arXiv subjects

Yu Rong

Publications and source records attributed to Yu Rong.

At least 109 records · Page 6Linked to original sources

arXiv2024

MGCP: A Multi-Grained Correlation based Prediction Network for Multivariate Time Series

Multivariate time series prediction is widely used in daily life, which poses significant challenges due to the complex correlations that exist at multi-grained levels. Unfortunately, the majority of current time series prediction models fail to simultaneously learn the correlations of multivariate time series at multi-grained levels, resulting in suboptimal performance. To address this, we propose a Multi-Grained Correlations-based Prediction (MGCP) Network, which simultaneously considers the correlations at three granularity levels to enhance prediction performance. Specifically, MGCP utilizes Adaptive Fourier Neural Operators and Graph Convolutional Networks to learn the global spatiotemporal correlations and inter-series correlations, enabling the extraction of potential features from multivariate time series at fine-grained and medium-grained levels. Additionally, MGCP employs adversarial training with an attention mechanism-based predictor and conditional discriminator to optimize prediction results at coarse-grained level, ensuring high fidelity between the generated forecast results and the actual data distribution. Finally, we compare MGCP with several state-of-the-art time series prediction algorithms on real-world benchmark datasets, and our results demonstrate the generality and effectiveness of the proposed model.

cs.LG↗

arXiv2024

Equivariant Spatio-Temporal Attentive Graph Networks to Simulate Physical Dynamics

Learning to represent and simulate the dynamics of physical systems is a crucial yet challenging task. Existing equivariant Graph Neural Network (GNN) based methods have encapsulated the symmetry of physics, \emph{e.g.}, translations, rotations, etc, leading to better generalization ability. Nevertheless, their frame-to-frame formulation of the task overlooks the non-Markov property mainly incurred by unobserved dynamics in the environment. In this paper, we reformulate dynamics simulation as a spatio-temporal prediction task, by employing the trajectory in the past period to recover the Non-Markovian interactions. We propose Equivariant Spatio-Temporal Attentive Graph Networks (ESTAG), an equivariant version of spatio-temporal GNNs, to fulfill our purpose. At its core, we design a novel Equivariant Discrete Fourier Transform (EDFT) to extract periodic patterns from the history frames, and then construct an Equivariant Spatial Module (ESM) to accomplish spatial message passing, and an Equivariant Temporal Module (ETM) with the forward attention and equivariant pooling mechanisms to aggregate temporal message. We evaluate our model on three real datasets corresponding to the molecular-, protein- and macro-level. Experimental results verify the effectiveness of ESTAG compared to typical spatio-temporal GNNs and equivariant GNNs.

cs.LG↗

arXiv2024

Neural Atoms: Propagating Long-range Interaction in Molecular Graphs through Efficient Communication Channel

Graph Neural Networks (GNNs) have been widely adopted for drug discovery with molecular graphs. Nevertheless, current GNNs mainly excel in leveraging short-range interactions (SRI) but struggle to capture long-range interactions (LRI), both of which are crucial for determining molecular properties. To tackle this issue, we propose a method to abstract the collective information of atomic groups into a few $\textit{Neural Atoms}$ by implicitly projecting the atoms of a molecular. Specifically, we explicitly exchange the information among neural atoms and project them back to the atoms' representations as an enhancement. With this mechanism, neural atoms establish the communication channels among distant nodes, effectively reducing the interaction scope of arbitrary node pairs into a single hop. To provide an inspection of our method from a physical perspective, we reveal its connection to the traditional LRI calculation method, Ewald Summation. The Neural Atom can enhance GNNs to capture LRI by approximating the potential LRI of the molecular. We conduct extensive experiments on four long-range graph benchmarks, covering graph-level and link-level tasks on molecular graphs. We achieve up to a 27.32% and 38.27% improvement in the 2D and 3D scenarios, respectively. Empirically, our method can be equipped with an arbitrary GNN to help capture LRI. Code and datasets are publicly available in https://github.com/tmlr-group/NeuralAtom.

cs.LG↗

arXiv2024

Gas-rich Ultra-diffuse Galaxies Are Originated from High Specific Angular Momentum

Ultra-diffuse galaxies, characterized by comparable effective radii to the Milky Way but possessing 100-1,000 times fewer stars, offer a unique opportunity to garner novel insights into the mechanisms governing galaxy formation. Nevertheless, the existing corpus of observational and simulation studies has not yet yielded a definitive constraint or comprehensive consensus on the formation mechanisms underlying ultra-diffuse galaxies. In this study, we delve into the properties of ultra-diffuse galaxies enriched with neutral hydrogen using a semi-analytic method, with the explicit aim of constraining existing ultra-diffuse galaxy formation models. We find that the gas-rich ultra-diffuse galaxies are statistically not failed $L^{\star}$ galaxies nor dark matter deficient galaxies. In statistical terms, these ultra-diffuse galaxies exhibit comparable halo concentration, but higher baryonic mass fraction, as well as higher stellar and gas specific angular momentum, in comparison to typical dwarf galaxy counterparts. Our analysis unveils that higher gas specific angular momentum serves as the underlying factor elucidating the observed heightened baryonic mass fractions, diminished star formation efficiency, expanded stellar disk sizes, and reduced stellar densities in ultra-diffuse galaxies. Our findings make significant contributions to advancing our knowledge of ultra-diffuse galaxy formation and shed light on the intricate interplay between gas dynamics and the evolution of galaxies.

astro-ph.GA↗

arXiv2024

Galaxy Triplets Alignment in Large-scale Filaments

Leveraging the datasets of galaxy triplets and large-scale filaments obtained from the Sloan Digital Sky Survey, we scrutinize the alignment of the three sides of the triangles formed by galaxy triplets and the normal vectors of the triplet planes within observed large-scale filaments. Our statistical investigation reveals that the longest and median sides of the galaxy triplets exhibit a robust alignment with the spines of their host large-scale filaments, while the shortest sides show no or only weak alignment with the filaments. Additionally, the normal vectors of triplets tend to be perpendicular to the filaments. The alignment signal diminishes rapidly with the increasing distance from the triplet to the filament spine, and is primarily significant for triplets located within distances shorter than $0.2$~Mpc$/h$, with a confidence level exceeding $20σ$. Moreover, in comparison to compact galaxy triplets, the alignment signal is more conspicuous among the loose triplets. This alignment analysis contributes to the formulation of a framework depicting the clustering and relaxation of galaxies within cosmological large-scale filament regimes, providing deeper insights into the intricate interactions between galaxies and their pivotal role in shaping galaxy groups.

astro-ph.GA↗

arXiv2024

SEGNO: Generalizing Equivariant Graph Neural Networks with Physical Inductive Biases

Graph Neural Networks (GNNs) with equivariant properties have emerged as powerful tools for modeling complex dynamics of multi-object physical systems. However, their generalization ability is limited by the inadequate consideration of physical inductive biases: (1) Existing studies overlook the continuity of transitions among system states, opting to employ several discrete transformation layers to learn the direct mapping between two adjacent states; (2) Most models only account for first-order velocity information, despite the fact that many physical systems are governed by second-order motion laws. To incorporate these inductive biases, we propose the Second-order Equivariant Graph Neural Ordinary Differential Equation (SEGNO). Specifically, we show how the second-order continuity can be incorporated into GNNs while maintaining the equivariant property. Furthermore, we offer theoretical insights into SEGNO, highlighting that it can learn a unique trajectory between adjacent states, which is crucial for model generalization. Additionally, we prove that the discrepancy between this learned trajectory of SEGNO and the true trajectory is bounded. Extensive experiments on complex dynamical systems including molecular dynamics and motion capture demonstrate that our model yields a significant improvement over the state-of-the-art baselines.

cs.LG↗

arXiv2023

The Clumpy Structure Of Five Star-bursting Dwarf Galaxies In The MaNGA Survey

The star-forming clumps in star-bursting dwarf galaxies provide valuable insights into the understanding of the evolution of dwarf galaxies. In this paper, we focus on five star-bursting dwarf galaxies featuring off-centered clumps in the Mapping Nearby Galaxies at Apache Point Observatory (MaNGA) survey. Using the stellar population synthesis software FADO, we obtain the spatially-resolved distribution of the star formation history, which allows us to construct the $g$-band images of the five galaxies at different ages. These images can help us to probe the evolution of the morphological structures of these galaxies. While images of stellar population older than 1 Gyr are typically smooth, images of stellar population younger than 1 Gyr reveal significant clumps, including multiple clumps which appear at different locations and even different ages. To study the evolutionary connections of these five galaxies to other dwarf galaxies before their star-forming clumps appear, we construct the images of the stellar populations older than three age nodes, and define them to be the images of the "host" galaxies. We find that the properties such as the central surface brightness and the effective radii of the hosts of the five galaxies are in between those of dwarf ellipticals (dEs) and dwarf irregulars (dIrrs), with two clearly more similar to dEs and one more similar to dIrrs. Among the five galaxies, 8257-3704 is particularly interesting, as it shows a previous starburst event that is not quite visible from its $gri$ image, but only visible from images of the stellar population at a few hundred million years. The star-forming clump associated with this event may have appeared at around 600 Myr and disappeared at around 40 Myr.

astro-ph.GA↗

arXiv2023

Be Selfish, But Wisely: Investigating the Impact of Agent Personality in Mixed-Motive Human-Agent Interactions

A natural way to design a negotiation dialogue system is via self-play RL: train an agent that learns to maximize its performance by interacting with a simulated user that has been designed to imitate human-human dialogue data. Although this procedure has been adopted in prior work, we find that it results in a fundamentally flawed system that fails to learn the value of compromise in a negotiation, which can often lead to no agreements (i.e., the partner walking away without a deal), ultimately hurting the model's overall performance. We investigate this observation in the context of the DealOrNoDeal task, a multi-issue negotiation over books, hats, and balls. Grounded in negotiation theory from Economics, we modify the training procedure in two novel ways to design agents with diverse personalities and analyze their performance with human partners. We find that although both techniques show promise, a selfish agent, which maximizes its own performance while also avoiding walkaways, performs superior to other variants by implicitly learning to generate value for both itself and the negotiation partner. We discuss the implications of our findings for what it means to be a successful negotiation dialogue system and how these systems should be designed in the future.

cs.CL↗

arXiv2023

Deep Insights into Noisy Pseudo Labeling on Graph Data

Pseudo labeling (PL) is a wide-applied strategy to enlarge the labeled dataset by self-annotating the potential samples during the training process. Several works have shown that it can improve the graph learning model performance in general. However, we notice that the incorrect labels can be fatal to the graph training process. Inappropriate PL may result in the performance degrading, especially on graph data where the noise can propagate. Surprisingly, the corresponding error is seldom theoretically analyzed in the literature. In this paper, we aim to give deep insights of PL on graph learning models. We first present the error analysis of PL strategy by showing that the error is bounded by the confidence of PL threshold and consistency of multi-view prediction. Then, we theoretically illustrate the effect of PL on convergence property. Based on the analysis, we propose a cautious pseudo labeling methodology in which we pseudo label the samples with highest confidence and multi-view consistency. Finally, extensive experiments demonstrate that the proposed strategy improves graph learning process and outperforms other PL strategies on link prediction and node classification tasks.

cs.LG↗

arXiv2023

Structure-Aware DropEdge Towards Deep Graph Convolutional Networks

It has been discovered that Graph Convolutional Networks (GCNs) encounter a remarkable drop in performance when multiple layers are piled up. The main factor that accounts for why deep GCNs fail lies in over-smoothing, which isolates the network output from the input with the increase of network depth, weakening expressivity and trainability. In this paper, we start by investigating refined measures upon DropEdge -- an existing simple yet effective technique to relieve over-smoothing. We term our method as DropEdge++ for its two structure-aware samplers in contrast to DropEdge: layer-dependent sampler and feature-dependent sampler. Regarding the layer-dependent sampler, we interestingly find that increasingly sampling edges from the bottom layer yields superior performance than the decreasing counterpart as well as DropEdge. We theoretically reveal this phenomenon with Mean-Edge-Number (MEN), a metric closely related to over-smoothing. For the feature-dependent sampler, we associate the edge sampling probability with the feature similarity of node pairs, and prove that it further correlates the convergence subspace of the output layer with the input features. Extensive experiments on several node classification benchmarks, including both full- and semi- supervised tasks, illustrate the efficacy of DropEdge++ and its compatibility with a variety of backbones by achieving generally better performance over DropEdge and the no-drop version.

cs.LG↗

arXiv2023

Vision Guided MIMO Radar Beamforming for Enhanced Vital Signs Detection in Crowds

Radar as a remote sensing technology has been used to analyze human activity for decades. Despite all the great features such as motion sensitivity, privacy preservation, penetrability, and more, radar has limited spatial degrees of freedom compared to optical sensors and thus makes it challenging to sense crowded environments without prior information. In this paper, we develop a novel dual-sensing system, in which a vision sensor is leveraged to guide digital beamforming in a multiple-input multiple-output (MIMO) radar. Also, we develop a calibration algorithm to align the two types of sensors and show that the calibrated dual system achieves about two centimeters precision in three-dimensional space within a field of view of $75^\circ$ by $65^\circ$ and for a range of two meters. Finally, we show that the proposed approach is capable of detecting the vital signs simultaneously for a group of closely spaced subjects, sitting and standing, in a cluttered environment, which highlights a promising direction for vital signs detection in realistic environments.

eess.SP↗

arXiv2023

Noise-robust Graph Learning by Estimating and Leveraging Pairwise Interactions

Teaching Graph Neural Networks (GNNs) to accurately classify nodes under severely noisy labels is an important problem in real-world graph learning applications, but is currently underexplored. Although pairwise training methods have demonstrated promise in supervised metric learning and unsupervised contrastive learning, they remain less studied on noisy graphs, where the structural pairwise interactions (PI) between nodes are abundant and thus might benefit label noise learning rather than the pointwise methods. This paper bridges the gap by proposing a pairwise framework for noisy node classification on graphs, which relies on the PI as a primary learning proxy in addition to the pointwise learning from the noisy node class labels. Our proposed framework PI-GNN contributes two novel components: (1) a confidence-aware PI estimation model that adaptively estimates the PI labels, which are defined as whether the two nodes share the same node labels, and (2) a decoupled training approach that leverages the estimated PI labels to regularize a node classification model for robust node classification. Extensive experiments on different datasets and GNN architectures demonstrate the effectiveness of PI-GNN, yielding a promising improvement over the state-of-the-art methods. Code is publicly available at https://github.com/TianBian95/pi-gnn.

cs.LG↗

arXiv2023

Decision Support System for Chronic Diseases Based on Drug-Drug Interactions

Many patients with chronic diseases resort to multiple medications to relieve various symptoms, which raises concerns about the safety of multiple medication use, as severe drug-drug antagonism can lead to serious adverse effects or even death. This paper presents a Decision Support System, called DSSDDI, based on drug-drug interactions to support doctors prescribing decisions. DSSDDI contains three modules, Drug-Drug Interaction (DDI) module, Medical Decision (MD) module and Medical Support (MS) module. The DDI module learns safer and more effective drug representations from the drug-drug interactions. To capture the potential causal relationship between DDI and medication use, the MD module considers the representations of patients and drugs as context, DDI and patients' similarity as treatment, and medication use as outcome to construct counterfactual links for the representation learning. Furthermore, the MS module provides drug candidates to doctors with explanations. Experiments on the chronic data collected from the Hong Kong Chronic Disease Study Project and a public diagnostic data MIMIC-III demonstrate that DSSDDI can be a reliable reference for doctors in terms of safety and efficiency of clinical diagnosis, with significant improvements compared to baseline methods.

cs.LG↗

arXiv2022

Human Mobility Modeling During the COVID-19 Pandemic via Deep Graph Diffusion Infomax

Non-Pharmaceutical Interventions (NPIs), such as social gathering restrictions, have shown effectiveness to slow the transmission of COVID-19 by reducing the contact of people. To support policy-makers, multiple studies have first modeled human mobility via macro indicators (e.g., average daily travel distance) and then studied the effectiveness of NPIs. In this work, we focus on mobility modeling and, from a micro perspective, aim to predict locations that will be visited by COVID-19 cases. Since NPIs generally cause economic and societal loss, such a micro perspective prediction benefits governments when they design and evaluate them. However, in real-world situations, strict privacy data protection regulations result in severe data sparsity problems (i.e., limited case and location information). To address these challenges, we formulate the micro perspective mobility modeling into computing the relevance score between a diffusion and a location, conditional on a geometric graph. we propose a model named Deep Graph Diffusion Infomax (DGDI), which jointly models variables including a geometric graph, a set of diffusions and a set of locations.To facilitate the research of COVID-19 prediction, we present two benchmarks that contain geometric graphs and location histories of COVID-19 cases. Extensive experiments on the two benchmarks show that DGDI significantly outperforms other competing methods.

cs.LG↗

arXiv2022

Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs

Pretraining molecular representation models without labels is fundamental to various applications. Conventional methods mainly process 2D molecular graphs and focus solely on 2D tasks, making their pretrained models incapable of characterizing 3D geometry and thus defective for downstream 3D tasks. In this work, we tackle 3D molecular pretraining in a complete and novel sense. In particular, we first propose to adopt an equivariant energy-based model as the backbone for pretraining, which enjoys the merits of fulfilling the symmetry of 3D space. Then we develop a node-level pretraining loss for force prediction, where we further exploit the Riemann-Gaussian distribution to ensure the loss to be E(3)-invariant, enabling more robustness. Moreover, a graph-level noise scale prediction task is also leveraged to further promote the eventual performance. We evaluate our model pretrained from a large-scale 3D dataset GEOM-QM9 on two challenging 3D benchmarks: MD17 and QM9. Experimental results demonstrate the efficacy of our method against current state-of-the-art pretraining approaches, and verify the validity of our design for each proposed component.

q-bio.QM↗

arXiv2022

Vertical Federated Linear Contextual Bandits

In this paper, we investigate a novel problem of building contextual bandits in the vertical federated setting, i.e., contextual information is vertically distributed over different departments. This problem remains largely unexplored in the research community. To this end, we carefully design a customized encryption scheme named orthogonal matrix-based mask mechanism(O3M) for encrypting local contextual information while avoiding expensive conventional cryptographic techniques. We further apply the mechanism to two commonly-used bandit algorithms, LinUCB and LinTS, and instantiate two practical protocols for online recommendation under the vertical federated setting. The proposed protocols can perfectly recover the service quality of centralized bandit algorithms while achieving a satisfactory runtime efficiency, which is theoretically proved and analyzed in this paper. By conducting extensive experiments on both synthetic and real-world datasets, we show the superiority of the proposed method in terms of privacy protection and recommendation performance.

cs.LG↗

arXiv2022

Equivariant Graph Hierarchy-Based Neural Networks

Equivariant Graph neural Networks (EGNs) are powerful in characterizing the dynamics of multi-body physical systems. Existing EGNs conduct flat message passing, which, yet, is unable to capture the spatial/dynamical hierarchy for complex systems particularly, limiting substructure discovery and global information fusion. In this paper, we propose Equivariant Hierarchy-based Graph Networks (EGHNs) which consist of the three key components: generalized Equivariant Matrix Message Passing (EMMP) , E-Pool and E-UpPool. In particular, EMMP is able to improve the expressivity of conventional equivariant message passing, E-Pool assigns the quantities of the low-level nodes into high-level clusters, while E-UpPool leverages the high-level information to update the dynamics of the low-level nodes. As their names imply, both E-Pool and E-UpPool are guaranteed to be equivariant to meet physic symmetry. Considerable experimental evaluations verify the effectiveness of our EGHN on several applications including multi-object dynamics simulation, motion capture, and protein dynamics modeling.

cs.LG↗

arXiv2022

MaNGA 8313-1901: gas accretion observed in a blue compact dwarf galaxy?

Gas accretion is an important process in the evolution of galaxies, but it has limited direct observational evidences. In this paper, we report the detection of a possible ongoing gas accretion event in a Blue Compact Dwarf (BCD) galaxy, MaNGA 8313-1901, observed by the Mapping Nearby Galaxies and Apache Point Observatory (MaNGA) program. This galaxy has a distinct off-centered blue clump to the northeast (the NE clump) that shows low metallicity and enhanced star-formation. The kinematics of the gas in the NE clump also seems to be detached from the host BCD galaxy. Together with the metallicity drop of the NE clump, it suggests that the NE clump likely has an external origin, such as the gas accretion or galaxy interaction, rather than an internal origin, such as an \hii~complex in the disk. After removing the underlying host component, we find that the spectrum of the "pure" clump can match very well with a modeled spectrum containing a stellar population of the young stars ($\le 7$ Myr) only. This may imply that the galaxy is experiencing an accretion of cold gas, instead of a merger event involving galaxies with significant pre-existing old stars. We also find signs of another clump (the SW clump) at the south-west corner of the host galaxy, and the two clumps may share the same origin of gas accretion.

astro-ph.GA↗