Yue Yu

Zicong Hong, Xiaoyu Qiu, Jian Lin et al.

Massive emerging applications are driving demand for the ubiquitous deployment of computing power today. This trend not only spurs the recent popularity of the \emph{Computing and Network Convergence} (CNC), but also introduces an urgent need for the intelligentization of a management platform to coordinate changing resources and tasks in the CNC. Therefore, in this article, we present the concept of an intelligence-endogenous management platform for CNCs called \emph{CNC brain} based on artificial intelligence technologies. It aims at efficiently and automatically matching the supply and demand with high heterogeneity in a CNC via four key building blocks, i.e., perception, scheduling, adaptation, and governance, throughout the CNC's life cycle. Their functionalities, goals, and challenges are presented. To examine the effectiveness of the proposed concept and framework, we also implement a prototype for the CNC brain based on a deep reinforcement learning technology. Also, it is evaluated on a CNC testbed that integrates two open-source and popular frameworks (OpenFaas and Kubernetes) and a real-world business dataset provided by Microsoft Azure. The evaluation results prove the proposed method's effectiveness in terms of resource utilization and performance. Finally, we highlight the future research directions of the CNC brain.

Nathaniel Trask, Huaiqian You, Yue Yu et al.

We present a meshfree quadrature rule for compactly supported non-local integro-differential equations (IDEs) with radial kernels. We apply this rule to develop a strong-form meshfree discretization of a peridynamic solid mechanics model that requires no background mesh. Existing discretizations of peridynamic models have been shown to exhibit a lack of asymptotic compatibility to the corresponding linearly elastic local solution. By posing the quadrature rule as an equality constrained least squares problem, we obtain asymptotically compatible convergence via reproducability constraints. Our approach naturally handles traction-free conditions, surface effects, and damage modeling for both static and dynamic problems. We demonstrate high-order convergence to the local theory by comparing to manufactured solutions and to cases with crack singularities for which an analytic solution is available. Finally, we verify the applicability of the approach to realistic problems by reproducing high-velocity impact results from the Kalthoff-Winkler experiments.

Huaiqian You, Xiao Xu, Yue Yu et al.

Molecular dynamics (MD) has served as a powerful tool for designing materials with reduced reliance on laboratory testing. However, the use of MD directly to treat the deformation and failure of materials at the mesoscale is still largely beyond reach. Herein, we propose a learning framework to extract a peridynamic model as a mesoscale continuum surrogate from MD simulated material fracture datasets. Firstly, we develop a novel coarse-graining method, to automatically handle the material fracture and its corresponding discontinuities in MD displacement dataset. Inspired by the Weighted Essentially Non-Oscillatory scheme, the key idea lies at an adaptive procedure to automatically choose the locally smoothest stencil, then reconstruct the coarse-grained material displacement field as piecewise smooth solutions containing discontinuities. Then, based on the coarse-grained MD data, a two-phase optimization-based learning approach is proposed to infer the optimal peridynamics model with damage criterion. In the first phase, we identify the optimal nonlocal kernel function from datasets without material damage, to capture the material stiffness properties. Then, in the second phase, the material damage criterion is learnt as a smoothed step function from the data with fractures. As a result, a peridynamics surrogate is obtained. Our peridynamics surrogate model can be employed in further prediction tasks with different grid resolutions from training, and hence allows for substantial reductions in computational cost compared with MD. We illustrate the efficacy of the proposed approach with several numerical tests for single layer graphene. Our tests show that the proposed data-driven model is robust and generalizable: it is capable in modeling the initialization and growth of fractures under discretization and loading settings that are different from the ones used during training.

Jaehan Im, Yue Yu, David Fridovich-Keil et al.

Coordination in multiplayer games enables players to avoid the lose-lose outcome that often arises at Nash equilibria. However, designing a coordination mechanism typically requires the consideration of the joint actions of all players, which becomes intractable in large-scale games. We develop a novel coordination mechanism, termed reduced rank correlated equilibria, which reduces the number of joint actions to be considered and thereby mitigates computational complexity. The idea is to approximate the set of all joint actions with the actions used in a set of pre-computed Nash equilibria via a convex hull operation. In a game with n players and each player having m actions, the proposed mechanism reduces the number of joint actions considered from O(m^n) to O(mn). We demonstrate the application of the proposed mechanism to an air traffic queue management problem. Compared with the correlated equilibrium-a popular benchmark coordination mechanism-the proposed approach is capable of solving a problem involving four thousand times more joint actions while yielding similar or better performance in terms of a fairness indicator and showing a maximum optimality gap of 0.066% in terms of the average delay cost. In the meantime, it yields a solution that shows up to 99.5% improvement in a fairness indicator and up to 50.4% reduction in average delay cost compared to the Nash solution, which does not involve coordination.

William Ward, Yue Yu, Jacob Levy et al.

Game-theoretic inverse learning is the problem of inferring a player's objectives from their actions. We formulate an inverse learning problem in a Stackelberg game between a leader and a follower, where each player's action is the trajectory of a dynamical system. We propose an active inverse learning method for the leader to infer which hypothesis among a finite set of candidates best describes the follower's objective function. Instead of using passively observed trajectories like existing methods, we actively maximize the differences in the follower's trajectories under different hypotheses by optimizing the leader's control inputs. Compared with uniformly random inputs, the optimized inputs accelerate the convergence of the estimated probability of different hypotheses conditioned on the follower's trajectory. We demonstrate the proposed method in a receding-horizon repeated trajectory game and simulate the results using virtual TurtleBots in Gazebo.

Fei Lu, Qingci An, Yue Yu

Nonlocal operators with integral kernels have become a popular tool for designing solution maps between function spaces, due to their efficiency in representing long-range dependence and the attractive feature of being resolution-invariant. In this work, we provide a rigorous identifiability analysis and convergence study for the learning of kernels in nonlocal operators. It is found that the kernel learning is an ill-posed or even ill-defined inverse problem, leading to divergent estimators in the presence of modeling errors or measurement noises. To resolve this issue, we propose a nonparametric regression algorithm with a novel data adaptive RKHS Tikhonov regularization method based on the function space of identifiability. The method yields a noisy-robust convergent estimator of the kernel as the data resolution refines, on both synthetic and real-world datasets. In particular, the method successfully learns a homogenized model for the stress wave propagation in a heterogeneous solid, revealing the unknown governing laws from real-world data at microscale. Our regularization method outperforms baseline methods in robustness, generalizability and accuracy.

Shiyu Liu, Shaogao Lv, Dun Zeng et al.

Federated learning is a decentralized and privacy-preserving technique that enables multiple clients to collaborate with a server to learn a global model without exposing their private data. However, the presence of statistical heterogeneity among clients poses a challenge, as the global model may struggle to perform well on each client's specific task. To address this issue, we introduce a new perspective on personalized federated learning through Amortized Bayesian Meta-Learning. Specifically, we propose a novel algorithm called \emph{FedABML}, which employs hierarchical variational inference across clients. The global prior aims to capture representations of common intrinsic structures from heterogeneous clients, which can then be transferred to their respective tasks and aid in the generation of accurate client-specific approximate posteriors through a few local updates. Our theoretical analysis provides an upper bound on the average generalization error and guarantees the generalization performance on unseen data. Finally, several empirical results are implemented to demonstrate that \emph{FedABML} outperforms several competitive baselines.

Jiayu Wang, Yang Jiao, Yue Yu et al.

Recent breakthroughs in large multimodal models (LMMs), such as the impressive GPT-4o-Native, have demonstrated remarkable proficiency in following general-purpose instructions for image generation. However, current benchmarks often lack the necessary breadth and depth to fully evaluate the diverse capabilities of these models. To overcome this limitation, we introduce OmniGenBench, a novel and comprehensive benchmark meticulously designed to assess the instruction-following abilities of state-of-the-art LMMs across both perception-centric and cognition-centric dimensions. Our OmniGenBench includes 57 diverse sub-tasks grounded in real-world scenarios, systematically categorized according to the specific model capabilities they demand. For rigorous evaluation, we further employ a dual-mode protocol. This protocol utilizes off-the-shelf visual parsing tools for perception-centric tasks and a powerful LLM-based judger for cognition-centric tasks to assess the alignment between generated images and user instructions. Using OmniGenBench, we evaluate mainstream generative models, including prevalent models like GPT-4o, Gemini-2.0-Flash, and Seedream, and provide in-depth comparisons and analyses of their performance.Code and data are available at https://github.com/emilia113/OmniGenBench.

Ting Bai, Yue Yu, Le Huang et al.

The sparse Mixture-of-Experts (MoE) architecture of large language models (LLMs) confronts an inherent issue of load imbalance arising from the simplistic linear router strategy, which ultimately causes the instability and inefficient learning of LLMs. To address this challenge, we introduce a novel MoE graph-based framework $\textbf{GMoE}$, aimed at enhancing the collaboration among multiple experts. In GMoE, a graph router function is designed to capture the collaboration signals among experts. This enables all experts to dynamically allocate information derived from input data by sharing information with their neighboring experts. Moreover, we put forward two coordination strategies in GMoE: the $\textit{Poisson distribution-based distinction strategy}$ and the $\textit{Normal distribution-based balance strategy}$, to further release the capacity of each expert and increase the model stability in the fine-tuning of LLMs. Specifically, we leverage a parameter-efficient fine-tuning technique, i.e., Low-Rank Adaptation (LoRA), to implement the graph MoE architecture. Extensive experiments on four real-world benchmark datasets demonstrate the effectiveness of GMoE, showing the benefits of facilitating collaborations of multiple experts in LLM fine-tuning. The code of experimental implementation is available at https://github.com/BAI-LAB/GMoE

Yuhua Jiang, Yuwen Xiong, Yufeng Yuan et al.

Large Language Models (LLMs) have demonstrated impressive capabilities in complex reasoning tasks, yet they still struggle to reliably verify the correctness of their own outputs. Existing solutions to this verification challenge often depend on separate verifier models or require multi-stage self-correction training pipelines, which limit scalability. In this paper, we propose Policy as Generative Verifier (PAG), a simple and effective framework that empowers LLMs to self-correct by alternating between policy and verifier roles within a unified multi-turn reinforcement learning (RL) paradigm. Distinct from prior approaches that always generate a second attempt regardless of model confidence, PAG introduces a selective revision mechanism: the model revises its answer only when its own generative verification step detects an error. This verify-then-revise workflow not only alleviates model collapse but also jointly enhances both reasoning and verification abilities. Extensive experiments across diverse reasoning benchmarks highlight PAG's dual advancements: as a policy, it enhances direct generation and self-correction accuracy; as a verifier, its self-verification outperforms self-consistency.

Xinghan Li, Yue Yu, Xue Song et al.

With the rapid advancement of vision generation models, the potential security risks stemming from synthetic visual content have garnered increasing attention, posing significant challenges for AI-generated image detection. Existing methods suffer from inadequate generalization capabilities, resulting in unsatisfactory performance on emerging generative models. To address this issue, this paper presents NIRNet (Noise-based Imprint Revealing Network), a novel framework that leverages noise-based imprint for the detection task. Specifically, we propose a novel Noise-based Imprint Simulator to capture intrinsic patterns imprinted in images generated by different models. By aggregating imprint from various generative models, imprint of future models can be extrapolated to expand training data, thereby enhancing generalization and robustness. Furthermore, we design a new pipeline that pioneers the use of noise patterns, derived from a Noise-based Imprint Extractor, alongside other visual features for AI-generated image detection, significantly improving detection performance. Our approach achieves state-of-the-art performance across seven diverse benchmarks, including five public datasets and two newly proposed generalization tests, demonstrating its superior generalization and effectiveness. Paper Submission: pdf

Hanyang Peng, Shuang Qin, Yue Yu et al.

Adam is widely recognized as one of the most effective optimizers for training deep neural networks (DNNs). Despite its remarkable empirical success, its theoretical convergence analysis remains unsatisfactory. Existing works predominantly interpret Adam as a preconditioned stochastic gradient descent with momentum (SGDM), formulated as $\bm{x}_{t+1} = \bm{x}_t - \frac{γ_t}{{\sqrt{\bm{v}_t}+ε}} \circ \bm{m}_t$. This perspective necessitates strong assumptions and intricate techniques, resulting in lengthy and opaque convergence proofs that are difficult to verify and extend. In contrast, we propose a novel interpretation by treating Adam as a sign-like optimizer, expressed as $\bm{x}_{t+1} = \bm{x}_t - γ_t \frac{|\bm{m}_t|}{{\sqrt{\bm{v}_t}+ε}} \circ {\rm Sign}(\bm{m}_t)$. This reformulation significantly simplifies the convergence analysis. For the first time, with some mild conditions, we prove that Adam achieves the optimal rate of ${\cal O}(\frac{1}{T^{\sfrac{1}{4}}})$ rather than the previous ${\cal O} \left(\frac{\ln T}{T^{\sfrac{1}{4}}}\right)$ under weak assumptions of the generalized $p$-affine variance and $(L_0, L_1, q)$-smoothness, without dependence on the model dimensionality or the numerical stability parameter $ε$. Additionally, our theoretical analysis provides new insights into the role of momentum as a key factor ensuring convergence and offers practical guidelines for tuning learning rates in Adam, further bridging the gap between theory and practice.

Philip Charles, Deep Ray, Yue Yu et al.

The optimal Petrov-Galerkin formulation to solve partial differential equations (PDEs) recovers the best approximation in a specified finite-dimensional (trial) space with respect to a suitable norm. However, the recovery of this optimal solution is contingent on being able to construct the optimal weighting functions associated with the trial basis. While explicit constructions are available for simple one- and two-dimensional problems, such constructions for a general multidimensional problem remain elusive. In the present work, we revisit the optimal Petrov-Galerkin formulation through the lens of deep learning. We propose an operator network framework called Petrov-Galerkin Variationally Mimetic Operator Network (PG-VarMiON), which emulates the optimal Petrov-Galerkin weak form of the underlying PDE. The PG-VarMiON is trained in a supervised manner using a labeled dataset comprising the PDE data and the corresponding PDE solution, with the training loss depending on the choice of the optimal norm. The special architecture of the PG-VarMiON allows it to implicitly learn the optimal weighting functions, thus endowing the proposed operator network with the ability to generalize well beyond the training set. We derive approximation error estimates for PG-VarMiON, highlighting the contributions of various error sources, particularly the error in learning the true weighting functions. Several numerical results are presented for the advection-diffusion equation to demonstrate the efficacy of the proposed method. By embedding the Petrov-Galerkin structure into the network architecture, PG-VarMiON exhibits greater robustness and improved generalization compared to other popular deep operator frameworks, particularly when the training data is limited.

Minglang Yin, Enrui Zhang, Yue Yu et al.

Multiscale modeling is an effective approach for investigating multiphysics systems with largely disparate size features, where models with different resolutions or heterogeneous descriptions are coupled together for predicting the system's response. The solver with lower fidelity (coarse) is responsible for simulating domains with homogeneous features, whereas the expensive high-fidelity (fine) model describes microscopic features with refined discretization, often making the overall cost prohibitively high, especially for time-dependent problems. In this work, we explore the idea of multiscale modeling with machine learning and employ DeepONet, a neural operator, as an efficient surrogate of the expensive solver. DeepONet is trained offline using data acquired from the fine solver for learning the underlying and possibly unknown fine-scale dynamics. It is then coupled with standard PDE solvers for predicting the multiscale systems with new boundary/initial conditions in the coupling stage. The proposed framework significantly reduces the computational cost of multiscale simulations since the DeepONet inference cost is negligible, facilitating readily the incorporation of a plurality of interface conditions and coupling schemes. We present various benchmarks to assess accuracy and speedup, and in particular we develop a coupling algorithm for a time-dependent problem, and we also demonstrate coupling of a continuum model (finite element methods, FEM) with a neural operator representation of a particle system (Smoothed Particle Hydrodynamics, SPH) for a uniaxial tension problem with hyperelastic material. What makes this approach unique is that a well-trained over-parametrized DeepONet can generalize well and make predictions at a negligible cost.

Yue Yu, Tian Gao, Naiyu Yin et al.

Recently directed acyclic graph (DAG) structure learning is formulated as a constrained continuous optimization problem with continuous acyclicity constraints and was solved iteratively through subproblem optimization. To further improve efficiency, we propose a novel learning framework to model and learn the weighted adjacency matrices in the DAG space directly. Specifically, we first show that the set of weighted adjacency matrices of DAGs are equivalent to the set of weighted gradients of graph potential functions, and one may perform structure learning by searching in this equivalent set of DAGs. To instantiate this idea, we propose a new algorithm, DAG-NoCurl, which solves the optimization problem efficiently with a two-step procedure: 1) first we find an initial cyclic solution to the optimization problem, and 2) then we employ the Hodge decomposition of graphs and learn an acyclic graph by projecting the cyclic graph to the gradient of a potential function. Experimental studies on benchmark datasets demonstrate that our method provides comparable accuracy but better efficiency than baseline DAG structure learning methods on both linear and generalized structural equation models, often by more than one order of magnitude.

Huaiqian You, Yue Yu, Stewart Silling et al.

We show that machine learning can improve the accuracy of simulations of stress waves in one-dimensional composite materials. We propose a data-driven technique to learn nonlocal constitutive laws for stress wave propagation models. The method is an optimization-based technique in which the nonlocal kernel function is approximated via Bernstein polynomials. The kernel, including both its functional form and parameters, is derived so that when used in a nonlocal solver, it generates solutions that closely match high-fidelity data. The optimal kernel therefore acts as a homogenized nonlocal continuum model that accurately reproduces wave motion in a smaller-scale, more detailed model that can include multiple materials. We apply this technique to wave propagation within a heterogeneous bar with a periodic microstructure. Several one-dimensional numerical tests illustrate the accuracy of our algorithm. The optimal kernel is demonstrated to reproduce high-fidelity data for a composite material in applications that are substantially different from the problems used as training data.

Huaiqian You, Yue Yu, Nathaniel Trask et al.

A key challenge to nonlocal models is the analytical complexity of deriving them from first principles, and frequently their use is justified a posteriori. In this work we extract nonlocal models from data, circumventing these challenges and providing data-driven justification for the resulting model form. Extracting provably robust data-driven surrogates is a major challenge for machine learning (ML) approaches, due to nonlinearities and lack of convexity. Our scheme allows extraction of provably invertible nonlocal models whose kernels may be partially negative. To achieve this, based on established nonlocal theory, we embed in our algorithm sufficient conditions on the non-positive part of the kernel that guarantee well-posedness of the learnt operator. These conditions are imposed as inequality constraints and ensure that models are robust, even in small-data regimes. We demonstrate this workflow for a range of applications, including reproduction of manufactured nonlocal kernels; numerical homogenization of Darcy flow associated with a heterogeneous periodic microstructure; nonlocal approximation to high-order local transport phenomena; and approximation of globally supported fractional diffusion operators by truncated kernels.

Chris H. Rycroft, Chen-Hung Wu, Yue Yu et al.

We present a general simulation approach for fluid-solid interactions based on the fully-Eulerian Reference Map Technique (RMT). The approach permits the modeling of one or more finitely-deformable continuum solid bodies interacting with a fluid and with each other. A key advantage of this approach is its ease of use, as the solid and fluid are discretized on the same fixed grid, which greatly simplifies the coupling between the phases. We use the method to study a number of illustrative examples involving an incompressible Navier-Stokes fluid interacting with multiple neo-Hookean solids. Our method has several useful features including the ability to model solids with sharp corners and the ability to model actuated solids. The latter permits the simulation of active media such as swimmers, which we demonstrate. The method is validated favorably in the flag-flapping geometry, for which a number of experimental, numerical, and analytical studies have been performed. We extend the flapping analysis beyond the thin-flag limit, revealing an additional destabilization mechanism to induce flapping.