby enabling generation of realistic, large-scale structures through learning from a small-scale dataset (i.e., with small unit cells). Our work represents a significant stride in bridging the gap between materials characterization and atomic structure determination; in addition, it can be leveraged for materials discovery in exploring various material properties as targeted.

Linear normalised hash function for clustering gene sequences and identifying reference sequences from multiple sequence alignments

The aim of this study was to develop a method that would identify the cluster centroids and the optimal number of clusters for a given sensitivity level and could work equally well for the different sequence datasets. A novel method that combines the linear mapping hash function and multiple sequence alignment (MSA) was developed. This method takes advantage of the already sorted by similarity sequences from the MSA output, and identifies the optimal number of clusters, clusters cut-offs, and clusters centroids that can represent reference gene vouchers for the different species. The linear mapping hash function can map an already ordered by similarity distance matrix to indices to reveal gaps in the values around which the optimal cut-offs of the different clusters can be identified. The method was evaluated using sets of closely related (16S rRNA gene sequences of Nocardia species) and highly variable (VP1 genomic region of Enterovirus 71) sequences and outperformed existing unsupervised machine learning clustering methods and dimensionality reduction methods. This method does not require prior knowledge of the number of clusters or the distance between clusters, handles clusters of different sizes and shapes, and scales linearly with the dataset. The combination of MSA with the linear mapping hash function is a computationally efficient way of gene sequence clustering and can be a valuable tool for the assessment of similarity, clustering of different microbial genomes, identifying reference sequences, and for the study of evolution of bacteria and viruses.