OpenRaiser/Intern-Atlas huggingface dataset:
Scalable 3D Reconstruction From Single Particle X-Ray Diffraction Images Based on Online Machine Learning
Venue: arXiv cs.CV 2023
Year: 2023

X-ray free-electron lasers (XFELs) offer unique capabilities for measuring the structure and dynamics of biomolecules, helping us understand the basic building blocks of life. Notably, high-repetition-rate XFELs enable single particle imaging (X-ray SPI) where individual, weakly scattering biomolecules are imaged under near-physiological conditions with the opportunity to access fleeting states that cannot be captured in cryogenic or crystallized conditions. Existing X-ray SPI reconstruction algorithms, which estimate the unknown orientation of a particle in each captured image as well as its shared 3D structure, are inadequate in handling the massive datasets generated by these emerging XFELs. Here, we introduce X-RAI, an online reconstruction framework that estimates the structure of a 3D macromolecule from large X-ray SPI datasets. X-RAI consists of a convolutional encoder, which amortizes pose estimation over large datasets, as well as a physics-based decoder, which employs an implicit neural representation to enable high-quality 3D reconstruction in an end-to-end, self-supervised manner. We demonstrate that X-RAI achieves state-of-the-art performance for small-scale datasets in simulation and challenging experimental settings and demonstrate its unprecedented ability to process large datasets containing millions of diffraction images in an online fashion. These abilities signify a paradigm shift in X-ray SPI towards real-time capture and reconstruction.
Safe Reinforcement Learning with Instantaneous Constraints: The Role of Aggressive Exploration
Venue: arXiv cs.LG 2023
Year: 2023

This paper studies safe Reinforcement Learning (safe RL) with linear function approximation and under hard instantaneous constraints where unsafe actions must be avoided at each step. Existing studies have considered safe RL with hard instantaneous constraints, but their approaches rely on several key assumptions: $(i)$ the RL agent knows a safe action set for {\it every} state or knows a {\it safe graph} in which all the state-action-state triples are safe, and $(ii)$ the constraint/cost functions are {\it linear}. In this paper, we consider safe RL with instantaneous hard constraints without assumption $(i)$ and generalize $(ii)$ to Reproducing Kernel Hilbert Space (RKHS). Our proposed algorithm, LSVI-AE, achieves $\tilde{\cO}(\sqrt{d^3H^4K})$ regret and $\tilde{\cO}(H \sqrt{dK})$ hard constraint violation when the cost function is linear and $\cO(Hγ_K \sqrt{K})$ hard constraint violation when the cost function belongs to RKHS. Here $K$ is the learning horizon, $H$ is the length of each episode, and $γ_K$ is the information gain w.r.t the kernel used to approximate cost functions. Our results achieve the optimal dependency on the learning horizon $K$, matching the lower bound we provide in this paper and demonstrating the efficiency of LSVI-AE. Notably, the design of our approach encourages aggressive policy exploration, providing a unique perspective on safe RL with general cost functions and no prior knowledge of safe actions, which may be of independent interest.
Navigating the Concurrency Landscape: A Survey of Race Condition Vulnerability Detectors
Venue: arXiv cs.CR 2023
Year: 2023

As technology continues to advance and we usher in the era of Industry 5.0, there has been a profound paradigm shift in operating systems, file systems, web, and network applications. The conventional utilization of multiprocessing and multicore systems has made concurrent programming increasingly pervasive. However, this transformation has brought about a new set of issues known as concurrency bugs, which, due to their wide prevalence in concurrent programs, have led to severe failures and potential security exploits. Over the past two decades, numerous researchers have dedicated their efforts to unveiling, detecting, mitigating, and preventing these bugs, with the last decade witnessing a surge in research within this domain. Among the spectrum of concurrency bugs, data races or race condition vulnerabilities stand out as the most prevalent, accounting for a staggering 80\% of all concurrency bugs. This survey paper is focused on the realm of race condition bug detectors. We systematically categorize these detectors based on the diverse methodologies they employ. Additionally, we delve into the techniques and algorithms associated with race detection, tracing the evolution of this field over time. Furthermore, we shed light on the application of fuzzing techniques in the detection of race condition vulnerabilities. By reviewing these detectors and their static analyses, we draw conclusions and outline potential future research directions, including enhancing accuracy, performance, applicability, and comprehensiveness in race condition vulnerability detection.
Beam Foreseeing in Millimeter-Wave Systems with Situational Awareness: Fundamental Limits via Cramér-Rao Lower Bound
Venue: arXiv cs.SI 2023
Year: 2023

Millimeter-wave (mmWave) networks offer the potential for high-speed data transfer and precise localization, leveraging large antenna arrays and extensive bandwidths. However, these networks are challenged by significant path loss and susceptibility to blockages. In this study, we delve into the use of situational awareness for beam prediction within the 5G NR beam management framework. We introduce an analytical framework based on the Cramér-Rao Lower Bound, enabling the quantification of 6D position-related information of geometric reflectors. This includes both 3D locations and 3D orientation biases, facilitating accurate determinations of the beamforming gain achievable by each reflector or candidate beam. This framework empowers us to predict beam alignment performance at any given location in the environment, ensuring uninterrupted wireless access. Our analysis offers critical insights for choosing the most effective beam and antenna module strategies, particularly in scenarios where communication stability is threatened by blockages. Simulation results show that our approach closely approximates the performance of an ideal, Oracle-based solution within the existing 5G NR beam management system.
3-anti-power uniform morphisms
Venue: arXiv cs.FL 2023
Year: 2023

Words whose three successive factors of the same length are all different i.e. 3-anti-power words are a natural extension of square-free words (two successive factors of the same length are different). We give a way to verify whether a uniform morphism preserves 3-anti-power words (the image of a 3-anti-power word is a 3-anti-power word). A consequence of the existence of such morphisms is the possibility of generating an infinite 3-anti-power word.
Multi-view user representation learning for user matching without personal information
Venue: arXiv cs.IR 2023
Year: 2023

As the digitization of travel industry accelerates, analyzing and understanding travelers' behaviors becomes increasingly important. However, traveler data frequently exhibit high data sparsity due to the relatively low frequency of user interactions with travel providers. Compounding this effect the multiplication of devices, accounts and platforms while browsing travel products online also leads to data dispersion. To deal with these challenges, probabilistic traveler matching can be used. Most existing solutions for user matching are not suitable for traveler matching as a traveler's browsing history is typically short and URLs in the travel industry are very heterogeneous with many tokens. To deal with these challenges, we propose the similarity based multi-view information fusion to learn a better user representation from URLs by treating the URLs as multi-view data. The experimental results show that the proposed multi-view user representation learning can take advantage of the complementary information from different views, highlight the key information in URLs and perform significantly better than other representation learning solutions for the user matching task.
BSS-Bench: Towards Reproducible and Effective Band Selection Search
Venue: arXiv cs.CV 2023
Year: 2023

The key technology to overcome the drawbacks of hyperspectral imaging (expensive, high capture delay, and low spatial resolution) and make it widely applicable is to select only a few representative bands from hundreds of bands. However, current band selection (BS) methods face challenges in fair comparisons due to inconsistent train/validation settings, including the number of bands, dataset splits, and retraining settings. To make BS methods easy and reproducible, this paper presents the first band selection search benchmark (BSS-Bench) containing 52k training and evaluation records of numerous band combinations (BC) with different backbones for various hyperspectral analysis tasks. The creation of BSS-Bench required a significant computational effort of 1.26k GPU days. By querying BSS-Bench, BS experiments can be performed easily and reproducibly, and the gap between the searched result and the best achievable performance can be measured. Based on BSS-Bench, we further discuss the impact of various factors on BS, such as the number of bands, unsupervised statistics, and different backbones. In addition to BSS-Bench, we present an effective one-shot BS method called Single Combination One Shot (SCOS), which learns the priority of any BCs through one-time training, eliminating the need for repetitive retraining on different BCs. Furthermore, the search process of SCOS is flexible and does not require training, making it efficient and effective. Our extensive evaluations demonstrate that SCOS outperforms current BS methods on multiple tasks, even with much fewer bands. Our BSS-Bench and codes are available in the supplementary material and will be publicly available.
Data is Moody: Discovering Data Modification Rules from Process Event Logs
Venue: arXiv cs.LG 2023
Year: 2023

Although event logs are a powerful source to gain insight about the behavior of the underlying business process, existing work primarily focuses on finding patterns in the activity sequences of an event log, while ignoring event attribute data. Event attribute data has mostly been used to predict event occurrences and process outcome, but the state of the art neglects to mine succinct and interpretable rules how event attribute data changes during process execution. Subgroup discovery and rule-based classification approaches lack the ability to capture the sequential dependencies present in event logs, and thus lead to unsatisfactory results with limited insight into the process behavior. Given an event log, we are interested in finding accurate yet succinct and interpretable if-then rules how the process modifies data. We formalize the problem in terms of the Minimum Description Length (MDL) principle, by which we choose the model with the best lossless description of the data. Additionally, we propose the greedy Moody algorithm to efficiently search for rules. By extensive experiments on both synthetic and real-world data, we show Moody indeed finds compact and interpretable rules, needs little data for accurate discovery, and is robust to noise.
Non-Denoising Forward-Time Diffusions
Venue: arXiv cs.LG 2023
Year: 2023

The scope of this paper is generative modeling through diffusion processes. An approach falling within this paradigm is the work of Song et al. (2021), which relies on a time-reversal argument to construct a diffusion process targeting the desired data distribution. We show that the time-reversal argument, common to all denoising diffusion probabilistic modeling proposals, is not necessary. We obtain diffusion processes targeting the desired data distribution by taking appropriate mixtures of diffusion bridges. The resulting transport is exact by construction, allows for greater flexibility in choosing the dynamics of the underlying diffusion, and can be approximated by means of a neural network via novel training objectives. We develop a unifying view of the drift adjustments corresponding to our and to time-reversal approaches and make use of this representation to inspect the inner workings of diffusion-based generative models. Finally, we leverage on scalable simulation and inference techniques common in spatial statistics to move beyond fully factorial distributions in the underlying diffusion dynamics. The methodological advances contained in this work contribute toward establishing a general framework for generative modeling based on diffusion processes.
Explainable Multi-Camera 3D Object Detection with Transformer-Based Saliency Maps
Venue: arXiv cs.CV 2023
Year: 2023

Vision Transformers (ViTs) have achieved state-of-the-art results on various computer vision tasks, including 3D object detection. However, their end-to-end implementation also makes ViTs less explainable, which can be a challenge for deploying them in safety-critical applications, such as autonomous driving, where it is important for authorities, developers, and users to understand the model's reasoning behind its predictions. In this paper, we propose a novel method for generating saliency maps for a DetR-like ViT with multiple camera inputs used for 3D object detection. Our method is based on the raw attention and is more efficient than gradient-based methods. We evaluate the proposed method on the nuScenes dataset using extensive perturbation tests and show that it outperforms other explainability methods in terms of visual quality and quantitative metrics. We also demonstrate the importance of aggregating attention across different layers of the transformer. Our work contributes to the development of explainable AI for ViTs, which can help increase trust in AI applications by establishing more transparency regarding the inner workings of AI models.
Tuning-Free Inversion-Enhanced Control for Consistent Image Editing
Venue: arXiv cs.CV 2023
Year: 2023

Consistent editing of real images is a challenging task, as it requires performing non-rigid edits (e.g., changing postures) to the main objects in the input image without changing their identity or attributes. To guarantee consistent attributes, some existing methods fine-tune the entire model or the textual embedding for structural consistency, but they are time-consuming and fail to perform non-rigid edits. Other works are tuning-free, but their performances are weakened by the quality of Denoising Diffusion Implicit Model (DDIM) reconstruction, which often fails in real-world scenarios. In this paper, we present a novel approach called Tuning-free Inversion-enhanced Control (TIC), which directly correlates features from the inversion process with those from the sampling process to mitigate the inconsistency in DDIM reconstruction. Specifically, our method effectively obtains inversion features from the key and value features in the self-attention layers, and enhances the sampling process by these inversion features, thus achieving accurate reconstruction and content-consistent editing. To extend the applicability of our method to general editing scenarios, we also propose a mask-guided attention concatenation strategy that combines contents from both the inversion and the naive DDIM editing processes. Experiments show that the proposed method outperforms previous works in reconstruction and consistent editing, and produces impressive results in various settings.
A Language-based solution to enable Metaverse Retrieval
Venue: arXiv cs.CV 2023
Year: 2023

Recently, the Metaverse is becoming increasingly attractive, with millions of users accessing the many available virtual worlds. However, how do users find the one Metaverse which best fits their current interests? So far, the search process is mostly done by word of mouth, or by advertisement on technology-oriented websites. However, the lack of search engines similar to those available for other multimedia formats (e.g., YouTube for videos) is showing its limitations, since it is often cumbersome to find a Metaverse based on some specific interests using the available methods, while also making it difficult to discover user-created ones which lack strong advertisement. To address this limitation, we propose to use language to naturally describe the desired contents of the Metaverse a user wishes to find. Second, we highlight that, differently from more conventional 3D scenes, Metaverse scenarios represent a more complex data format since they often contain one or more types of multimedia which influence the relevance of the scenario itself to a user query. Therefore, in this work, we create a novel task, called Text-to-Metaverse retrieval, which aims at modeling these aspects while also taking the cross-modal relations with the textual data into account. Since we are the first ones to tackle this problem, we also collect a dataset of 33000 Metaverses, each of which consists of a 3D scene enriched with multimedia content. Finally, we design and implement a deep learning framework based on contrastive learning, resulting in a thorough experimental setup.
Fluid Simulation on Neural Flow Maps
Venue: arXiv cs.GR 2023
Year: 2023

We introduce Neural Flow Maps, a novel simulation method bridging the emerging paradigm of implicit neural representations with fluid simulation based on the theory of flow maps, to achieve state-of-the-art simulation of inviscid fluid phenomena. We devise a novel hybrid neural field representation, Spatially Sparse Neural Fields (SSNF), which fuses small neural networks with a pyramid of overlapping, multi-resolution, and spatially sparse grids, to compactly represent long-term spatiotemporal velocity fields at high accuracy. With this neural velocity buffer in hand, we compute long-term, bidirectional flow maps and their Jacobians in a mechanistically symmetric manner, to facilitate drastic accuracy improvement over existing solutions. These long-range, bidirectional flow maps enable high advection accuracy with low dissipation, which in turn facilitates high-fidelity incompressible flow simulations that manifest intricate vortical structures. We demonstrate the efficacy of our neural fluid simulation in a variety of challenging simulation scenarios, including leapfrogging vortices, colliding vortices, vortex reconnections, as well as vortex generation from moving obstacles and density differences. Our examples show increased performance over existing methods in terms of energy conservation, visual complexity, adherence to experimental observations, and preservation of detailed vortical structures.
Global Occlusion-Aware Transformer for Robust Stereo Matching
Venue: arXiv cs.CV 2023
Year: 2023

Despite the remarkable progress facilitated by learning-based stereo-matching algorithms, the performance in the ill-conditioned regions, such as the occluded regions, remains a bottleneck. Due to the limited receptive field, existing CNN-based methods struggle to handle these ill-conditioned regions effectively. To address this issue, this paper introduces a novel attention-based stereo-matching network called Global Occlusion-Aware Transformer (GOAT) to exploit long-range dependency and occlusion-awareness global context for disparity estimation. In the GOAT architecture, a parallel disparity and occlusion estimation module PDO is proposed to estimate the initial disparity map and the occlusion mask using a parallel attention mechanism. To further enhance the disparity estimates in the occluded regions, an occlusion-aware global aggregation module (OGA) is proposed. This module aims to refine the disparity in the occluded regions by leveraging restricted global correlation within the focus scope of the occluded areas. Extensive experiments were conducted on several public benchmark datasets including SceneFlow, KITTI 2015, and Middlebury. The results show that the proposed GOAT demonstrates outstanding performance among all benchmarks, particularly in the occluded regions.
Pola4All: survey of polarimetric applications and an open-source toolkit to analyze polarization
Venue: arXiv cs.CV 2023
Year: 2023

Polarization information of the light can provide rich cues for computer vision and scene understanding tasks, such as the type of material, pose, and shape of the objects. With the advent of new and cheap polarimetric sensors, this imaging modality is becoming accessible to a wider public for solving problems such as pose estimation, 3D reconstruction, underwater navigation, and depth estimation. However, we observe several limitations regarding the usage of this sensorial modality, as well as a lack of standards and publicly available tools to analyze polarization images. Furthermore, although polarization camera manufacturers usually provide acquisition tools to interface with their cameras, they rarely include processing algorithms that make use of the polarization information. In this paper, we review recent advances in applications that involve polarization imaging, including a comprehensive survey of recent advances on polarization for vision and robotics perception tasks. We also introduce a complete software toolkit that provides common standards to communicate with and process information from most of the existing micro-grid polarization cameras on the market. The toolkit also implements several image processing algorithms for this modality, and it is publicly available on GitHub: https://github.com/vibot-lab/Pola4all_JEI_2023.
Images in Discrete Choice Modeling: Addressing Data Isomorphism in Multi-Modality Inputs
Venue: arXiv cs.CV 2023
Year: 2023

This paper explores the intersection of Discrete Choice Modeling (DCM) and machine learning, focusing on the integration of image data into DCM's utility functions and its impact on model interpretability. We investigate the consequences of embedding high-dimensional image data that shares isomorphic information with traditional tabular inputs within a DCM framework. Our study reveals that neural network (NN) components learn and replicate tabular variable representations from images when co-occurrences exist, thereby compromising the interpretability of DCM parameters. We propose and benchmark two methodologies to address this challenge: architectural design adjustments to segregate redundant information, and isomorphic information mitigation through source information masking and inpainting. Our experiments, conducted on a semi-synthetic dataset, demonstrate that while architectural modifications prove inconclusive, direct mitigation at the data source shows to be a more effective strategy in maintaining the integrity of DCM's interpretable parameters. The paper concludes with insights into the applicability of our findings in real-world settings and discusses the implications for future research in hybrid modeling that combines complex data modalities. Full control of tabular and image data congruence is attained by using the MIT moral machine dataset, and both inputs are merged into a choice model by deploying the Learning Multinomial Logit (L-MNL) framework.