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Large-scale quantum computation requires to be performed in the fault-tolerant manner. One crucial issue of fault-tolerant quantum computing (FTQC) is reducing the overhead of implementing logical gates. Recently proposed correlated decoding and ``algorithmic fault tolerance" achieve fast logical gates that enables universal quantum computation. However, for circuits involving mid-circuit measurements and feedback, this approach is incompatible with window-based decoding, which is a natural requirement for handling large-scale circuits. In this letter, we propose an alternative architecture that employs delayed fixup circuits, integrating window-based correlated decoding with fast transversal gates. This design significantly reduce both the frequency and duration of correlated decoding, while maintaining support for constant-time logical gates and universality across a broad class of quantum codes. More importantly, by spatial parallelism of windows, this architecture well adapts to time-optimal FTQC, making it particularly useful for large-scale computation. Using Shor's algorithm as an example, we explore the application of our architecture and reveals the promising potential of using fast transversal gates to perform large-scale quantum computing tasks with acceptable overhead on physical systems like ion traps., Comment: 11 pages, 9 figures

The advancements of language language models (LLMs) have piqued growing interest in developing LLM-based language agents to automate scientific discovery end-to-end, which has sparked both excitement and skepticism about their true capabilities. In this work, we call for rigorous assessment of agents on individual tasks in a scientific workflow before making bold claims on end-to-end automation. To ensure the scientific authenticity and real-world relevance of our benchmark, we extract 102 tasks from 44 peer-reviewed publications in four disciplines and engage nine subject matter experts to validate them. We unify the target output for every task to a self-contained Python program file and employ an array of evaluation metrics to examine the generated programs, execution results, and costs. Each task goes through multiple rounds of manual validation by annotators and subject matter experts to ensure its annotation quality and scientific plausibility. We also propose two effective strategies to mitigate data contamination concerns. Using our benchmark, we evaluate five open-weight and proprietary LLMs, each with three frameworks: direct prompting, OpenHands CodeAct, and self-debug. Given three attempts for each task, the best-performing agent can only solve 32.4% of the tasks independently and 34.3% with expert-provided knowledge. In addition, we evaluate OpenAI o1 with direct prompting and self-debug, which demonstrates the effectiveness of increasing inference-time compute. Still, our results underscore the limitations of current language agents in generating code for data-driven discovery, let alone end-to-end automation for scientific research., Comment: 57 pages

Axion-like particles (ALPs) and dark photons (DPs) are viable dark matter particle candidates. We have searched for possible ALP/DP signals in the PandaX-4T liquid xenon detector using 94.8 days of data. A binned likelihood fit is constructed to search for possible mono-energetic peaks induced by the absorption processes between ALPs/DPs and atomic electrons of xenon. A detailed temporal model of decays associated with xenon isotopes is introduced to constrain the number of background events. No signal excess over background expectations is observed, and we have established the most stringent exclusion limits for most ALP/DP masses ranging from 150 keV/$c^2$ to 1 MeV/$c^2$.

When interacting with an environment, the entanglement within quantum many-body systems is rapidly transferred to the entanglement between the system and the bath. For systems with a large local Hilbert space dimension, this leads to a first-order entanglement transition for the reduced density matrix of the system. On the other hand, recent studies have introduced a new paradigm for classifying density matrices, with particular focus on scenarios where a strongly symmetric density matrix undergoes spontaneous symmetry breaking to a weak symmetry phase. This is typically characterized by a finite R\'enyi-2 correlator or a finite Wightman correlator. In this work, we study the entanglement transition from the perspective of strong-to-weak symmetry breaking, using solvable complex Brownian SYK models. We perform analytical calculations for both the early-time and late-time saddles. The results show that while the R\'enyi-2 correlator indicates a transition from symmetric to symmetry-broken phase, the Wightman correlator becomes finite even in the early-time saddle due to the single-replica limit, demonstrating that the first-order transition occurs between a near-symmetric phase and a deeply symmetry-broken phase in the sense of Wightman correlator. Our results provide a novel viewpoint on the entanglement transition under symmetry constraints and can be readily generalized to systems with repeated measurements., Comment: 7 pages, 1 figure

In streaming media services, video transcoding is a common practice to alleviate bandwidth demands. Unfortunately, traditional methods employing a uniform rate factor (RF) across all videos often result in significant inefficiencies. Content-adaptive encoding (CAE) techniques address this by dynamically adjusting encoding parameters based on video content characteristics. However, existing CAE methods are often tightly coupled with specific encoding strategies, leading to inflexibility. In this paper, we propose a model that predicts both RF-quality and RF-bitrate curves, which can be utilized to derive a comprehensive bitrate-quality curve. This approach facilitates flexible adjustments to the encoding strategy without necessitating model retraining. The model leverages codec features, content features, and anchor features to predict the bitrate-quality curve accurately. Additionally, we introduce an anchor suspension method to enhance prediction accuracy. Experiments confirm that the actual quality metric (VMAF) of the compressed video stays within 1 of the target, achieving an accuracy of 99.14%. By incorporating our quality improvement strategy with the rate-quality curve prediction model, we conducted online A/B tests, obtaining both +0.107% improvements in video views and video completions and +0.064% app duration time. Our model has been deployed on the Xiaohongshu App., Comment: Accepted by IEEE VCIP 2024 (Oral)

The advent of ultra-massive multiple-input-multiple output systems holds great promise for next-generation communications, yet their channels exhibit hybrid far- and near- field beam-squint (HFBS) effect. In this paper, we not only overcome but also harness the HFBS effect to propose an integrated location sensing and communication (ILSC) framework. During the uplink training stage, user terminals (UTs) transmit reference signals for simultaneous channel estimation and location sensing. This stage leverages an elaborately designed hybrid-field projection matrix to overcome the HFBS effect and estimate the channel in compressive manner. Subsequently, the scatterers' locations can be sensed from the spherical wavefront based on the channel estimation results. By treating the sensed scatterers as virtual anchors, we employ a weighted least-squares approach to derive UT' s location. Moreover, we propose an iterative refinement mechanism, which utilizes the accurately estimated time difference of arrival of multipath components to enhance location sensing precision. In the following downlink data transmission stage, we leverage the acquired location information to further optimize the hybrid beamformer, which combines the beam broadening and focusing to mitigate the spectral efficiency degradation resulted from the HFBS effect. Extensive simulation experiments demonstrate that the proposed ILSC scheme has superior location sensing and communication performance than conventional methods., Comment: This paper has been accepted by IEEE JSAC

Despite significant advancements in report generation methods, a critical limitation remains: the lack of interpretability in the generated text. This paper introduces an innovative approach to enhance the explainability of text generated by report generation models. Our method employs cyclic text manipulation and visual comparison to identify and elucidate the features in the original content that influence the generated text. By manipulating the generated reports and producing corresponding images, we create a comparative framework that highlights key attributes and their impact on the text generation process. This approach not only identifies the image features aligned to the generated text but also improves transparency but also provides deeper insights into the decision-making mechanisms of the report generation models. Our findings demonstrate the potential of this method to significantly enhance the interpretability and transparency of AI-generated reports.

Current leading Text-To-Audio (TTA) generation models suffer from degraded performance on zero-shot and few-shot settings. It is often challenging to generate high-quality audio for audio events that are unseen or uncommon in the training set. Inspired by the success of Retrieval-Augmented Generation (RAG) in Large Language Model (LLM)-based knowledge-intensive tasks, we extend the TTA process with additional conditioning contexts. We propose Audiobox TTA-RAG, a novel retrieval-augmented TTA approach based on Audiobox, a conditional flow-matching audio generation model. Unlike the vanilla Audiobox TTA solution which generates audio conditioned on text, we augmented the conditioning input with retrieved audio samples that provide additional acoustic information to generate the target audio. Our retrieval method does not require the external database to have labeled audio, offering more practical use cases. To evaluate our proposed method, we curated test sets in zero-shot and few-shot settings. Our empirical results show that the proposed model can effectively leverage the retrieved audio samples and significantly improve zero-shot and few-shot TTA performance, with large margins on multiple evaluation metrics, while maintaining the ability to generate semantically aligned audio for the in-domain setting. In addition, we investigate the effect of different retrieval methods and data sources.

This paper presents an innovative pseudo-haptic model for weight simulation in virtual reality (VR) environments. By integrating visual feedback with voluntary exerted force through a passive haptic glove, the model creates haptic illusions of weight perception. Two VR cube games were developed to evaluate the model's effectiveness. The first game assesses participants' ability to discriminate relative weights, while the second evaluates their capability to estimate absolute weights. Twelve participants, aged 18 to 59, tested the games. Results suggest that the pseudo-haptic model is effective for relative weight discrimination tasks and holds potential for various VR applications. Further research with a larger participant group and more complex scenarios is recommended to refine and validate the model., Comment: Part of proceedings of 6th International Conference AsiaHaptics 2024

The development of large language models (LLMs) has expanded to multi-modal systems capable of processing text, images, and speech within a unified framework. Training these models demands significantly larger datasets and computational resources compared to text-only LLMs. To address the scaling challenges, we introduce Mixture-of-Transformers (MoT), a sparse multi-modal transformer architecture that significantly reduces pretraining computational costs. MoT decouples non-embedding parameters of the model by modality -- including feed-forward networks, attention matrices, and layer normalization -- enabling modality-specific processing with global self-attention over the full input sequence. We evaluate MoT across multiple settings and model scales. In the Chameleon 7B setting (autoregressive text-and-image generation), MoT matches the dense baseline's performance using only 55.8\% of the FLOPs. When extended to include speech, MoT reaches speech performance comparable to the dense baseline with only 37.2\% of the FLOPs. In the Transfusion setting, where text and image are trained with different objectives, a 7B MoT model matches the image modality performance of the dense baseline with one third of the FLOPs, and a 760M MoT model outperforms a 1.4B dense baseline across key image generation metrics. System profiling further highlights MoT's practical benefits, achieving dense baseline image quality in 47.2\% of the wall-clock time and text quality in 75.6\% of the wall-clock time (measured on AWS p4de.24xlarge instances with NVIDIA A100 GPUs).

Low mass axion-like particles could be produced in abundance within the cores of hot, compact magnetic white dwarf (MWD) stars from electron bremsstrahlung and converted to detectable X-rays in the strong magnetic fields surrounding these systems. In this work, we constrain the existence of such axions from two dedicated Chandra X-ray observations of $\sim$40 ks each in the energy range $\sim$1 - 10 keV towards the magnetic white dwarfs (MWDs) WD 1859+148 and PG 0945+246. We find no evidence for axions, which constrains the axion-electron times axion-photon coupling to $|g_{a\gamma \gamma} g_{aee}| \lesssim 1.54 \times 10^{-25}$ ($3.54 \times 10^{-25}$) GeV$^{-1}$ for PG 0945+246 (WD 1859+148) at 95% confidence for axion masses $m_a \lesssim 10^{-6}$ eV. We find an excess of low-energy X-rays between 1 - 3 keV for WD 1859+148 but determine that the spectral morphology is too soft to arise from axions; instead, the soft X-rays may arise from non-thermal emission in the MWD magnetosphere., Comment: 10 pages, 14 figures, video abstract at https://youtu.be/yfj8JoC1jKQ

With the development of artificial intelligence, its contribution to science is evolving from simulating a complex problem to automating entire research processes and producing novel discoveries. Achieving this advancement requires both specialized general models grounded in real-world scientific data and iterative, exploratory frameworks that mirror human scientific methodologies. In this paper, we present PROTEUS, a fully automated system for scientific discovery from raw proteomics data. PROTEUS uses large language models (LLMs) to perform hierarchical planning, execute specialized bioinformatics tools, and iteratively refine analysis workflows to generate high-quality scientific hypotheses. The system takes proteomics datasets as input and produces a comprehensive set of research objectives, analysis results, and novel biological hypotheses without human intervention. We evaluated PROTEUS on 12 proteomics datasets collected from various biological samples (e.g. immune cells, tumors) and different sample types (single-cell and bulk), generating 191 scientific hypotheses. These were assessed using both automatic LLM-based scoring on 5 metrics and detailed reviews from human experts. Results demonstrate that PROTEUS consistently produces reliable, logically coherent results that align well with existing literature while also proposing novel, evaluable hypotheses. The system's flexible architecture facilitates seamless integration of diverse analysis tools and adaptation to different proteomics data types. By automating complex proteomics analysis workflows and hypothesis generation, PROTEUS has the potential to considerably accelerate the pace of scientific discovery in proteomics research, enabling researchers to efficiently explore large-scale datasets and uncover biological insights.

Electromagnetic field simulation is central to designing, optimizing, and validating photonic devices and circuits. However, costly computation associated with numerical simulation poses a significant bottleneck, hindering scalability and turnaround time in the photonic circuit design process. Neural operators offer a promising alternative, but existing SOTA approaches, NeurOLight, struggle with predicting high-fidelity fields for real-world complicated photonic devices, with the best reported 0.38 normalized mean absolute error in NeurOLight. The inter-plays of highly complex light-matter interaction, e.g., scattering and resonance, sensitivity to local structure details, non-uniform learning complexity for full-domain simulation, and rich frequency information, contribute to the failure of existing neural PDE solvers. In this work, we boost the prediction fidelity to an unprecedented level for simulating complex photonic devices with a novel operator design driven by the above challenges. We propose a novel cross-axis factorized PACE operator with a strong long-distance modeling capacity to connect the full-domain complex field pattern with local device structures. Inspired by human learning, we further divide and conquer the simulation task for extremely hard cases into two progressively easy tasks, with a first-stage model learning an initial solution refined by a second model. On various complicated photonic device benchmarks, we demonstrate one sole PACE model is capable of achieving 73% lower error with 50% fewer parameters compared with various recent ML for PDE solvers. The two-stage setup further advances high-fidelity simulation for even more intricate cases. In terms of runtime, PACE demonstrates 154-577x and 11.8-12x simulation speedup over numerical solver using scipy or highly-optimized pardiso solver, respectively. We open sourced the code and dataset., Comment: Accepeted by Neurips 2024, 21 pages

Recent advancements in Generative AI offer promising capabilities for spatial analysis. Despite their potential, the integration of generative AI with established GIS platforms remains underexplored. In this study, we propose a framework for integrating LLMs directly into existing GIS platforms, using QGIS as an example. Our approach leverages the reasoning and programming capabilities of LLMs to autonomously generate spatial analysis workflows and code through an informed agent that has comprehensive documentation of key GIS tools and parameters. The implementation of this framework resulted in the development of a "GIS Copilot" that allows GIS users to interact with QGIS using natural language commands for spatial analysis. The GIS Copilot was evaluated based on three complexity levels: basic tasks that require one GIS tool and typically involve one data layer to perform simple operations; intermediate tasks involving multi-step processes with multiple tools, guided by user instructions; and advanced tasks which involve multi-step processes that require multiple tools but not guided by user instructions, necessitating the agent to independently decide on and executes the necessary steps. The evaluation reveals that the GIS Copilot demonstrates strong potential in automating foundational GIS operations, with a high success rate in tool selection and code generation for basic and intermediate tasks, while challenges remain in achieving full autonomy for more complex tasks. This study contributes to the emerging vision of Autonomous GIS, providing a pathway for non-experts to engage with geospatial analysis with minimal prior expertise. While full autonomy is yet to be achieved, the GIS Copilot demonstrates significant potential for simplifying GIS workflows and enhancing decision-making processes.

Large language models (LLMs) pre-trained on massive corpora have demonstrated impressive few-shot learning capability on many NLP tasks. Recasting an NLP task into a text-to-text generation task is a common practice so that generative LLMs can be prompted to resolve it. However, performing document-level relation extraction (DocRE) tasks with generative LLM models is still challenging due to the structured output format of DocRE, which complicates the conversion to plain text. Limited information available in few-shot samples and prompt instructions induce further difficulties and challenges in relation extraction for mentioned entities in a document. In this paper, we represent the structured output as a graph-style triplet rather than natural language expressions and leverage generative LLMs for the DocRE task. Our approach, the Graph-DPEP framework is grounded in the reasoning behind triplet explanation thoughts presented in natural language. In this framework, we first introduce a ``decomposed-plug" method for performing the generation from LLMs over prompts with type-space decomposition to alleviate the burden of distinguishing all relation types. Second, we employ a verifier for calibrating the generation and identifying overlooked query entity pairs. Third, we develop "ensemble-play", reapplying generation on the entire type list by leveraging the reasoning thoughts embedded in a sub-graph associated with the missing query pair to address the missingness issue. Through extensive comparisons with existing prompt techniques and alternative Language Models (LLMs), our framework demonstrates superior performance on publicly available benchmarks in experiments.

Continual learning methods based on pre-trained models (PTM) have recently gained attention which adapt to successive downstream tasks without catastrophic forgetting. These methods typically refrain from updating the pre-trained parameters and instead employ additional adapters, prompts, and classifiers. In this paper, we from a novel perspective investigate the benefit of sparse orthogonal parameters for continual learning. We found that merging sparse orthogonality of models learned from multiple streaming tasks has great potential in addressing catastrophic forgetting. Leveraging this insight, we propose a novel yet effective method called SoTU (Sparse Orthogonal Parameters TUning). We hypothesize that the effectiveness of SoTU lies in the transformation of knowledge learned from multiple domains into the fusion of orthogonal delta parameters. Experimental evaluations on diverse CL benchmarks demonstrate the effectiveness of the proposed approach. Notably, SoTU achieves optimal feature representation for streaming data without necessitating complex classifier designs, making it a Plug-and-Play solution.

This paper presents a novel real-time, delay-aware cooperative perception system designed for intelligent mobility platforms operating in dynamic indoor environments. The system contains a network of multi-modal sensor nodes and a central node that collectively provide perception services to mobility platforms. The proposed Hierarchical Clustering Considering the Scanning Pattern and Ground Contacting Feature based Lidar Camera Fusion improve intra-node perception for crowded environment. The system also features delay-aware global perception to synchronize and aggregate data across nodes. To validate our approach, we introduced the Indoor Pedestrian Tracking dataset, compiled from data captured by two indoor sensor nodes. Our experiments, compared to baselines, demonstrate significant improvements in detection accuracy and robustness against delays. The dataset is available in the repository: https://github.com/NingMingHao/MVSLab-IndoorCooperativePerception

Improving the effectiveness and efficiency of large language models (LLMs) simultaneously is a critical yet challenging research goal. In this paper, we find that low-rank pre-training, normally considered as efficient methods that will compromise performance, can be scalably effective when reduced parameters are precisely targeted. Specifically, applying the low-dimensional module only to the attention layer -- resolves this issue and enhances both effectiveness and efficiency. We refer to this structure as Low-dimensional Projected Attention (LPA) and provide an explanatory analysis. Through extensive experimentation at parameter scales of 130M, 370M, and scaling up to 3B, we have validated the effectiveness and scalability of LPA. Our results show that LPA model can save up to 12.4% in time while achieving an approximate 5% improvement in test perplexity (ppl) and on downstream tasks compared with the vanilla Transformer., Comment: Accepted to EMNLP 2024 (Main Conference)

In recent years, aerial object detection has been increasingly pivotal in various earth observation applications. However, current algorithms are limited to detecting a set of pre-defined object categories, demanding sufficient annotated training samples, and fail to detect novel object categories. In this paper, we put forth a novel formulation of the aerial object detection problem, namely open-vocabulary aerial object detection (OVAD), which can detect objects beyond training categories without costly collecting new labeled data. We propose CastDet, a CLIP-activated student-teacher detection framework that serves as the first OVAD detector specifically designed for the challenging aerial scenario, where objects often exhibit weak appearance features and arbitrary orientations. Our framework integrates a robust localization teacher along with several box selection strategies to generate high-quality proposals for novel objects. Additionally, the RemoteCLIP model is adopted as an omniscient teacher, which provides rich knowledge to enhance classification capabilities for novel categories. A dynamic label queue is devised to maintain high-quality pseudo-labels during training. By doing so, the proposed CastDet boosts not only novel object proposals but also classification. Furthermore, we extend our approach from horizontal OVAD to oriented OVAD with tailored algorithm designs to effectively manage bounding box representation and pseudo-label generation. Extensive experiments for both tasks on multiple existing aerial object detection datasets demonstrate the effectiveness of our approach. The code is available at https://github.com/lizzy8587/CastDet.

Due to the SU(3) symmetry breaking effect, the axial-vector kaons $K_1(1270)$ and $K_1(1400)$ are established to be mixtures of two P-wave $K_{1A}\left( {^3{P_1}} \right)$ and $K_{1B}\left( {^1{P_1}} \right)$ states. In QCD sum rules, we propose a new construction of the $K_1$ current operators and calculate the two-point correlation functions by including the next-to-leading order four-quark condensates. The mixing angle is determined as $\theta = \left( {46.95_{ - 0.23}^{ + 0.25}} \right)^\circ$ by reproducing the masses of $K_1(1270)$ and $K_1(1400)$. We further compose the $K\bar K_1\left( {1270} \right)$ and $K\bar K_1\left( {1400} \right)$ interpolating currents with exotic quantum numbers $J^{PC}=1^{-+}$ to investigate the possible molecular interpretation of the recently observed ${\eta _1}(1855)$ state. We calculate the correlation functions and perform the QCD sum rule analyses for these two molecular systems. However, the spectral functions are found to be negative in physical regions so that they are not able to provide reliable investigations of the $K\bar K_1$ molecular states., Comment: 10 pages, 9 figures. More references added, some typos are corrected

Although there have been automated approaches and tools supporting toxicity censorship for social posts, most of them focus on detection. Toxicity censorship is a complex process, wherein detection is just an initial task and a user can have further needs such as rationale understanding and content modification. For this problem, we conduct a needfinding study to investigate people's diverse needs in toxicity censorship and then build a ChatGPT-based censorship tool named DeMod accordingly. DeMod is equipped with the features of explainable Detection and personalized Modification, providing fine-grained detection results, detailed explanations, and personalized modification suggestions. We also implemented the tool and recruited 35 Weibo users for evaluation. The results suggest DeMod's multiple strengths like the richness of functionality, the accuracy of censorship, and ease of use. Based on the findings, we further propose several insights into the design of content censorship systems.

This paper introduces a novel framework for dynamic classification in high dimensional spaces, addressing the evolving nature of class distributions over time or other index variables. Traditional discriminant analysis techniques are adapted to learn dynamic decision rules with respect to the index variable. In particular, we propose and study a new supervised dimension reduction method employing kernel smoothing to identify the optimal subspace, and provide a comprehensive examination of this approach for both linear discriminant analysis and quadratic discriminant analysis. We illustrate the effectiveness of the proposed methods through numerical simulations and real data examples. The results show considerable improvements in classification accuracy and computational efficiency. This work contributes to the field by offering a robust and adaptive solution to the challenges of scalability and non-staticity in high-dimensional data classification.

Accurately diagnosing bearing faults is crucial for maintaining the efficient operation of rotating machinery. However, traditional diagnosis methods face challenges due to the diversification of application environments, including cross-condition adaptability, small-sample learning difficulties, and cross-dataset generalization. These challenges have hindered the effectiveness and limited the application of existing approaches. Large language models (LLMs) offer new possibilities for improving the generalization of diagnosis models. However, the integration of LLMs with traditional diagnosis techniques for optimal generalization remains underexplored. This paper proposed an LLM-based bearing fault diagnosis framework to tackle these challenges. First, a signal feature quantification method was put forward to address the issue of extracting semantic information from vibration data, which integrated time and frequency domain feature extraction based on a statistical analysis framework. This method textualized time-series data, aiming to efficiently learn cross-condition and small-sample common features through concise feature selection. Fine-tuning methods based on LoRA and QLoRA were employed to enhance the generalization capability of LLMs in analyzing vibration data features. In addition, the two innovations (textualizing vibration features and fine-tuning pre-trained models) were validated by single-dataset cross-condition and cross-dataset transfer experiment with complete and limited data. The results demonstrated the ability of the proposed framework to perform three types of generalization tasks simultaneously. Trained cross-dataset models got approximately a 10% improvement in accuracy, proving the adaptability of LLMs to input patterns. Ultimately, the results effectively enhance the generalization capability and fill the research gap in using LLMs for bearing fault diagnosis., Comment: 25 pages, 11 figures

In this paper, we extend the study of holographic superfluids from planar topology to spherical topology, inspired by recent studies on Bose-Einstein condensation (BEC) superfluid on shell-shaped geometry. We mainly focus on superfluid phase transition and Quasi Normal Modes (QNMs). It turns out that the critical temperature for the superfluid phase transition on the sphere is higher than that in the planar case. We investigated four different solutions in the backgrounds of large black hole and small black hole. The calculation of free energy selects the most stable solution. Finally, after calculating the quasi-normal modes and their dynamic behavior, we obtained three different channels similar to the planar superfluid case, along with the "first" hydrodynamic excitation, which may be associated with Berezinskii-Kosterlitz-Thoules (BKT) transition., Comment: 18 pages, 14 figures

Recent advancements in computational chemistry have leveraged the power of trans-former-based language models, such as MoLFormer, pre-trained using a vast amount of simplified molecular-input line-entry system (SMILES) sequences, to understand and predict molecular properties and activities, a critical step in fields like drug discovery and materials science. To further improve performance, researchers have introduced graph neural networks with graph-based molecular representations, such as GEM, incorporating the topology, geometry, 2D or even 3D structures of molecules into pre-training. While most of molecular graphs in existing studies were automatically converted from SMILES sequences, it is to assume that transformer-based language models might be able to implicitly learn structure-aware representations from SMILES sequences. In this paper, we propose \ours{} -- a SMILES-based \underline{\em M}olecular \underline{\em L}anguage \underline{\em M}odel, which randomly masking SMILES subsequences corresponding to specific molecular \underline{\em F}unctional \underline{\em G}roups to incorporate structure information of atoms during the pre-training phase. This technique aims to compel the model to better infer molecular structures and properties, thus enhancing its predictive capabilities. Extensive experimental evaluations across 11 benchmark classification and regression tasks in the chemical domain demonstrate the robustness and superiority of \ours{}. Our findings reveal that \ours{} outperforms existing pre-training models, either based on SMILES or graphs, in 9 out of the 11 downstream tasks, ranking as a close second in the remaining ones., Comment: Under review

Adapting pretrained image-based diffusion models to generate temporally consistent videos has become an impactful generative modeling research direction. Training-free noise-space manipulation has proven to be an effective technique, where the challenge is to preserve the Gaussian white noise distribution while adding in temporal consistency. Recently, Chang et al. (2024) formulated this problem using an integral noise representation with distribution-preserving guarantees, and proposed an upsampling-based algorithm to compute it. However, while their mathematical formulation is advantageous, the algorithm incurs a high computational cost. Through analyzing the limiting-case behavior of their algorithm as the upsampling resolution goes to infinity, we develop an alternative algorithm that, by gathering increments of multiple Brownian bridges, achieves their infinite-resolution accuracy while simultaneously reducing the computational cost by orders of magnitude. We prove and experimentally validate our theoretical claims, and demonstrate our method's effectiveness in real-world applications. We further show that our method readily extends to the 3-dimensional space.

Manipulating garments and fabrics has long been a critical endeavor in the development of home-assistant robots. However, due to complex dynamics and topological structures, garment manipulations pose significant challenges. Recent successes in reinforcement learning and vision-based methods offer promising avenues for learning garment manipulation. Nevertheless, these approaches are severely constrained by current benchmarks, which offer limited diversity of tasks and unrealistic simulation behavior. Therefore, we present GarmentLab, a content-rich benchmark and realistic simulation designed for deformable object and garment manipulation. Our benchmark encompasses a diverse range of garment types, robotic systems and manipulators. The abundant tasks in the benchmark further explores of the interactions between garments, deformable objects, rigid bodies, fluids, and human body. Moreover, by incorporating multiple simulation methods such as FEM and PBD, along with our proposed sim-to-real algorithms and real-world benchmark, we aim to significantly narrow the sim-to-real gap. We evaluate state-of-the-art vision methods, reinforcement learning, and imitation learning approaches on these tasks, highlighting the challenges faced by current algorithms, notably their limited generalization capabilities. Our proposed open-source environments and comprehensive analysis show promising boost to future research in garment manipulation by unlocking the full potential of these methods. We guarantee that we will open-source our code as soon as possible. You can watch the videos in supplementary files to learn more about the details of our work. Our project page is available at: https://garmentlab.github.io/, Comment: NeurIPS 2024

Pressure tuning has emerged as a powerful strategy for manipulating the thermoelectric properties of materials by inducing structural and electronic modifications. Herein, we systematically investigate the transport properties and thermoelectric performance concerning lattice distortions induced by hydrostatic pressure in Ag-based chalcopyrite AgXTe2 (X=In, Ga). The findings reveal that the lattice distortion in AgXTe2 exhibits distinct behaviors under lattice compression, diverging from trends observed at ambient pressure. Importantly, the hydrostatic pressure breaks the phenomenally negative correlation between thermal conductivity and lattice distortion. Pressure-induced softening of low-frequency acoustic phonons broadens the low-energy phonon spectrum, enhancing interactions between acoustic and optical phonons. Such broadening substantially increases the number of available three-phonon scattering channels, resulting in a marked reduction in thermal conductivity. Meanwhile, we establish a macroscopic connection between metavalent bonding and anharmonicity, providing an indirect explanation for lattice anharmonicity through pressure-driven transferred charge. Additionally, the applied pressure achieves a notable net increase in the power factor despite the strong coupling of electrical transport parameters, which underscores the potential for bidirectional optimization of transport properties in AgXTe2. As a result, the maximum ZT value of AgInTe2 is nearly doubled, demonstrating that pressure modulation is a powerful strategy for enhancing thermoelectric performance. Our work not only establishes the link between pressure, lattice dynamics, and thermoelectric properties within chalcopyrite AgXTe2, but also inspires the exploration of pressure-related optimization strategies for conventional thermoelectric materials.

This paper proposes a novel communication system framework based on a reconfigurable intelligent surface (RIS)-aided integrated sensing, communication, and power transmission (ISCPT) communication system. RIS is used to improve transmission efficiency and sensing accuracy. In addition, non-orthogonal multiple access (NOMA) technology is incorporated in RIS-aided ISCPT systems to boost the spectrum utilization efficiency of RIS-aided ISCPT systems. We consider the power minimization problem of the RIS-aided ISCPT-NOMA system. Power minimization is achieved by jointly optimizing the RIS phase shift, decoding order, power splitting (PS) factor, and transmit beamforming while satisfying quality of service (QoS), radar target sensing accuracy, and energy harvesting constraints. Since the objective function and constraints in the optimization problem are non-convex, the problem is an NP-hard problem. To solve the non-convex problem, this paper proposes a block coordinate descent (BCD) algorithm. Specifically, the non-convex problem is divided into four sub-problems: i.e. the transmit beamforming, RIS phase shift, decoding order and PS factor optimization subproblems. We employ semidefinite relaxation (SDR) and successive convex approximation (SCA) techniques to address the transmit beamforming optimization sub-problem. Subsequently, we leverage the alternating direction method of multipliers (ADMM) algorithm to solve the RIS phase shift optimization problem. As for the decoding order optimization, we provide a closed-form expression. For the PS factor optimization problem, the SCA algorithm is proposed. Simulation results illustrate the effectiveness of our proposed algorithm and highlight the balanced performance achieved across sensing, communication, and power transfer.

Traditional methods for optimizing light source emissions rely on a time-consuming trial-and-error approach. While in-situ optimization of light source gain media emission during growth is ideal, it has yet to be realized. In this work, we integrate in-situ reflection high-energy electron diffraction (RHEED) with machine learning (ML) to correlate the surface reconstruction with the photoluminescence (PL) of InAs/GaAs quantum dots (QDs), which serve as the active region of lasers. A lightweight ResNet-GLAM model is employed for the real-time processing of RHEED data as input, enabling effective identification of optical performance. This approach guides the dynamic optimization of growth parameters, allowing real-time feedback control to adjust the QDs emission for lasers. We successfully optimized InAs QDs on GaAs substrates, with a 3.2-fold increase in PL intensity and a reduction in full width at half maximum (FWHM) from 36.69 meV to 28.17 meV under initially suboptimal growth conditions. Our automated, in-situ self-optimized lasers with 5-layer InAs QDs achieved electrically pumped continuous-wave operation at 1240 nm with a low threshold current of 150 A/cm2 at room temperature, an excellent performance comparable to samples grown through traditional manual multi-parameter optimization methods. These results mark a significant step toward intelligent, low-cost, and reproductive light emitters production., Comment: 5 figures

Transformer-based Diffusion Probabilistic Models (DPMs) have shown more potential than CNN-based DPMs, yet their extensive computational requirements hinder widespread practical applications. To reduce the computation budget of transformer-based DPMs, this work proposes the Efficient Diffusion Transformer (EDT) framework. The framework includes a lightweight-design diffusion model architecture, and a training-free Attention Modulation Matrix and its alternation arrangement in EDT inspired by human-like sketching. Additionally, we propose a token relation-enhanced masking training strategy tailored explicitly for EDT to augment its token relation learning capability. Our extensive experiments demonstrate the efficacy of EDT. The EDT framework reduces training and inference costs and surpasses existing transformer-based diffusion models in image synthesis performance, thereby achieving a significant overall enhancement. With lower FID, EDT-S, EDT-B, and EDT-XL attained speed-ups of 3.93x, 2.84x, and 1.92x respectively in the training phase, and 2.29x, 2.29x, and 2.22x respectively in inference, compared to the corresponding sizes of MDTv2. The source code is released at https://github.com/xinwangChen/EDT., Comment: Xinwang Chen and Ning Liu are with equal contributions. This paper has been accepted by NeurIPS 2024

Scaling laws for critical phenomena take pivotal status in almost all branches of physics. However, as scaling laws are commonly guaranteed by the renormalization group theory, systems that violate them have rarely been found. In this letter, we demonstrate that gravitational system can break scaling laws. We derive this result through investigating phase transition and critical phenomenon in a gravitational system with quantum anomaly. For the first time, we outline the key conditions to violate the scaling laws in generic gravitational system viewed from the equation of state $P=P(T,V)$. Our results indicate that quantum effects can magnify the distinctiveness of gravity, which may be significant to understand the microscopic structure of spacetime., Comment: 7 pages, 3 figures

Photonic linear operation is a promising approach to handle the extensive vector multiplications in artificial intelligence techniques due to the natural bosonic parallelism and high-speed information transmission of photonics. Although it is believed that maximizing the interaction of the light beams is necessary to fully utilize the parallelism and tremendous efforts have been made in past decades, the achieved dimensionality of vector-matrix multiplication is very limited due to the difficulty of scaling up a tightly interconnected or highly coupled optical system. Additionally, there is still a lack of a universal photonic computing architecture that can be readily merged with existing computing system to meet the computing power demand of AI techniques. Here, we propose a programmable and reconfigurable photonic linear vector machine to perform only the inner product of two vectors, formed by a series of independent basic computing units, while each unit is just one pair of light-emitter and photodetector. Since there is no interaction among light beams inside, extreme scalability could be achieved by simply duplicating the independent basic computing unit while there is no requirement of large-scale analog-to-digital converter and digital-to-analog converter arrays. Our architecture is inspired by the traditional Chinese Suanpan or abacus and thus is denoted as photonic SUANPAN. As a proof of principle, SUANPAN architecture is implemented with an 8*8 vertical cavity surface emission laser array and an 8*8 MoTe2 two-dimensional material photodetector array. We believe that our proposed photonic SUANPAN is capable of serving as a fundamental linear vector machine that can be readily merged with existing electronic digital computing system and is potential to enhance the computing power for future various AI applications.

LiFePO4 batteries are widely used in electric vehicles and energy storage systems due to long cycle life and high safety performance. However, the OCV-SOC curve (OSC) of these batteries features a long plateau region, making state of charge (SOC) estimation highly sensitive to OSC error, which arises due to aging and temperature. To address this, we propose an SOC estimation method that accounts for error in OSC. First, we establish battery equivalent circuit model (ECM) and introduce a parameters identification algorithm based on adaptive recursive least squares. Next, we derive the relationship between the innovation's cross-correlation matrix (CCM)/ auto-correlation matrix (ACM) of the Kalman filter and the OSC error. We then develop an adaptive multi-model Kalman filter (AMMKF), which dynamically adjusts the measurement model parameters of each filter based on the sign of the OSC error. By assigning a probability to each filter according to its predicted voltage distribution function, the optimal filter is selected. The proposed method is tested under various OSC error types and operating conditions. Results demonstrate that the proposed method achieves high accuracy and robustness, with an RMSE of less than 3\%, which is more than 10\% lower than the estimation error of traditional method., Comment: 10 pages,9 figures

We propose a novel strategy to fit experimental data using a UV complete amplitude ansatz satisfying the constraints of Analyticity, Crossing, and Unitarity. We focus on $\pi\pi$ scattering combining both experimental and lattice data. The fit strategy requires using S-matrix Bootstrap methods and non-convex Particle Swarm Optimization techniques. Using this procedure, we numerically construct a full-fledged scattering amplitude that fits the data and contains the known QCD spectrum that couples to $\pi \pi$ states below $1.4$ GeV. The amplitude constructed agrees below the two-particle threshold with the two-loop $\chi$PT prediction. Moreover, we correctly predict the $D_2$ phase shift, the appearance of a spin three state, and the behavior of the high-energy total cross-section. Finally, we find a genuine tetraquark resonance around 2 GeV, which we argue might be detected by looking into the decays of B mesons., Comment: 10 pages + appendices, 13 figures

Using $(10087\pm44)\times 10^{6}$ $J/\psi$ decays collected by the BESIII detector at the BEPCII collider, we search for baryon number violation via $\Lambda-\bar{\Lambda}$ oscillation in the decay $J/\psi \to \Lambda \bar{\Lambda}$. No evidence for $\Lambda-\bar\Lambda$ oscillation is observed. The upper limit on the time-integrated probability of $\Lambda-\bar{\Lambda}$ oscillation is estimated to be $1.4\times 10^{-6}$, corresponding to an oscillation parameter less than $2.1\times 10^{-18}~\mathrm{GeV}$ at $90\%$ confidence level., Comment: 8 pages, 2 figures