arXiv subjects

Zhiyu Zhang

Publications and source records attributed to Zhiyu Zhang.

At least 55 records · Page 3Linked to original sources

arXiv2025

Recognizing and generating knotted molecular structures by machine learning

Knotted molecules occur naturally and are designed by scientists to gain special biological and material properties. Understanding and utilizing knotting require efficient methods to recognize and generate knotted structures, which are unsolved problems in mathematics and physics. Here, we solve these two problems using machine learning. First, our Transformer-based neural network (NN) can recognize the knot types of given chain conformations with an accuracy of $>99\%$. We can use a single NN model to recognize knots with different chain lengths, and our computational speed is about 4500 times faster than the most popular mathematical method for knot recognition: the Alexander polynomials. Second, we for the first time design a diffusion-based NN model to generate conformations for given knot types. The generated conformations satisfy not only the desired knot types, but also the correct physical distributions of the radii of gyration and knot sizes. The results have several implications. First, the Transformer is suitable for handling knotting tasks, probably because of its strength in processing sequence information, a key component in knotting. Second, our NN can replace mathematical methods of knot recognition for faster speed on many occasions. Third, our models can facilitate the design of knotted protein structures. Lastly, analyzing how NN recognizes knot types can provide insight into the principle behind knots, an unsolved problem in mathematics. We provide an online website (http://144.214.24.236) for using our models.

physics.comp-ph↗

arXiv2025

Dwarf Galaxy Integral-field Survey (DGIS): survey overview and the result of global mass-metallicity relation

Low-mass galaxies are the building blocks of massive galaxies in the framework of hierarchical structure formation. To enable detailed studies of galactic ecosystems in dwarf galaxies by spatially resolving different galactic components, we have carried out the Dwarf Galaxy Integral-field Survey (DGIS). This survey aims to acquire observations with spatial resolutions as high as 10 to 100 pc while maintaining reasonably high signal-to-noise ratios with VLT/MUSE and ANU-2.3m/WiFeS. The whole sample will be composed of 65 dwarf galaxies with $M_{\rm \ast}$ $<$ 10$^{9}$ $\rm M_{\odot}$, selected from the Spitzer Local Volume Legacy Survey. The overall scientific goals include studying baryonic cycles in dwarf galaxies, searching for off-nuclear (intermediate)-massive black holes, and quantifying the inner density profiles of dark matter. In this work, we describe the sample selection, data reduction, and high-level data products. By integrating the spectra over the field of view for each galaxy, we obtained the integrated gas-phase metallicity and discussed its dependence on stellar mass and SFR. We find that the overall relation between metallicity and stellar mass of our DGIS nearly follows the extrapolation from the higher mass end. Its dispersion does not decrease by invoking the dependence on SFR.

astro-ph.GA↗

arXiv2024

CognTKE: A Cognitive Temporal Knowledge Extrapolation Framework

Reasoning future unknowable facts on temporal knowledge graphs (TKGs) is a challenging task, holding significant academic and practical values for various fields. Existing studies exploring explainable reasoning concentrate on modeling comprehensible temporal paths relevant to the query. Yet, these path-based methods primarily focus on local temporal paths appearing in recent times, failing to capture the complex temporal paths in TKG and resulting in the loss of longer historical relations related to the query. Motivated by the Dual Process Theory in cognitive science, we propose a \textbf{Cogn}itive \textbf{T}emporal \textbf{K}nowledge \textbf{E}xtrapolation framework (CognTKE), which introduces a novel temporal cognitive relation directed graph (TCR-Digraph) and performs interpretable global shallow reasoning and local deep reasoning over the TCR-Digraph. Specifically, the proposed TCR-Digraph is constituted by retrieving significant local and global historical temporal relation paths associated with the query. In addition, CognTKE presents the global shallow reasoner and the local deep reasoner to perform global one-hop temporal relation reasoning (System 1) and local complex multi-hop path reasoning (System 2) over the TCR-Digraph, respectively. The experimental results on four benchmark datasets demonstrate that CognTKE achieves significant improvement in accuracy compared to the state-of-the-art baselines and delivers excellent zero-shot reasoning ability. \textit{The code is available at https://github.com/WeiChen3690/CognTKE}.

cs.AI↗

arXiv2024

Efficient Dynamic-NeRF Based Volumetric Video Coding with Rate Distortion Optimization

Volumetric videos, benefiting from immersive 3D realism and interactivity, hold vast potential for various applications, while the tremendous data volume poses significant challenges for compression. Recently, NeRF has demonstrated remarkable potential in volumetric video compression thanks to its simple representation and powerful 3D modeling capabilities, where a notable work is ReRF. However, ReRF separates the modeling from compression process, resulting in suboptimal compression efficiency. In contrast, in this paper, we propose a volumetric video compression method based on dynamic NeRF in a more compact manner. Specifically, we decompose the NeRF representation into the coefficient fields and the basis fields, incrementally updating the basis fields in the temporal domain to achieve dynamic modeling. Additionally, we perform end-to-end joint optimization on the modeling and compression process to further improve the compression efficiency. Extensive experiments demonstrate that our method achieves higher compression efficiency compared to ReRF on various datasets.

cs.CV↗

arXiv2024

Rate-aware Compression for NeRF-based Volumetric Video

The neural radiance fields (NeRF) have advanced the development of 3D volumetric video technology, but the large data volumes they involve pose significant challenges for storage and transmission. To address these problems, the existing solutions typically compress these NeRF representations after the training stage, leading to a separation between representation training and compression. In this paper, we try to directly learn a compact NeRF representation for volumetric video in the training stage based on the proposed rate-aware compression framework. Specifically, for volumetric video, we use a simple yet effective modeling strategy to reduce temporal redundancy for the NeRF representation. Then, during the training phase, an implicit entropy model is utilized to estimate the bitrate of the NeRF representation. This entropy model is then encoded into the bitstream to assist in the decoding of the NeRF representation. This approach enables precise bitrate estimation, thereby leading to a compact NeRF representation. Furthermore, we propose an adaptive quantization strategy and learn the optimal quantization step for the NeRF representations. Finally, the NeRF representation can be optimized by using the rate-distortion trade-off. Our proposed compression framework can be used for different representations and experimental results demonstrate that our approach significantly reduces the storage size with marginal distortion and achieves state-of-the-art rate-distortion performance for volumetric video on the HumanRF and ReRF datasets. Compared to the previous state-of-the-art method TeTriRF, we achieved an approximately -80% BD-rate on the HumanRF dataset and -60% BD-rate on the ReRF dataset.

cs.MM↗

arXiv2024

Fast TRAC: A Parameter-Free Optimizer for Lifelong Reinforcement Learning

A key challenge in lifelong reinforcement learning (RL) is the loss of plasticity, where previous learning progress hinders an agent's adaptation to new tasks. While regularization and resetting can help, they require precise hyperparameter selection at the outset and environment-dependent adjustments. Building on the principled theory of online convex optimization, we present a parameter-free optimizer for lifelong RL, called TRAC, which requires no tuning or prior knowledge about the distribution shifts. Extensive experiments on Procgen, Atari, and Gym Control environments show that TRAC works surprisingly well-mitigating loss of plasticity and rapidly adapting to challenging distribution shifts-despite the underlying optimization problem being nonconvex and nonstationary.

cs.LG↗

arXiv2024

Laboratorial radiative shocks with multiple parameters and first quantifying verifications to core-collapse supernovae

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.

astro-ph.HE↗

arXiv2024

Turbo your multi-modal classification with contrastive learning

Contrastive learning has become one of the most impressive approaches for multi-modal representation learning. However, previous multi-modal works mainly focused on cross-modal understanding, ignoring in-modal contrastive learning, which limits the representation of each modality. In this paper, we propose a novel contrastive learning strategy, called $Turbo$, to promote multi-modal understanding by joint in-modal and cross-modal contrastive learning. Specifically, multi-modal data pairs are sent through the forward pass twice with different hidden dropout masks to get two different representations for each modality. With these representations, we obtain multiple in-modal and cross-modal contrastive objectives for training. Finally, we combine the self-supervised Turbo with the supervised multi-modal classification and demonstrate its effectiveness on two audio-text classification tasks, where the state-of-the-art performance is achieved on a speech emotion recognition benchmark dataset.

cs.LG↗

arXiv2024

M$^{3}$V: A multi-modal multi-view approach for Device-Directed Speech Detection

With the goal of more natural and human-like interaction with virtual voice assistants, recent research in the field has focused on full duplex interaction mode without relying on repeated wake-up words. This requires that in scenes with complex sound sources, the voice assistant must classify utterances as device-oriented or non-device-oriented. The dual-encoder structure, which is jointly modeled by text and speech, has become the paradigm of device-directed speech detection. However, in practice, these models often produce incorrect predictions for unaligned input pairs due to the unavoidable errors of automatic speech recognition (ASR).To address this challenge, we propose M$^{3}$V, a multi-modal multi-view approach for device-directed speech detection, which frames we frame the problem as a multi-view learning task that introduces unimodal views and a text-audio alignment view in the network besides the multi-modal. Experimental results show that M$^{3}$V significantly outperforms models trained using only single or multi-modality and surpasses human judgment performance on ASR error data for the first time.

cs.SD↗

arXiv2024

DSCLAP: Domain-Specific Contrastive Language-Audio Pre-Training

Analyzing real-world multimodal signals is an essential and challenging task for intelligent voice assistants (IVAs). Mainstream approaches have achieved remarkable performance on various downstream tasks of IVAs with pre-trained audio models and text models. However, these models are pre-trained independently and usually on tasks different from target domains, resulting in sub-optimal modality representations for downstream tasks. Moreover, in many domains, collecting enough language-audio pairs is extremely hard, and transcribing raw audio also requires high professional skills, making it difficult or even infeasible to joint pre-training. To address these painpoints, we propose DSCLAP, a simple and effective framework that enables language-audio pre-training with only raw audio signal input. Specifically, DSCLAP converts raw audio signals into text via an ASR system and combines a contrastive learning objective and a language-audio matching objective to align the audio and ASR transcriptions. We pre-train DSCLAP on 12,107 hours of in-vehicle domain audio. Empirical results on two downstream tasks show that while conceptually simple, DSCLAP significantly outperforms the baseline models in all metrics, showing great promise for domain-specific IVAs applications.

cs.SD↗

arXiv2024

Graph neural network-based surrogate modelling for real-time hydraulic prediction of urban drainage networks

Physics-based models are computationally time-consuming and infeasible for real-time scenarios of urban drainage networks, and a surrogate model is needed to accelerate the online predictive modelling. Fully-connected neural networks (NNs) are potential surrogate models, but may suffer from low interpretability and efficiency in fitting complex targets. Owing to the state-of-the-art modelling power of graph neural networks (GNNs) and their match with urban drainage networks in the graph structure, this work proposes a GNN-based surrogate of the flow routing model for the hydraulic prediction problem of drainage networks, which regards recent hydraulic states as initial conditions, and future runoff and control policy as boundary conditions. To incorporate hydraulic constraints and physical relationships into drainage modelling, physics-guided mechanisms are designed on top of the surrogate model to restrict the prediction variables with flow balance and flooding occurrence constraints. According to case results in a stormwater network, the GNN-based model is more cost-effective with better hydraulic prediction accuracy than the NN-based model after equal training epochs, and the designed mechanisms further limit prediction errors with interpretable domain knowledge. As the model structure adheres to the flow routing mechanisms and hydraulic constraints in urban drainage networks, it provides an interpretable and effective solution for data-driven surrogate modelling. Simultaneously, the surrogate model accelerates the predictive modelling of urban drainage networks for real-time use compared with the physics-based model.

cs.LG↗

arXiv2024

NOEMA formIng Cluster survEy (NICE): Characterizing eight massive galaxy groups at $1.5 < z < 4$ in the COSMOS field

The NOEMA formIng Cluster survEy (NICE) is a large program targeting 69 massive galaxy group candidates at $z>2$ in six deep fields. We report spectroscopic confirmation of eight groups at $1.65\leq z\leq3.61$ in COSMOS. Homogeneously selected as significant overdensities of red IRAC sources with red Herschel colors, four groups are confirmed by CO and [CI] with NOEMA 3mm observations, three are confirmed with ALMA, and one is confirmed by H$α$ from Subaru/FMOS. We constructed the integrated FIR SEDs for the eight groups, obtaining total IR SFR $=260-1300~{\rm M_\odot}$~yr$^{-1}$. We adopted six methods to estimate the dark matter masses, including stellar mass to halo mass relations, overdensity with galaxy bias, and NFW profile fitting to radial stellar mass density. We found the radial stellar mass density are consistent with a NFW profile, supporting that they are collapsed structures hosted by a single dark matter halo. The best halo mass estimates are $\log(M_{\rm h}/{\rm M_\odot})=12.8-13.7$ with uncertainty of 0.3 dex. From halo mass estimates, we derive baryonic accretion rate ${\rm BAR}=(1-8)\times10^{3}\,{\rm M_{\odot}/yr}$ for this sample. We find a quasi-linear correlation between the integrated SFR/BAR and the theoretical halo mass limit for cold streams, $M_{\rm stream}/M_{\rm h}$, with ${\rm SFR/BAR}=10^{-0.46\pm0.22}\left({M_{\rm stream}/M_{\rm h}}\right)^{0.71\pm0.16}$ with a scatter of $0.40\,{\rm dex}$. Further, we compare halo masses and stellar masses with simulations, and find all structures are consistent with being progenitors of $M_{\rm h}(z=0)>10^{14}\,{\rm M_{\odot}}$ galaxy clusters, and the most massive central galaxies have stellar masses consistent with brightest cluster galaxies (BCGs) progenitors in the TNG300 simulation. The results strongly suggest these structures are forming massive galaxy clusters via baryonic and dark matter accretion.

astro-ph.GA↗

arXiv2024

Discounted Adaptive Online Learning: Towards Better Regularization

We study online learning in adversarial nonstationary environments. Since the future can be very different from the past, a critical challenge is to gracefully forget the history while new data comes in. To formalize this intuition, we revisit the discounted regret in online convex optimization, and propose an adaptive (i.e., instance optimal), FTRL-based algorithm that improves the widespread non-adaptive baseline -- gradient descent with a constant learning rate. From a practical perspective, this refines the classical idea of regularization in lifelong learning: we show that designing good regularizers can be guided by the principled theory of adaptive online optimization. Complementing this result, we also consider the (Gibbs and Candès, 2021)-style online conformal prediction problem, where the goal is to sequentially predict the uncertainty sets of a black-box machine learning model. We show that the FTRL nature of our algorithm can simplify the conventional gradient-descent-based analysis, leading to instance-dependent performance guarantees.

cs.LG↗

arXiv2024

Non-reductive special cycles and Twisted Arithmetic Fundamental Lemma

We consider arithmetic analogs of the relative Langlands program and applications of new non-reductive geometry. Firstly, we introduce mirabolic special cycles, which produce special cycles on many Hodge type Rapoport-Zink spaces via pullbacks e.g. Kudla--Rapoport cycles. Secondly, we formulate arithmetic intersection problems for these cycles and formulate a method of arithmetic induction. As a main example, we formulate arithmetic twisted Gan--Gross--Prasad conjectures on unitary Shimura varieties and prove a key twisted arithmetic fundamental lemma using mirabolic special cycles, arithmetic inductions, and Weil type relative trace formulas.

math.NT↗

arXiv2024

Understanding Adam Optimizer via Online Learning of Updates: Adam is FTRL in Disguise

Despite the success of the Adam optimizer in practice, the theoretical understanding of its algorithmic components still remains limited. In particular, most existing analyses of Adam show the convergence rate that can be simply achieved by non-adative algorithms like SGD. In this work, we provide a different perspective based on online learning that underscores the importance of Adam's algorithmic components. Inspired by Cutkosky et al. (2023), we consider the framework called online learning of updates/increments, where we choose the updates/increments of an optimizer based on an online learner. With this framework, the design of a good optimizer is reduced to the design of a good online learner. Our main observation is that Adam corresponds to a principled online learning framework called Follow-the-Regularized-Leader (FTRL). Building on this observation, we study the benefits of its algorithmic components from the online learning perspective.

cs.LG↗

arXiv2024

Unidirectional charge orders induced by oxygen vacancies on SrTiO$_3$(001)

The discovery of high-mobility two-dimensional electron gas and low carrier density superconductivity in multiple SrTiO$_3$-based heterostructures has stimulated intense interest in the surface properties of SrTiO$_3$. The recent discovery of high-T$_c$ superconductivity in the monolayer FeSe/SrTiO$_3$ aroused the upsurge and underscored the atomic precision probe of the surface structure. By performing atomically resolved cryogenic scanning tunneling microscopy/spectroscopy characterization on dual-TiO$_{2}$-$δ$-terminated SrTiO$_3$(001) surfaces with ($\sqrt{13}$ $\times$ $\sqrt{13}$), c(4 $\times$ 2), mixed (2 $\times$ 1), and (2 $\times$ 2) reconstructions, we disclosed universally broken rotational symmetry and contrasting bias- and temperature-dependent electronic states for apical and equatorial oxygen sites. With the sequentially evolved surface reconstructions and simultaneously increasing equatorial oxygen vacancies, the surface anisotropy reduces, and the work function lowers. Intriguingly, unidirectional stripe orders appear on the c(4 $\times$ 2) surface, whereas local (4 $\times$ 4) order emerges and eventually forms long-range unidirectional c(4 $\times$ 4) charge order on the (2 $\times$ 2) surface. This work reveals robust unidirectional charge orders induced by oxygen vacancies due to strong and delicate electronic-lattice interaction under broken rotational symmetry, providing insights into understanding the complex behaviors in perovskite oxide-based heterostructures.

cond-mat.mes-hall↗

arXiv2024

Maximal parahoric arithmetic transfers, resolutions and modularity

For any unramified quadratic extension of $p$-adic local fields $F/F_0$ $(p>2)$, we formulate several arithmetic transfer conjectures at any maximal parahoric level, in the context of Zhang's relative trace formula approach to the arithmetic Gan--Gross--Prasad conjecture. The formulation involves a way to resolve the singularity of relevant moduli spaces via natural stratifications and modify derived fixed points. By a local-global method and double induction, we prove these conjectures for $F_0$ unramified over $\mathbb Q_p$, including the arithmetic fundamental lemma for $p>2$. Moreover, we prove new modularity results for arithmetic theta series at parahoric levels via a method of modification over $\mathbb F_q$ and $\mathbb C$. Along the way, we study the complex and mod $p$ geometry of Shimura varieties and special cycles. We introduce the relative Cayley map and also establish Jacquet--Rallis transfers at maximal parahoric levels.

math.NT↗

arXiv2024

Ubiquitous short-range order in multi-principal element alloys

Recent research in multi-principal element alloys (MPEAs) has increasingly focused on the exploration and exploitation of short-range order (SRO) to enhance material performance. However, the understanding of SRO formation and the precise tuning of it within MPEAs remains poorly understood, limiting the comprehension of its impact on material properties and impeding the advancement of SRO engineering. Here, leveraging advanced additive manufacturing techniques that produce samples with a wide range of cooling rates (up to 10^7 K/s) and an improved quantitative electron microscopy method, we characterize SRO in three CoCrNi-based MPEAs to unravel the role of processing route and thermal history on SRO. Surprisingly, irrespective of the processing and thermal treatment applied, all samples exhibit similar levels of SRO, suggesting that prevalent SRO may form during the solidification process. Atomistic simulations of solidification verify that local chemical ordering arises in the liquid-solid interface (solidification front) even under the extreme cooling rate of 10^11 K/s. This phenomenon stems from the swift atomic diffusion in the supercooled liquid, which matches or even surpasses the rate of solidification. Therefore, SRO is an inherent characteristic of most MPEAs, insensitive to variations in cooling rates and annealing treatments typically available in experiments. Integrating thermal treatment with other strategies, such as mechanical deformation and irradiation, might be more effective approaches for harnessing SRO to achieve controlled material properties.

cond-mat.mtrl-sci↗