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The Einstein-Maxwell-dilaton model exhibits a first-order phase transition curve that terminates at a holographic critical endpoint, offering intriguing insights into the phase diagram of the dual system living on the boundary. However, the specific instability within the underlying spacetime that triggers the formation of the hairy black hole remains somewhat obscure. This raises the question of whether one of the hairy black hole phases represents a superconducting or scalarized state and how the two distinct phases merge into a indistinguishable one at the critical point. This work investigates the associated black hole phase transition and the underlying instabilities by exploring a specific Einstein-Maxwell-dilaton model. The approach aims to provide transparent insights into the black hole phase transitions in the bulk. By introducing a nonminimal coupling between a massive real scalar field and a Maxwell field in a five-dimensional anti-de Sitter spacetime, we identify two types of scalarization corresponding to tachyonic instabilities in the ultraviolet and infrared regions. These distinct instabilities lead to a first-order phase transition between two phases in the $\mu-T$ phase diagram. Furthermore, this first-order transition terminates at a critical point, beyond which the curve turns back, and the transition becomes a numerically elusive third-order one. Although one does not encounter a critical endpoint, the model still offers a consistent interpretation for the observed {\it cross-over} in the low baryon density region. We analyze the thermodynamic properties of the scalarized hairy black holes and discuss the implications of our findings., Comment: 28 pages and 10 figures

The Key-Value (KV) cache is a crucial component in serving transformer-based autoregressive large language models (LLMs), enabling faster inference by storing previously computed KV vectors. However, its memory consumption scales linearly with sequence length and batch size, posing a significant bottleneck in LLM deployment. Existing approaches to mitigate this issue include: (1) efficient attention variants integrated in upcycling stages, which requires extensive parameter tuning thus unsuitable for pre-trained LLMs; (2) KV cache compression at test time, primarily through token eviction policies, which often overlook inter-layer dependencies and can be task-specific. This paper introduces an orthogonal approach to KV cache compression. We propose a low-rank approximation of KV weight matrices, allowing for plug-in integration with existing transformer-based LLMs without model retraining. To effectively compress KV cache at the weight level, we adjust for layerwise sensitivity and introduce a progressive compression strategy, which is supported by our theoretical analysis on how compression errors accumulate in deep networks. Our method is designed to function without model tuning in upcycling stages or task-specific profiling in test stages. Extensive experiments with LLaMA models ranging from 8B to 70B parameters across various tasks show that our approach significantly reduces the GPU memory footprint while maintaining performance., Comment: 15 pages, 4 figures

We present a comprehensive analysis of the timing and spectral properties of NGC 7314, a Seyfert 1.9 galaxy, using X-ray observations from {\it XMM-Newton}, {\it NuSTAR}, and {\it RXTE}/PCA. The timing analysis reveals significant variability across different energy bands, with fractional variability (F$_{\rm var}$) values consistent with previous studies. The highly variable soft photons and comparatively less variable high energy photons imply different origins of these two types. The soft energy photons come from a hot corona near the center, while the high-energy photons are produced by inverse Compton scattering of these primary X-ray photons in a hot plasma away from the central region. The spectral analysis employs various models to characterize the emission components. The results indicate the presence of a soft energy bump, Fe K$\alpha$ line emission, and a prominent reflection component. The long-term {\it RXTE}/PCA data analysis reveals temporal variations in the photon index ($\Gamma$) and power-law flux, suggesting evolving emission properties over time. The signature of both broad and narrow Fe~K$\alpha$ emission line features suggested the broad, variable one coming from the accretion disk ($\sim10^{-5}$~pc), while the non-evolving narrow line can not be well constrained. The absorption feature could originate in a highly ionized region, possibly closer to the broad-line region (BLR). The evolution of the inner accretion properties indicates that NGC 7314 could be a potential changing-state active galactic nuclei.

We develop a potential theory for the Wess--Zumino--Witten (WZW) equation in the space of K\"ahler potentials which is parallel to the potential theory for the Hermitian--Yang--Mills equation. A concept called $\omega$-harmonicity on graphs is introduced which characterizes the WZW equation. We also show that, with respect to a Banach--Mazur type distance function, the distance between two solutions of the WZW equation is subharmonic. The harmonic map into the space of K\"ahler potentials, as a special case of the WZW equation, is also investigated. In particular, we show the solvability of the Dirichlet problem for the harmonic map, and the approximation/quantization by its finite dimensional counterparts., Comment: 20 pages

While Large Language Models (LLMs) demonstrate impressive generation abilities, they frequently struggle when it comes to specialized domains due to their limited domain-specific knowledge. Studies on domain-specific LLMs resort to expanding the vocabulary before fine-tuning on domain-specific corpus, aiming to decrease the sequence length and enhance efficiency during decoding, without thoroughly investigating the results of vocabulary expansion to LLMs over different domains. Our pilot study reveals that expansion with only a subset of the entire vocabulary may lead to superior performance. Guided by the discovery, this paper explores how to identify a vocabulary subset to achieve the optimal results. We introduce VEGAD, an adaptive method that automatically identifies valuable words from a given domain vocabulary. Our method has been validated through experiments on three Chinese datasets, demonstrating its effectiveness. Additionally, we have undertaken comprehensive analyses of the method. The selection of a optimal subset for expansion has shown to enhance performance on both domain-specific tasks and general tasks, showcasing the potential of VEGAD., Comment: Accepted by EMNLP 2024

We introduce a NeRF-based active mapping system that enables efficient and robust exploration of large-scale indoor environments. The key to our approach is the extraction of a generalized Voronoi graph (GVG) from the continually updated neural map, leading to the synergistic integration of scene geometry, appearance, topology, and uncertainty. Anchoring uncertain areas induced by the neural map to the vertices of GVG allows the exploration to undergo adaptive granularity along a safe path that traverses unknown areas efficiently. Harnessing a modern hybrid NeRF representation, the proposed system achieves competitive results in terms of reconstruction accuracy, coverage completeness, and exploration efficiency even when scaling up to large indoor environments. Extensive results at different scales validate the efficacy of the proposed system.

Spontaneous scalarization in Einstein-scalar-Gauss-Bonnet theory admits both vacuum-general relativity (GR) and scalarized hairy black holes as valid solutions, which provides a distinctive signature of new physics in strong gravity regime. In this paper, we shall examine the optical features of Gauss-Bonnet black holes with spontaneous scalarization, which is governed by the coupling parameter $\lambda$. We find that the photon sphere, critical impact parameter and innermost stable circular orbit all decrease as the increasing of $\lambda$. Using observable data from Event Horizon Telescope, we establish the upper limit for $\lambda$. Then we construct the optical appearances of the scalarized black holes illuminated by various thin accretions. Our findings reveal that the scalarized black holes consistently exhibit smaller shadow sizes and reduced brightness compared to Schwarzschild black holes. Notably, in the case of thin spherical accretion, the shadow of the scalarized black hole is smaller, but the surrounding bright ring is more pronounced. Our results highlight the observable features of the scalarized black holes, providing a distinguishable probe from their counterpart in GR in strong gravity regime., Comment: 18 pages, 10 figures, matching the version published in EPJC

Fock-state lattices (FSLs) are becoming an emerging research hotspot in quantum physics, not only because the FSLs provide a new perspective for studying atom-field interactions, but also because they build the connection between quantum optics and condensed matter physics. Owing to the multiple transition paths in the lattices, inherent quantum interference effect exists in these systems, and hence how to find new quantum coherent phenomena and exploit their applications becomes a significant and desired task in this field. In this work, we study the dark-state effect in the FSLs generated by the multimode Jaynes-Cummings (JC) models. By considering the FSLs in certain-excitation-number subspaces, we study the dark states with respect to the states associated with the atomic excited state using the arrowhead-matrix method. We find that there exist dark-state subspaces with the dimensions determined by the number of orthogonal dark states. When the dimension is larger than one, the forms of these dark-state bases are not unique. Further, we obtain the number and form of the orthogonal dark states in the two-, three-, and four-mode JC models. In addition, we find that for a general $N$-mode JC model, there are $C_{N+n-2}^{N-2}$ orthogonal dark states in the $n$-excitation subspace. We also build the relationship between the dark modes and dark states. Our work will pave the way for exploring quantum optical effects and quantum information processing based on the FSLs., Comment: 19 pages, 4 figures

Traceability plays a vital role in facilitating various software development activities by establishing the traces between different types of artifacts (e.g., issues and commits in software repositories). Among the explorations for automated traceability recovery, the IR (Information Retrieval)-based approaches leverage textual similarity to measure the likelihood of traces between artifacts and show advantages in many scenarios. However, the globalization of software development has introduced new challenges, such as the possible multilingualism on the same concept (e.g., "ShuXing" vs. "attribute") in the artifact texts, thus significantly hampering the performance of IR-based approaches. Existing research has shown that machine translation can help address the term inconsistency in bilingual projects. However, the translation can also bring in synonymous terms that are not consistent with those in the bilingual projects (e.g., another translation of "ShuXing" as "property"). Therefore, we propose an enhancement strategy called AVIATE that exploits translation variants from different translators by utilizing the word pairs that appear simultaneously across the translation variants from different kinds artifacts (a.k.a. consensual biterms). We use these biterms to first enrich the artifact texts, and then to enhance the calculated IR values for improving IR-based traceability recovery for bilingual software projects. The experiments on 17 bilingual projects (involving English and 4 other languages) demonstrate that AVIATE significantly outperformed the IR-based approach with machine translation (the state-of-the-art in this field) with an average increase of 16.67 in Average Precision (31.43%) and 8.38 (11.22%) in Mean Average Precision, indicating its effectiveness in addressing the challenges of multilingual traceability recovery.

Given an inverse semigroup $G_0$ of bounded type, we show, along with some other assumptions, that if the set of incompressible elements of $G_0$ is finite, then any finitely generated subgroup $G$ of the topological full group $\mathsf{F}(G_0)$ that is orbit equivalent to $G_0$ has subexponential growth with a bounded power in the exponent., Comment: arXiv admin note: text overlap with arXiv:2402.16238

In the rapidly evolving field of artificial intelligence, convolutional neural networks are essential for tackling complex challenges such as machine vision and medical diagnosis. Recently, to address the challenges in processing speed and power consumption of conventional digital convolution operations, many optical components have been suggested to replace the digital convolution layer in the neural network, accelerating various machine vision tasks. Nonetheless, the analog nature of the optical convolution kernel has not been fully explored. Here, we develop a spatial frequency domain training method to create arbitrarily shaped analog convolution kernels using an optical metasurface as the convolution layer, with its receptive field largely surpassing digital convolution kernels. By employing spatial multiplexing, the multiple parallel convolution kernels with both positive and negative weights are generated under the incoherent illumination condition. We experimentally demonstrate a 98.59% classification accuracy on the MNIST dataset, with simulations showing 92.63% and 68.67% accuracy on the Fashion-MNIST and CIFAR-10 datasets with additional digital layers. This work underscores the unique advantage of analog optical convolution, offering a promising avenue to accelerate machine vision tasks, especially in edge devices.

Federated Learning (FL) allows collaborative machine learning training without sharing private data. Numerous studies have shown that one significant factor affecting the performance of federated learning models is the heterogeneity of data across different clients, especially when the data is sampled from various domains. A recent paper introduces variance-aware dual-level prototype clustering and uses a novel $\alpha$-sparsity prototype loss, which increases intra-class similarity and reduces inter-class similarity. To ensure that the features converge within specific clusters, we introduce an improved algorithm, Federated Prototype Learning with Convergent Clusters, abbreviated as FedPLCC. To increase inter-class distances, we weight each prototype with the size of the cluster it represents. To reduce intra-class distances, considering that prototypes with larger distances might come from different domains, we select only a certain proportion of prototypes for the loss function calculation. Evaluations on the Digit-5, Office-10, and DomainNet datasets show that our method performs better than existing approaches., Comment: 8 pages, 6 figures

Low-Rank Adaptation (LoRA) has emerged as a popular technique for fine-tuning large language models (LLMs) to various domains due to its modular design and widespread availability on platforms like Huggingface. This modularity has sparked interest in combining multiple LoRAs to enhance LLM capabilities. However, existing methods for LoRA composition primarily focus on task-specific adaptations that require additional training, and current model merging techniques often fail to fully leverage LoRA's modular nature, leading to parameter interference and performance degradation. In this paper, we investigate the feasibility of disassembling and reassembling multiple LoRAs at a finer granularity, analogous to assembling LEGO blocks. We introduce the concept of Minimal Semantic Units (MSUs), where the parameters corresponding to each rank in LoRA function as independent units. These MSUs demonstrate permutation invariance and concatenation-summation equivalence properties, enabling flexible combinations to create new LoRAs. Building on these insights, we propose the LoRA-LEGO framework. This framework conducts rank-wise parameter clustering by grouping MSUs from different LoRAs into $k$ clusters. The centroid of each cluster serves as a representative MSU, enabling the assembly of a merged LoRA with an adjusted rank of $k$. Additionally, we apply a dual reweighting strategy to optimize the scale of the merged LoRA. Experiments across various benchmarks demonstrate that our method outperforms existing approaches in LoRA merging.

Multimodal contrastive pretraining, exemplified by models like CLIP, has been found to be vulnerable to backdoor attacks. While current backdoor defense methods primarily employ conventional data augmentation to create augmented samples aimed at feature alignment, these methods fail to capture the distinct features of backdoor samples, resulting in suboptimal defense performance. Observations reveal that adversarial examples and backdoor samples exhibit similarities in the feature space within the compromised models. Building on this insight, we propose Adversarial Backdoor Defense (ABD), a novel data augmentation strategy that aligns features with meticulously crafted adversarial examples. This approach effectively disrupts the backdoor association. Our experiments demonstrate that ABD provides robust defense against both traditional uni-modal and multimodal backdoor attacks targeting CLIP. Compared to the current state-of-the-art defense method, CleanCLIP, ABD reduces the attack success rate by 8.66% for BadNet, 10.52% for Blended, and 53.64% for BadCLIP, while maintaining a minimal average decrease of just 1.73% in clean accuracy.

We present experiments to reproduce the characteristics of core-collapse supernovae with different stellar masses and initial explosion energies in the laboratory. In the experiments, shocks are driven in 1.2 atm and 1.9 atm xenon gas by laser with energy from 1600J to 2800J on the SGIII prototype laser facility. The average shock velocities and shocked densities are obtained from experiments. Experimental results reveal that higher laser energy and lower Xe gas density led to higher shock velocity, and lower Xe gas initial density has a higher compression. Modeling of the experiments using the 2D radiation hydrodynamic codes Icefire shows excellent agreement with the experimental results and gives the temperature. These results will contribute to time-domain astrophysical systems, such as gravitational supernovae, where a strong radiative shock propagates outward from the center of the star after the core collapses., Comment: 7 pages, 2 figures, 1 supplement (8 pages, 3 figures, 2 tables), accepted for publication in Science Bulletin

Zero-shot action recognition, which addresses the issue of scalability and generalization in action recognition and allows the models to adapt to new and unseen actions dynamically, is an important research topic in computer vision communities. The key to zero-shot action recognition lies in aligning visual features with semantic vectors representing action categories. Most existing methods either directly project visual features onto the semantic space of text category or learn a shared embedding space between the two modalities. However, a direct projection cannot accurately align the two modalities, and learning robust and discriminative embedding space between visual and text representations is often difficult. To address these issues, we introduce Dual Visual-Text Alignment (DVTA) for skeleton-based zero-shot action recognition. The DVTA consists of two alignment modules-Direct Alignment (DA) and Augmented Alignment (AA)-along with a designed Semantic Description Enhancement (SDE). The DA module maps the skeleton features to the semantic space through a specially designed visual projector, followed by the SDE, which is based on cross-attention to enhance the connection between skeleton and text, thereby reducing the gap between modalities. The AA module further strengthens the learning of the embedding space by utilizing deep metric learning to learn the similarity between skeleton and text. Our approach achieves state-of-the-art performances on several popular zero-shot skeleton-based action recognition benchmarks.

The recently discovered bright transient black hole candidate Swift J1727.8-1613 is studied in a broad energy range ($0.5-79$ keV) using combined NICER and NuSTAR data on 29 August 2023. A promonient type-C Quasi-Periodic Oscillation (QPO) at $0.89 \pm 0.01$ Hz with its harmonic was observed in NICER data of $0.5-10$ keV. Interestingly, the harmonic becomes weaker in the lower energy bands ($0.5-1$ & $1-3$ keV). We also report the first detection of a soft time-lag of $0.014 \pm 0.001$ s at the QPO frequency between harder ($3-10$ kev) and softer ($0.5-3$ keV) band photons observed with the NICER/XTI instrument. This indicates that the inclination of the accretion disk in the binary system might be high. From the detailed spectral analysis with the relxill reflection model, we found the disk inclination angle of source to be $\sim 85^\circ$. We discuss how the accretion flow configuration inferred from spectral analysis can help us to understand the origin of QPOs and soft lag in this source., Comment: 10 pages, 4 figures, 1 table (in press ApJ)

This manuscript presents an image segmentation algorithm developed for the Cross-Organ and Cross-Scanner Adenocarcinoma Segmentation (COSAS 2024) challenge. We adopted an organ-stratified and scanner-stratified approach to train multiple Upernet-based segmentation models and subsequently ensembled the results. Despite the challenges posed by the varying tumor characteristics across different organs and the differing imaging conditions of various scanners, our method achieved a final test score of 0.7643 for Task 1 and 0.8354 for Task 2. These results demonstrate the adaptability and efficacy of our approach across diverse conditions. Our model's ability to generalize across various datasets underscores its potential for real-world applications.

In this paper, we derive two bound-preserving and mass-conserving schemes based on the fractional-step method and high-order compact (HOC) finite difference method for nonlinear convection-dominated diffusion equations. We split the one-dimensional equation into three stages, and employ appropriate temporal and spatial discrete schemes respectively. We show that our scheme is weakly monotonic and that the bound-preserving property can be achieved using the bound-preserving limiter under some mild step constraints. By employing the alternating direction implicit (ADI) method, we extend the scheme to two-dimensional problems, further reducing computational cost. We also provide various numerical experiments to verify our theoretical results., Comment: 36 pages, 5 tables, 69 figures

Despite researchers having extensively studied various ways to track body pose on-the-go, most prior work does not take into account wheelchair users, leading to poor tracking performance. Wheelchair users could greatly benefit from this pose information to prevent injuries, monitor their health, identify environmental accessibility barriers, and interact with gaming and VR experiences. In this work, we present WheelPoser, a real-time pose estimation system specifically designed for wheelchair users. Our system uses only four strategically placed IMUs on the user's body and wheelchair, making it far more practical than prior systems using cameras and dense IMU arrays. WheelPoser is able to track a wheelchair user's pose with a mean joint angle error of 14.30 degrees and a mean joint position error of 6.74 cm, more than three times better than similar systems using sparse IMUs. To train our system, we collect a novel WheelPoser-IMU dataset, consisting of 167 minutes of paired IMU sensor and motion capture data of people in wheelchairs, including wheelchair-specific motions such as propulsion and pressure relief. Finally, we explore the potential application space enabled by our system and discuss future opportunities. Open-source code, models, and dataset can be found here: https://github.com/axle-lab/WheelPoser., Comment: Accepted by ASSETS 2024

We investigate the first and second order cosmological perturbation equations in f(R) modified gravity theory and provide the equation of motion of second order scalar induced gravitational waves. We find that the effects of modified gravity not only change the form of the equation of motion of second order scalar induced gravitational waves but also contribute an additional anisotropic stress tensor, composed of first order scalar perturbations, to the source term of the gravitational waves. We calculate the energy density spectrum of second order scalar induced gravitational waves in the HS model. Utilizing current pulsar timing array observational data, we perform a rigorous Bayesian analysis of the parameter space of the HS model., Comment: Accepted for publication in JCAP on 2024 November 11

Many algorithms for aligning LLMs with human preferences assume that human preferences are binary and deterministic. However, human preferences can vary across individuals, and therefore should be represented distributionally. In this work, we introduce the distributional soft preference labels and improve Direct Preference Optimization (DPO) with a weighted geometric average of the LLM output likelihood in the loss function. This approach adjusts the scale of learning loss based on the soft labels such that the loss would approach zero when the responses are closer to equally preferred. This simple modification can be easily applied to any DPO-based methods and mitigate over-optimization and objective mismatch, which prior works suffer from. Our experiments simulate the soft preference labels with AI feedback from LLMs and demonstrate that geometric averaging consistently improves performance on standard benchmarks for alignment research. In particular, we observe more preferable responses than binary labels and significant improvements where modestly-confident labels are in the majority., Comment: Accepted at NeurIPS 2024

The quality of audio recordings in outdoor environments is often degraded by the presence of wind. Mitigating the impact of wind noise on the perceptual quality of single-channel speech remains a significant challenge due to its non-stationary characteristics. Prior work in noise suppression treats wind noise as a general background noise without explicit modeling of its characteristics. In this paper, we leverage ultrasound as an auxiliary modality to explicitly sense the airflow and characterize the wind noise. We propose a multi-modal deep-learning framework to fuse the ultrasonic Doppler features and speech signals for wind noise reduction. Our results show that DeWinder can significantly improve the noise reduction capabilities of state-of-the-art speech enhancement models.

The generation and manipulation of multipartite entanglement and EPR steering in macroscopic systems not only play a fundamental role in exploring the nature of quantum mechanics, but are also at the core of current developments of various nascent quantum technologies. Here we report a theoretical method using directional injection of quantum squeezing to produce nonreciprocal multipartite entanglement and EPR steering in a three-mode optomechanical system with closed-loop coupling. We show that by directionally applying a two-photon parametric driving field with a phase-matched squeezed vacuum reservoir to an optomechanical resonator, a squeezed optical mode can be introduced for one of its input directions, thereby yielding an asymmetric enhancement of optomechanical interaction and the time-reversal symmetry breaking of the system. Based on this feature, it is found that bipartite and tripartite entanglement and the associated EPR steering of the subsystems can only be generated when the coherent driving field input from the squeezing injection direction, namely, achieving nonreciprocity in such quantum correlations. More excitingly, it is also found that by properly adjusting the squeezing parameter, the overall asymmetry of EPR steering can be stepwise driven from no-way regime, one-way regime to two-way regime. These findings, holding promise for preparing rich types of entangled quantum resources with nonreciprocal correlations, may have potential applications in the area of quantum information processing such as quantum secure direct communication and one-way quantum computing., Comment: 15 pages, 3 figures

Information Extraction (IE) and Text Classification (CLS) serve as the fundamental pillars of NLU, with both disciplines relying on analyzing input sequences to categorize outputs into pre-established schemas. However, there is no existing encoder-based model that can unify IE and CLS tasks from this perspective. To fully explore the foundation shared within NLU tasks, we have proposed a Recursive Method with Explicit Schema Instructor for Universal NLU. Specifically, we firstly redefine the true universal information extraction (UIE) with a formal formulation that covers almost all extraction schemas, including quadruples and quintuples which remain unsolved for previous UIE models. Then, we expands the formulation to all CLS and multi-modal NLU tasks. Based on that, we introduce RexUniNLU, an universal NLU solution that employs explicit schema constraints for IE and CLS, which encompasses all IE and CLS tasks and prevent incorrect connections between schema and input sequence. To avoid interference between different schemas, we reset the position ids and attention mask matrices. Extensive experiments are conducted on IE, CLS in both English and Chinese, and multi-modality, revealing the effectiveness and superiority. Our codes are publicly released., Comment: arXiv admin note: substantial text overlap with arXiv:2304.14770

Organ transplantation serves as the primary therapeutic strategy for end-stage organ failures. However, allograft rejection is a common complication of organ transplantation. Histological assessment is essential for the timely detection and diagnosis of transplant rejection and remains the gold standard. Nevertheless, the traditional histochemical staining process is time-consuming, costly, and labor-intensive. Here, we present a panel of virtual staining neural networks for lung and heart transplant biopsies, which digitally convert autofluorescence microscopic images of label-free tissue sections into their brightfield histologically stained counterparts, bypassing the traditional histochemical staining process. Specifically, we virtually generated Hematoxylin and Eosin (H&E), Masson's Trichrome (MT), and Elastic Verhoeff-Van Gieson (EVG) stains for label-free transplant lung tissue, along with H&E and MT stains for label-free transplant heart tissue. Subsequent blind evaluations conducted by three board-certified pathologists have confirmed that the virtual staining networks consistently produce high-quality histology images with high color uniformity, closely resembling their well-stained histochemical counterparts across various tissue features. The use of virtually stained images for the evaluation of transplant biopsies achieved comparable diagnostic outcomes to those obtained via traditional histochemical staining, with a concordance rate of 82.4% for lung samples and 91.7% for heart samples. Moreover, virtual staining models create multiple stains from the same autofluorescence input, eliminating structural mismatches observed between adjacent sections stained in the traditional workflow, while also saving tissue, expert time, and staining costs., Comment: 21 Pages, 5 Figures

A force field as accurate as quantum mechanics (QM) and as fast as molecular mechanics (MM), with which one can simulate a biomolecular system efficiently enough and meaningfully enough to get quantitative insights, is among the most ardent dreams of biophysicists -- a dream, nevertheless, not to be fulfilled any time soon. Machine learning force fields (MLFFs) represent a meaningful endeavor towards this direction, where differentiable neural functions are parametrized to fit ab initio energies, and furthermore forces through automatic differentiation. We argue that, as of now, the utility of the MLFF models is no longer bottlenecked by accuracy but primarily by their speed (as well as stability and generalizability), as many recent variants, on limited chemical spaces, have long surpassed the chemical accuracy of $1$ kcal/mol -- the empirical threshold beyond which realistic chemical predictions are possible -- though still magnitudes slower than MM. Hoping to kindle explorations and designs of faster, albeit perhaps slightly less accurate MLFFs, in this review, we focus our attention on the design space (the speed-accuracy tradeoff) between MM and ML force fields. After a brief review of the building blocks of force fields of either kind, we discuss the desired properties and challenges now faced by the force field development community, survey the efforts to make MM force fields more accurate and ML force fields faster, envision what the next generation of MLFF might look like.

The evolving speech processing landscape is increasingly focused on complex scenarios like meetings or cocktail parties with multiple simultaneous speakers and far-field conditions. Existing methodologies for addressing these challenges fall into two categories: multi-channel and single-channel solutions. Single-channel approaches, notable for their generality and convenience, do not require specific information about microphone arrays. This paper presents a large-scale far-field overlapping speech dataset, crafted to advance research in speech separation, recognition, and speaker diarization. This dataset is a critical resource for decoding ``Who said What and When'' in multi-talker, reverberant environments, a daunting challenge in the field. Additionally, we introduce a pipeline system encompassing speech separation, recognition, and diarization as a foundational benchmark. Evaluations on the WHAMR! dataset validate the broad applicability of the proposed data., Comment: InterSpeech 2024

In this work, we investigate the generalized bathtub model, a nonlocal transport equation for describing network trip flows served by privately operated vehicles inside a road network. First, we establish the well-posedness of the mathematical model for both classical and weak solutions. Then we consider an inverse source problem of the model with model parameters embodying particular traffic situations. We establish a conditional Lipschitz stability of the inverse problem under suitable a priori regularity assumption on the problem data, using a Volterra integral formulation of the problem. Inspired by the analysis, we develop an easy-to-implement numerical method for reconstructing the flow rates, and provide the error analysis of the method. Further we present several numerical experiments to complement the theoretical analysis., Comment: 25 pages, 3 figures

Tightly focused optical fields are essential in nano-optics, but their applications have been limited by the challenges of accurate yet efficient characterization. In this article, we develop an in situ method for reconstructing the fully vectorial information of tightly focused fields in three-dimensional (3D) space, while simultaneously retrieving the pupil functions. Our approach encodes these fields using phase-modulated focusing and polarization-split detection, followed by decoding through an algorithm based on least-sampling matrix-based Fourier transform and analytically derived gradient. We further employ a focus scanning strategy. When combined with our decoding algorithm, this strategy mitigates the imperfections in the detection path. This approach requires only 10 frames of 2D measurements to realize approximate 90% accuracy in tomography and pupil function retrieval within 10s. Thus, it serves as a robust and convenient tool for the precise characterization and optimization of light at the nanoscale. We apply this technique to fully vectorial field manipulation, adaptive-optics-assisted nanoscopy, and addressing mixed-state problems., Comment: 10 pages, 5 figures

Space-ground integrated networks hold great promise for providing global connectivity, particularly in remote areas where large amounts of valuable data are generated by Internet of Things (IoT) devices, but lacking terrestrial communication infrastructure. The massive data is conventionally transferred to the cloud server for centralized artificial intelligence (AI) models training, raising huge communication overhead and privacy concerns. To address this, we propose a hierarchical learning and computing framework, which leverages the lowlatency characteristic of low-earth-orbit (LEO) satellites and the global coverage of geostationary-earth-orbit (GEO) satellites, to provide global aggregation services for locally trained models on ground IoT devices. Due to the time-varying nature of satellite network topology and the energy constraints of LEO satellites, efficiently aggregating the received local models from ground devices on LEO satellites is highly challenging. By leveraging the predictability of inter-satellite connectivity, modeling the space network as a directed graph, we formulate a network energy minimization problem for model aggregation, which turns out to be a Directed Steiner Tree (DST) problem. We propose a topologyaware energy-efficient routing (TAEER) algorithm to solve the DST problem by finding a minimum spanning arborescence on a substitute directed graph. Extensive simulations under realworld space-ground integrated network settings demonstrate that the proposed TAEER algorithm significantly reduces energy consumption and outperforms benchmarks., Comment: 14 pages, 10 figures

Gravitational waves induced by primordial perturbations serve as crucial probes for studying the early universe, providing a significant window into potential new physics during cosmic evolution. Due to the potentially large amplitudes of primordial perturbations on small scales, the contributions of high-order cosmological perturbations are highly significant. We propose a vertex approach applicable to the study of induced gravitational waves for arbitrary higher orders. Using the vertex approach and tree diagrams, we can directly derive the explicit expressions of higher-order induced gravitational waves without involving the complex and lengthy calculations of higher-order cosmological perturbations. Correlations between different tree diagrams correspond to the loop diagrams of two-point correlation functions of induced gravitational waves. Our investigation reveals that one-particle reducible diagrams impact tensor-scalar induced gravitational waves while leaving scalar induced gravitational waves unaffected.

Chiral quantum state generation is an interesting topic in quantum physics and quantum information science. Here we propose an approach for generating chiral cat states in a spinning resonator supporting both the clockwise (CW) and counterclockwise (CCW) traveling modes, which are dispersively coupled to a two-level atom. The physical mechanism for the chiral-cat-state generation is based on the Sagnac-Fizeau effect. Concretely, when the resonator is rotating, the CW and CCW modes have different frequency detuning with respect to the atomic transition frequency and hence the atomic-state-dependent rotating angular velocities for the CW and CCW modes in phase space are different. This mode-dependent evolution leads to a chirality mechanism in the state generation. Based on the mode-dependent conditional rotation evolution and atomic projection measurement at proper time, we achieve the separate generation of cat states in the CW mode and coherent states in the CCW mode. We also investigate quantum coherence properties of the generated states by examining their Wigner functions. In addition, the influence of the system dissipations on the state generation in the open-system case is investigated. Our work will provide some insights into the development of chiral optical devices and nonreciprocal photonics., Comment: 12 pages, 8 figures

Off-Policy Evaluation (OPE) is employed to assess the potential impact of a hypothetical policy using logged contextual bandit feedback, which is crucial in areas such as personalized medicine and recommender systems, where online interactions are associated with significant risks and costs. Traditionally, OPE methods rely on the Stable Unit Treatment Value Assumption (SUTVA), which assumes that the reward for any given individual is unaffected by the actions of others. However, this assumption often fails in real-world scenarios due to the presence of interference, where an individual's reward is affected not just by their own actions but also by the actions of their peers. This realization reveals significant limitations of existing OPE methods in real-world applications. To address this limitation, we propose IntIPW, an IPW-style estimator that extends the Inverse Probability Weighting (IPW) framework by integrating marginalized importance weights to account for both individual actions and the influence of adjacent entities. Extensive experiments are conducted on both synthetic and real-world data to demonstrate the effectiveness of the proposed IntIPW method.

Research on Multi-modal Large Language Models (MLLMs) towards the multi-image cross-modal instruction has received increasing attention and made significant progress, particularly in scenarios involving closely resembling images (e.g., change captioning). Existing MLLMs typically follow a two-step process in their pipelines: first, extracting visual tokens independently for each input image, and then aligning these visual tokens from different images with the Large Language Model (LLM) in its textual feature space. However, the independent extraction of visual tokens for each image may result in different semantics being prioritized for different images in the first step, leading to a lack of preservation of linking information among images for subsequent LLM analysis. This issue becomes more serious in scenarios where significant variations exist among the images (e.g., visual storytelling). To address this challenge, we introduce Semantic Alignment for Multi-modal large language models (SAM). By involving the bidirectional semantic guidance between different images in the visual-token extraction process, SAM aims to enhance the preservation of linking information for coherent analysis and align the semantics of different images before feeding them into LLM. As the test bed, we propose a large-scale dataset named MmLINK consisting of 69K samples. Different from most existing datasets for MLLMs fine-tuning, our MmLINK dataset comprises multi-modal instructions with significantly diverse images. Extensive experiments on the group captioning task and the storytelling task prove the effectiveness of our SAM model, surpassing the state-of-the-art methods by a large margin (+37% for group captioning and +22% for storytelling on CIDEr score). Project page: https://mccartney01.github.io/SAM., Comment: Accepted by MM 2024

Despite significant progress in static protein structure collection and prediction, the dynamic behavior of proteins, one of their most vital characteristics, has been largely overlooked in prior research. This oversight can be attributed to the limited availability, diversity, and heterogeneity of dynamic protein datasets. To address this gap, we propose to enhance existing prestigious static 3D protein structural databases, such as the Protein Data Bank (PDB), by integrating dynamic data and additional physical properties. Specifically, we introduce a large-scale dataset, Dynamic PDB, encompassing approximately 12.6K proteins, each subjected to all-atom molecular dynamics (MD) simulations lasting 1 microsecond to capture conformational changes. Furthermore, we provide a comprehensive suite of physical properties, including atomic velocities and forces, potential and kinetic energies of proteins, and the temperature of the simulation environment, recorded at 1 picosecond intervals throughout the simulations. For benchmarking purposes, we evaluate state-of-the-art methods on the proposed dataset for the task of trajectory prediction. To demonstrate the value of integrating richer physical properties in the study of protein dynamics and related model design, we base our approach on the SE(3) diffusion model and incorporate these physical properties into the trajectory prediction process. Preliminary results indicate that this straightforward extension of the SE(3) model yields improved accuracy, as measured by MAE and RMSD, when the proposed physical properties are taken into consideration. https://fudan-generative-vision.github.io/dynamicPDB/ .

The global positioning system (GPS) has become an indispensable navigation method for field operations with unmanned surface vehicles (USVs) in marine environments. However, GPS may not always be available outdoors because it is vulnerable to natural interference and malicious jamming attacks. Thus, an alternative navigation system is required when the use of GPS is restricted or prohibited. To this end, we present a novel method that utilizes an Unmanned Aerial Vehicle (UAV) to assist in localizing USVs in GNSS-restricted marine environments. In our approach, the UAV flies along the shoreline at a consistent altitude, continuously tracking and detecting the USV using a deep learning-based approach on camera images. Subsequently, triangulation techniques are applied to estimate the USV's position relative to the UAV, utilizing geometric information and datalink range from the UAV. We propose adjusting the UAV's camera angle based on the pixel error between the USV and the image center throughout the localization process to enhance accuracy. Additionally, visual measurements are integrated into an Extended Kalman Filter (EKF) for robust state estimation. To validate our proposed method, we utilize a USV equipped with onboard sensors and a UAV equipped with a camera. A heterogeneous robotic interface is established to facilitate communication between the USV and UAV. We demonstrate the efficacy of our approach through a series of experiments conducted during the ``Muhammad Bin Zayed International Robotic Challenge (MBZIRC-2024)'' in real marine environments, incorporating noisy measurements and ocean disturbances. The successful outcomes indicate the potential of our method to complement GPS for USV navigation.

Commentary provides readers with a deep understanding of events by presenting diverse arguments and evidence. However, creating commentary is a time-consuming task, even for skilled commentators. Large language models (LLMs) have simplified the process of natural language generation, but their direct application in commentary creation still faces challenges due to unique task requirements. These requirements can be categorized into two levels: 1) fundamental requirements, which include creating well-structured and logically consistent narratives, and 2) advanced requirements, which involve generating quality arguments and providing convincing evidence. In this paper, we introduce Xinyu, an efficient LLM-based system designed to assist commentators in generating Chinese commentaries. To meet the fundamental requirements, we deconstruct the generation process into sequential steps, proposing targeted strategies and supervised fine-tuning (SFT) for each step. To address the advanced requirements, we present an argument ranking model for arguments and establish a comprehensive evidence database that includes up-to-date events and classic books, thereby strengthening the substantiation of the evidence with retrieval augmented generation (RAG) technology. To evaluate the generated commentaries more fairly, corresponding to the two-level requirements, we introduce a comprehensive evaluation metric that considers five distinct perspectives in commentary generation. Our experiments confirm the effectiveness of our proposed system. We also observe a significant increase in the efficiency of commentators in real-world scenarios, with the average time spent on creating a commentary dropping from 4 hours to 20 minutes. Importantly, such an increase in efficiency does not compromise the quality of the commentaries.

In this work, we propose a training-free, trajectory-based controllable T2I approach, termed TraDiffusion. This novel method allows users to effortlessly guide image generation via mouse trajectories. To achieve precise control, we design a distance awareness energy function to effectively guide latent variables, ensuring that the focus of generation is within the areas defined by the trajectory. The energy function encompasses a control function to draw the generation closer to the specified trajectory and a movement function to diminish activity in areas distant from the trajectory. Through extensive experiments and qualitative assessments on the COCO dataset, the results reveal that TraDiffusion facilitates simpler, more natural image control. Moreover, it showcases the ability to manipulate salient regions, attributes, and relationships within the generated images, alongside visual input based on arbitrary or enhanced trajectories., Comment: The code: https://github.com/och-mac/TraDiffusion

Heterophilic Graph Neural Networks (HGNNs) have shown promising results for semi-supervised learning tasks on graphs. Notably, most real-world heterophilic graphs are composed of a mixture of nodes with different neighbor patterns, exhibiting local node-level homophilic and heterophilic structures. However, existing works are only devoted to designing better HGNN backbones or architectures for node classification tasks on heterophilic and homophilic graph benchmarks simultaneously, and their analyses of HGNN performance with respect to nodes are only based on the determined data distribution without exploring the effect caused by this structural difference between training and testing nodes. How to learn invariant node representations on heterophilic graphs to handle this structure difference or distribution shifts remains unexplored. In this paper, we first discuss the limitations of previous graph-based invariant learning methods from the perspective of data augmentation. Then, we propose \textbf{HEI}, a framework capable of generating invariant node representations through incorporating heterophily information to infer latent environments without augmentation, which are then used for invariant prediction, under heterophilic graph structure distribution shifts. We theoretically show that our proposed method can achieve guaranteed performance under heterophilic graph structure distribution shifts. Extensive experiments on various benchmarks and backbones can also demonstrate the effectiveness of our method compared with existing state-of-the-art baselines., Comment: 15 pages, 7 figures

Data-driven scientific discovery requires the iterative integration of scientific domain knowledge, statistical expertise, and an understanding of data semantics to make nuanced analytical decisions, e.g., about which variables, transformations, and statistical models to consider. LM-based agents equipped with planning, memory, and code execution capabilities have the potential to support data-driven science. However, evaluating agents on such open-ended tasks is challenging due to multiple valid approaches, partially correct steps, and different ways to express the same decisions. To address these challenges, we present BLADE, a benchmark to automatically evaluate agents' multifaceted approaches to open-ended research questions. BLADE consists of 12 datasets and research questions drawn from existing scientific literature, with ground truth collected from independent analyses by expert data scientists and researchers. To automatically evaluate agent responses, we developed corresponding computational methods to match different representations of analyses to this ground truth. Though language models possess considerable world knowledge, our evaluation shows that they are often limited to basic analyses. However, agents capable of interacting with the underlying data demonstrate improved, but still non-optimal, diversity in their analytical decision making. Our work enables the evaluation of agents for data-driven science and provides researchers deeper insights into agents' analysis approaches.

The pre-training cost of large language models (LLMs) is prohibitive. One cutting-edge approach to reduce the cost is zero-shot weight transfer, also known as model growth for some cases, which magically transfers the weights trained in a small model to a large model. However, there are still some theoretical mysteries behind the weight transfer. In this paper, inspired by prior applications of mean field theory to neural network dynamics, we introduce a mean field ansatz to provide a theoretical explanation for weight transfer. Specifically, we propose the row-column (RC) ansatz under the mean field point of view, which describes the measure structure of the weights in the neural network (NN) and admits a close measure dynamic. Thus, the weights of different sizes NN admit a common distribution under proper assumptions, and weight transfer methods can be viewed as sampling methods. We empirically validate the RC ansatz by exploring simple MLP examples and LLMs such as GPT-3 and Llama-3.1. We show the mean-field point of view is adequate under suitable assumptions which can provide theoretical support for zero-shot weight transfer., Comment: 40 pages, 6 Figures, 1 table

In the binary black hole coalescence, the gravitational wave emitted at the ringdown stage can be well described within the black hole perturbation theory, where the quasinormal modes (QNMs) become the important ingredient in modeling the pattern wave form. In general ralativity (GR), the QNMs can be obtained from solving the Regge-Wheeler equation in static black hole, while in Horndeski gravity, the metric perturbation equation can be simplified into a modified Regge-Wheeler equation from the perturbed action. In this paper, we calculate the QNMs frequencies of the gravitational odd-parity perturbation of a specific hairy black hole in Horndeski gravity with the use of the matrix method and pseudo spectral method. Our results indicate that such a Horndeski hairy black hole is stable under the odd perturbation, which is also verified by the time evolution of the perturbation. In particular, we find that for a certain range of the Horndeski hair, the $\ell>2$ modes become the long-lived mode instead of $\ell=2$ mode in GR. Then, we use the ringdown QNMs to preliminarily investigate the signal-to-noise-ratio (SNR) rescaled measurement error of the Horndeski hair. We obtained significant effects of the angular momentum and overtone on the error bound of the hairy parameter. We hope that our findings could inspire more theoretical and phenomenal work on the test of no-hair theorem of black hole from gravitational wave physics., Comment: 16 pages; v2: corrected typos and added references