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Recent advances in machine learning (ML) have expedited materials discovery and design. One significant challenge faced in ML for materials is the expansive combinatorial space of potential materials formed by diverse constituents and their flexible configurations. This complexity is particularly evident in molecular mixtures, a frequently explored space for materials such as battery electrolytes. Owing to the complex structures of molecules and the sequence-independent nature of mixtures, conventional ML methods have difficulties in modeling such systems. Here we present MolSets, a specialized ML model for molecular mixtures. Representing individual molecules as graphs and their mixture as a set, MolSets leverages a graph neural network and the deep sets architecture to extract information at the molecule level and aggregate it at the mixture level, thus addressing local complexity while retaining global flexibility. We demonstrate the efficacy of MolSets in predicting the conductivity of lithium battery electrolytes and highlight its benefits in virtual screening of the combinatorial chemical space., Comment: 21 pages, 4 figures, 2+4 tables, working paper

NIR-to-RGB spectral domain translation is a challenging task due to the mapping ambiguities, and existing methods show limited learning capacities. To address these challenges, we propose to colorize NIR images via a multi-scale progressive feature embedding network (MPFNet), with the guidance of grayscale image colorization. Specifically, we first introduce a domain translation module that translates NIR source images into the grayscale target domain. By incorporating a progressive training strategy, the statistical and semantic knowledge from both task domains are efficiently aligned with a series of pixel- and feature-level consistency constraints. Besides, a multi-scale progressive feature embedding network is designed to improve learning capabilities. Experiments show that our MPFNet outperforms state-of-the-art counterparts by 2.55 dB in the NIR-to-RGB spectral domain translation task in terms of PSNR., Comment: Accepted by IEEE VCIP 2023

Existing learning-based hyperspectral reconstruction methods show limitations in fully exploiting the information among the hyperspectral bands. As such, we propose to investigate the chromatic inter-dependencies in their respective hyperspectral embedding space. These embedded features can be fully exploited by querying the inter-channel correlations in a combinatorial manner, with the unique and complementary information efficiently fused into the final prediction. We found such independent modeling and combinatorial excavation mechanisms are extremely beneficial to uncover marginal spectral features, especially in the long wavelength bands. In addition, we have proposed a spatio-spectral attention block and a spectrum-fusion attention module, which greatly facilitates the excavation and fusion of information at both semantically long-range levels and fine-grained pixel levels across all dimensions. Extensive quantitative and qualitative experiments show that our method (dubbed CESST) achieves SOTA performance. Code for this project is at: https://github.com/AlexYangxx/CESST., Comment: Accepted by AAAI-24 Main Conference

Continuum reverberation mapping with high-cadence, long-term UV/optical monitoring of Active Galactic Nuclei (AGNs) enables us to resolve the AGN central engine sizes on different timescales. The frequency-resolved time lags of NGC 5548 (the target for the AGN STORM I campaign) are inconsistent with the X-ray reprocessing of the classical Shakura $\&$ Sunyaev disk model. Here we show that the frequency-resolved time lags in NGC 5548 can be well produced by the Corona-Heated Accretion-disk Reprocessing (CHAR) model. Moreover, we make the CHAR model predictions of the frequency-resolved time lags for Mrk 817, the source of the AGN STORM II campaign. We also obtain the frequency-resolved time lags as a function of the black-hole mass and Eddington ratio, which is valid for black-hole masses from $10^{6.5}$ to $10^9\ M_{\odot}$, and Eddington ratios from 0.01 to 1. Moreover, we demonstrate that, with the time spans of current continuum reverberation-mapping campaigns, the lag-luminosity relation of the CHAR model can be $\tau_{\mathrm{gz}}\propto L_{\mathrm{5100}}^{0.55\pm0.04}$, which is consistent with observations. Future observations can test our results and shed new light on resolving the AGN central engine., Comment: 15 pages, 10 figures, accepted by ApJ

Neural Radiance Fields (NeRF) have demonstrated impressive performance in novel view synthesis. However, NeRF and most of its variants still rely on traditional complex pipelines to provide extrinsic and intrinsic camera parameters, such as COLMAP. Recent works, like NeRFmm, BARF, and L2G-NeRF, directly treat camera parameters as learnable and estimate them through differential volume rendering. However, these methods work for forward-looking scenes with slight motions and fail to tackle the rotation scenario in practice. To overcome this limitation, we propose a novel \underline{c}amera parameter \underline{f}ree neural radiance field (CF-NeRF), which incrementally reconstructs 3D representations and recovers the camera parameters inspired by incremental structure from motion (SfM). Given a sequence of images, CF-NeRF estimates the camera parameters of images one by one and reconstructs the scene through initialization, implicit localization, and implicit optimization. To evaluate our method, we use a challenging real-world dataset NeRFBuster which provides 12 scenes under complex trajectories. Results demonstrate that CF-NeRF is robust to camera rotation and achieves state-of-the-art results without providing prior information and constraints., Comment: Accepted at the Thirty-Eighth AAAI Conference on Artificial Intelligence (AAAI24)

With the development of artificial intelligence and breakthroughs in deep learning, large-scale Foundation Models (FMs), such as GPT, Sora, etc., have achieved remarkable results in many fields including natural language processing and computer vision. The application of FMs in autonomous driving holds considerable promise. For example, they can contribute to enhancing scene understanding and reasoning. By pre-training on rich linguistic and visual data, FMs can understand and interpret various elements in a driving scene, and provide cognitive reasoning to give linguistic and action instructions for driving decisions and planning. Furthermore, FMs can augment data based on the understanding of driving scenarios to provide feasible scenes of those rare occurrences in the long tail distribution that are unlikely to be encountered during routine driving and data collection. The enhancement can subsequently lead to improvement in the accuracy and reliability of autonomous driving systems. Another testament to the potential of FMs' applications lies in World Models, exemplified by the DREAMER series, which showcases the ability to comprehend physical laws and dynamics. Learning from massive data under the paradigm of self-supervised learning, World Model can generate unseen yet plausible driving environments, facilitating the enhancement in the prediction of road users' behaviors and the off-line training of driving strategies. In this paper, we synthesize the applications and future trends of FMs in autonomous driving. By utilizing the powerful capabilities of FMs, we strive to tackle the potential issues stemming from the long-tail distribution in autonomous driving, consequently advancing overall safety in this domain., Comment: 45 pages,8 figures

The connected sum of two flat virtual knots depends on the choice of diagrams and basepoints. We show that any minimal crossing diagram of a composite flat virtual knot is a connected sum diagram. We also show the crossing number of flat virtual knots is super-additive under connected sum.

Speech dereverberation aims to alleviate the negative impact of late reverberant reflections. The weighted prediction error (WPE) method is a well-established technique known for its superior performance in dereverberation. However, in scenarios where microphone nodes are dispersed, the centralized approach of the WPE method requires aggregating all observations for inverse filtering, resulting in a significant computational burden. This paper introduces a distributed speech dereverberation method that emphasizes low computational complexity at each node. Specifically, we leverage the distributed adaptive node-specific signal estimation (DANSE) algorithm within the multichannel linear prediction (MCLP) process. This approach empowers each node to perform local operations with reduced complexity while achieving the global performance through inter-node cooperation. Experimental results validate the effectiveness of our proposed method, showcasing its ability to achieve efficient speech dereverberation in dispersed microphone node scenarios.

Speech dereverberation aims to alleviate the detrimental effects of late-reverberant components. While the weighted prediction error (WPE) method has shown superior performance in dereverberation, there is still room for further improvement in terms of performance and robustness in complex and noisy environments. Recent research has highlighted the effectiveness of integrating physics-based and data-driven methods, enhancing the performance of various signal processing tasks while maintaining interpretability. Motivated by these advancements, this paper presents a novel dereverberation frame-work, which incorporates data-driven methods for capturing speech priors within the WPE framework. The plug-and-play strategy (PnP), specifically the regularization by denoising (RED) strategy, is utilized to incorporate speech prior information learnt from data during the optimization problem solving iterations. Experimental results validate the effectiveness of the proposed approach.

Graph representation learning is fundamental for analyzing graph-structured data. Exploring invariant graph representations remains a challenge for most existing graph representation learning methods. In this paper, we propose a cross-view graph consistency learning (CGCL) method that learns invariant graph representations for link prediction. First, two complementary augmented views are derived from an incomplete graph structure through a bidirectional graph structure augmentation scheme. This augmentation scheme mitigates the potential information loss that is commonly associated with various data augmentation techniques involving raw graph data, such as edge perturbation, node removal, and attribute masking. Second, we propose a CGCL model that can learn invariant graph representations. A cross-view training scheme is proposed to train the proposed CGCL model. This scheme attempts to maximize the consistency information between one augmented view and the graph structure reconstructed from the other augmented view. Furthermore, we offer a comprehensive theoretical CGCL analysis. This paper empirically and experimentally demonstrates the effectiveness of the proposed CGCL method, achieving competitive results on graph datasets in comparisons with several state-of-the-art algorithms., Comment: 8 pages

Proportional-Integral-Derivative (PID) control has been the workhorse of control technology for about a century. Yet to this day, designing and tuning PID controllers relies mostly on either tabulated rules (Ziegler-Nichols) or on classical graphical techniques (Bode). Our goal in this paper is to take a fresh look on PID control in the context of optimizing stability margins for low-order (first- and second-order) linear time-invariant systems. Specifically, we seek to derive explicit expressions for gain and phase margins that are achievable using PID control, and thereby gain insights on the role of unstable poles and nonminimum-phase zeros in attaining robust stability. In particular, stability margins attained by PID control for minimum-phase systems match those obtained by more general control, while for nonminimum-phase systems, PID control achieves margins that are no worse than those of general control modulo a predetermined factor. Furthermore, integral action does not contribute to robust stabilization beyond what can be achieved by PD control alone.

This paper investigates the problem of data-driven stabilization for linear discrete-time switched systems with unknown switching dynamics. In the absence of noise, a data-based state feedback stabilizing controller can be obtained by solving a semi-definite program (SDP) on-the-fly, which automatically adapts to the changes of switching dynamics. However, when noise is present, the persistency of excitation condition based on the closed-loop data may be undermined, rendering the SDP infeasible. To address this issue, an auxiliary function-based switching control law is proposed, which only requires intermittent SDP solutions when its feasibility is guaranteed. By analyzing the relationship between the controller and the system switching times, it is shown that the proposed controller guarantees input-to-state practical stability (ISpS) of the closed-loop switched linear system, provided that the noise is bounded and the dynamics switches slowly enough. Two numerical examples are presented to verify the effectiveness of the proposed controller.

While most conversational agents are grounded on either free-text or structured knowledge, many knowledge corpora consist of hybrid sources. This paper presents the first conversational agent that supports the full generality of hybrid data access for large knowledge corpora, through a language we developed called SUQL (Structured and Unstructured Query Language). Specifically, SUQL extends SQL with free-text primitives (summary and answer), so information retrieval can be composed with structured data accesses arbitrarily in a formal, succinct, precise, and interpretable notation. With SUQL, we propose the first semantic parser, an LLM with in-context learning, that can handle hybrid data sources. Our in-context learning-based approach, when applied to the HybridQA dataset, comes within 8.9% exact match and 7.1% F1 of the SOTA, which was trained on 62K data samples. More significantly, unlike previous approaches, our technique is applicable to large databases and free-text corpora. We introduce a dataset consisting of crowdsourced questions and conversations on Yelp, a large, real restaurant knowledge base with structured and unstructured data. We show that our few-shot conversational agent based on SUQL finds an entity satisfying all user requirements 90.3% of the time, compared to 63.4% for a baseline based on linearization.

The rise of cyber-security concerns has brought significant attention to the analysis and design of cyber-physical systems (CPSs). Among the various types of cyberattacks, denial-of-service (DoS) attacks and false data injection (FDI) attacks can be easily launched and have become prominent threats. While resilient control against DoS attacks has received substantial research efforts, countermeasures developed against FDI attacks have been relatively limited, particularly when explicit system models are not available. To address this gap, the present paper focuses on the design of data-driven controllers for unknown linear systems subject to FDI attacks on the actuators, utilizing input-state data. To this end, a general FDI attack model is presented, which imposes minimally constraints on the switching frequency of attack channels and the magnitude of attack matrices. A dynamic state feedback control law is designed based on offline and online input-state data, which adapts to the channel switching of FDI attacks. This is achieved by solving two data-based semi-definite programs (SDPs) on-the-fly to yield a tight approximation of the set of subsystems consistent with both offline clean data and online attack-corrupted data. It is shown that under mild conditions on the attack, the proposed SDPs are recursively feasible and controller achieves exponential stability. Numerical examples showcase its effectiveness in mitigating the impact of FDI attacks.

The generation of nonuniform quadrupole states plays a crucial role in understanding various fascinating phenomena observed in the advancement of several research areas, e.g., multiferroic compounds, nonmagnetic superconductors, etc. In this work, we investigate the ground-state phase diagram of a generalized spin-3/2 bilinear-biquadratic-bicubic Heisenberg chain in the representation of multipolar operators. By numerical simulations with the large-scale density-matrix renormalization group (DMRG) method, we successfully identify a tetramerization phase and a stripe-Q phase. These phases are characterized by the emergence of nonuniform quadrupole orders resulting from the spontaneous breaking of translation symmetry. In particular, tetramerization phase refers to the quadrupole operators take a four-cycle, while the stripe-Q phase represents a striped pattern in quadrupole operators. Additionally, we demonstrate the presence of a Wess-Zumino-Witten (WZW) model with level k = 1 at the transition point between the dimerized (DM) phase and the Luttinger liquid (LL) phase, based on strong numerical findings.

Personal sound zone (PSZ) systems, which aim to create listening (bright) and silent (dark) zones in neighboring regions of space, are often based on time-varying acoustics. Conventional adaptive-based methods for handling PSZ tasks suffer from the collection and processing of acoustic transfer functions~(ATFs) between all the matching microphones and all the loudspeakers in a centralized manner, resulting in high calculation complexity and costly accuracy requirements. This paper presents a distributed pressure-matching (PM) method relying on diffusion adaptation (DPM-D) to spread the computational load amongst nodes in order to overcome these issues. The global PM problem is defined as a sum of local costs, and the diffusion adaption approach is then used to create a distributed solution that just needs local information exchanges. Simulations over multi-frequency bins and a computational complexity analysis are conducted to evaluate the properties of the algorithm and to compare it with centralized counterparts.

Observations of magnetic helicity transportation through the solar photosphere reflect the interaction of turbulent plasma movements and magnetic fields in the solar dynamo process. In this chapter, we have reviewed the research process of magnetic helicity inferred from the observed solar magnetic fields in the photosphere and also the solar morphological configurations with solar cycles. After introducing some achievements in the study of magnetic helicity, some key points would like to be summarized. The magnetic (current) helicity in the solar surface layer presents a statistical distribution similar to that of the sunspot butterfly diagram, but its maximum value is delayed from the extreme value of the sunspot butterfly diagram and corresponds in the phase with the statistical eruption of solar flares. During the spatial transport of magnetic (current) helicity from the interior of the sun into the interplanetary space at the time-space scale of the solar cycle, it shows the statistical distribution and the fluctuation with the hemispheric sign rule. These show that the current helicity and magnetic helicity transport calculation methods are complementary to each other. We also notice that the study of the inherent relationship between magnetic helicity and the solar cycle still depends on the observed accuracy of the solar magnetic field., Comment: 48 page,17 figures

This work explores the use of self-generated natural language explanations as an intermediate step for code-to-code translation with language models. Across three types of explanations and 19 programming languages constructed from the MultiPL-E dataset, we find the explanations to be particularly effective in the zero-shot case, improving performance by 12% on average. Improvements with natural language explanations are particularly pronounced on difficult programs. We release our dataset, code, and canonical solutions in all 19 languages., Comment: 9 pages, 4 figures, 5 tables, 48 pages total. To be published in EMNLP Findings 2023

Generative Face Video Coding (GFVC) techniques can exploit the compact representation of facial priors and the strong inference capability of deep generative models, achieving high-quality face video communication in ultra-low bandwidth scenarios. This paper conducts a comprehensive survey on the recent advances of the GFVC techniques and standardization efforts, which could be applicable to ultra low bitrate communication, user-specified animation/filtering and metaverse-related functionalities. In particular, we generalize GFVC systems within one coding framework and summarize different GFVC algorithms with their corresponding visual representations. Moreover, we review the GFVC standardization activities that are specified with supplemental enhancement information messages. Finally, we discuss fundamental challenges and broad applications on GFVC techniques and their standardization potentials, as well as envision their future trends. The project page can be found at https://github.com/Berlin0610/Awesome-Generative-Face-Video-Coding.

This paper considers self-triggered consensus control of unknown linear multi-agent systems (MASs). Self-triggering mechanisms (STMs) are widely used in MASs, thanks to their advantages in avoiding continuous monitoring and saving computing and communication resources. However, existing results require the knowledge of system matrices, which are difficult to obtain in real-world settings. To address this challenge, we present a data-driven approach to designing STMs for unknown MASs building upon the model-based solutions. Our approach leverages a system lifting method, which allows us to derive a data-driven representation for the MAS. Subsequently, a data-driven self-triggered consensus control (STC) scheme is designed, which combines a data-driven STM with a state feedback control law. We establish a data-based stability criterion for asymptotic consensus of the closed-loop MAS in terms of linear matrix inequalities, whose solution provides a matrix for the STM as well as a stabilizing controller gain. In the presence of external disturbances, a model-based STC scheme is put forth for $\mathcal{H}_{\infty}$-consensus of MASs, serving as a baseline for the data-driven STC. Numerical tests are conducted to validate the correctness of the data- and model-based STC approaches. Our data-driven approach demonstrates a superior trade-off between control performance and communication efficiency from finite, noisy data relative to the system identification-based one.