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Duo Xu

Duo Xu contributes to research discovery and scholarly infrastructure.

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Published work

14 published item(s)

preprint2026arXiv

Scale-Aware Adversarial Analysis: A Diagnostic for Generative AI in Multiscale Complex Systems

Complex physical systems, from supersonic turbulence to the macroscopic structure of the universe, are governed by continuous multiscale dynamics. While modern machine learning architectures excel at mapping the high-dimensional observables of these systems, it remains unclear whether they internalize the governing physical laws or merely interpolate discrete statistical correlations. Standard Explainable AI (XAI) architectures, particularly perturbation-based and gradient-saliency methods, rely on pixel-wise perturbations, which generate unphysical artifacts and push inputs off the valid empirical distribution. To resolve this, we introduce a diagnostic framework driven by Constrained Diffusion Decomposition (CDD), a diffusion-based multiscale data decomposition algorithm that enables physically constrained data generation and model evaluation via scale-aware modifications. Applying this framework to a Denoising Diffusion Probabilistic Model (DDPM), we execute deterministic interventions directly within the continuous, CDD-based scale space. We demonstrate that under moderate physical perturbations, the unconstrained generative model exhibits localized structural freezing and non-linear instability rather than continuous PDE-like responses. The network fails to maintain cross-scale continuity, causing the generative trajectory to diverge when pushed into unseen physical states. By synthesizing a continuum of physically coherent states, this scale-informed methodology establishes a controlled test ground to evaluate algorithmic vulnerabilities, providing the rigorous physical constraints necessary for future architectures to respect the multiscale causality of the natural universe.

preprint2025arXiv

Reinforcement Learning-Augmented LLM Agents for Collaborative Decision Making and Performance Optimization

Large Language Models (LLMs) perform well in language tasks but often lack collaborative awareness and struggle to optimize global performance in multi-agent settings. We present a reinforcement learning-augmented LLM agent framework that formulates cooperation as a decentralized partially observable Markov decision process (Dec-POMDP) and adopts centralized training with decentralized execution (CTDE). We introduce Group Relative Policy Optimization (GRPO) to jointly optimize agent policies with access to global signals during training, together with a simplified joint reward that balances task quality, speed, and coordination cost. On collaborative writing and coding benchmarks, our framework delivers a 3x increase in task processing speed over single-agent baselines, 98.7% structural/style consistency in writing, and a 74.6% test pass rate in coding. The approach consistently outperforms strong multi-agent LLM baselines and provides a practical path toward reliable collaboration in complex workflows.

preprint2024arXiv

MusicAOG: an Energy-Based Model for Learning and Sampling a Hierarchical Representation of Symbolic Music

In addressing the challenge of interpretability and generalizability of artificial music intelligence, this paper introduces a novel symbolic representation that amalgamates both explicit and implicit musical information across diverse traditions and granularities. Utilizing a hierarchical and-or graph representation, the model employs nodes and edges to encapsulate a broad spectrum of musical elements, including structures, textures, rhythms, and harmonies. This hierarchical approach expands the representability across various scales of music. This representation serves as the foundation for an energy-based model, uniquely tailored to learn musical concepts through a flexible algorithm framework relying on the minimax entropy principle. Utilizing an adapted Metropolis-Hastings sampling technique, the model enables fine-grained control over music generation. A comprehensive empirical evaluation, contrasting this novel approach with existing methodologies, manifests considerable advancements in interpretability and controllability. This study marks a substantial contribution to the fields of music analysis, composition, and computational musicology.

preprint2023arXiv

An Order-Complexity Model for Aesthetic Quality Assessment of Symbolic Homophony Music Scores

Computational aesthetics evaluation has made great achievements in the field of visual arts, but the research work on music still needs to be explored. Although the existing work of music generation is very substantial, the quality of music score generated by AI is relatively poor compared with that created by human composers. The music scores created by AI are usually monotonous and devoid of emotion. Based on Birkhoff's aesthetic measure, this paper proposes an objective quantitative evaluation method for homophony music score aesthetic quality assessment. The main contributions of our work are as follows: first, we put forward a homophony music score aesthetic model to objectively evaluate the quality of music score as a baseline model; second, we put forward eight basic music features and four music aesthetic features.

preprint2022arXiv

A Framework for Following Temporal Logic Instructions with Unknown Causal Dependencies

Teaching a deep reinforcement learning (RL) agent to follow instructions in multi-task environments is a challenging problem. We consider that user defines every task by a linear temporal logic (LTL) formula. However, some causal dependencies in complex environments may be unknown to the user in advance. Hence, when human user is specifying instructions, the robot cannot solve the tasks by simply following the given instructions. In this work, we propose a hierarchical reinforcement learning (HRL) framework in which a symbolic transition model is learned to efficiently produce high-level plans that can guide the agent efficiently solve different tasks. Specifically, the symbolic transition model is learned by inductive logic programming (ILP) to capture logic rules of state transitions. By planning over the product of the symbolic transition model and the automaton derived from the LTL formula, the agent can resolve causal dependencies and break a causally complex problem down into a sequence of simpler low-level sub-tasks. We evaluate the proposed framework on three environments in both discrete and continuous domains, showing advantages over previous representative methods.

preprint2022arXiv

Hydrogenation induced magnetic and electronic transitions in monolayer electride Gd$_2$C: A first-principles study

The recently synthesized two-dimensional electride Gd$_2$C was proposed to be a ferromagnetic metal that possesses multiple pairs of Weyl points and may display a large anomalous Hall conductivity [Liu \textit{et al.}, Phys. Rev. Lett. \textbf{125}, 187203 (2020)]. In view of its layered structure, here we carry out first-principles studies on the magnetic and electronic properties of Gd$_2$C in the ultrathin monolayer limit. We find that monolayer Gd$_2$C remains ferromagnetic like the bulk form and the hydrogenation can effectively tune its magnetism and electronic structure. With one-sided coverage of hydrogen atoms, monolayer Gd$_2$C becomes a half-metal with one spin channel around the Fermi level. For two-sided hydrogenation, monolayer Gd$_2$C transforms to an antiferromagnetic insulator with a band gap of 0.8 eV. Our studies show that monolayer electride Gd$_2$C can perform multiple magnetic and electronic transitions with different levels of hydrogenation and may be also adopted to construct a planar heterojunction with selective area adsorption of hydrogen atoms, which has promising applications in future electronic and spintronic devices.

preprint2022arXiv

Improving Actor-Critic Reinforcement Learning via Hamiltonian Monte Carlo Method

The actor-critic RL is widely used in various robotic control tasks. By viewing the actor-critic RL from the perspective of variational inference (VI), the policy network is trained to obtain the approximate posterior of actions given the optimality criteria. However, in practice, the actor-critic RL may yield suboptimal policy estimates due to the amortization gap and insufficient exploration. In this work, inspired by the previous use of Hamiltonian Monte Carlo (HMC) in VI, we propose to integrate the policy network of actor-critic RL with HMC, which is termed as {\it Hamiltonian Policy}. As such we propose to evolve actions from the base policy according to HMC, and our proposed method has many benefits. First, HMC can improve the policy distribution to better approximate the posterior and hence reduce the amortization gap. Second, HMC can also guide the exploration more to the regions of action spaces with higher Q values, enhancing the exploration efficiency. Further, instead of directly applying HMC into RL, we propose a new leapfrog operator to simulate the Hamiltonian dynamics. Finally, in safe RL problems, we find that the proposed method can not only improve the achieved return, but also reduce safety constraint violations by discarding potentially unsafe actions. With comprehensive empirical experiments on continuous control baselines, including MuJoCo and PyBullet Roboschool, we show that the proposed approach is a data-efficient and easy-to-implement improvement over previous actor-critic methods.

preprint2022arXiv

On the Steady-State Behavior of Finite-Control-Set MPC with an Application to High-Precision Power Amplifiers

Motivated by increasing precision requirements for switched power amplifiers, this paper addresses the problem of model predictive control (MPC) design for discrete-time linear systems with a finite control set (FCS). Typically, existing solutions for FCS-MPC penalize the output tracking error and the control input rate of change, which can lead to arbitrary switching among the available discrete control inputs and unpredictable steady-state behavior. To improve the steady-state behavior of FCS-MPC, in this paper we design a cost function that penalizes the tracking error with respect to a state and input steady-state limit cycle. We prove that if a suitable terminal cost is added to the FCS-MPC algorithm convergence to the limit cycle is ensured. The developed methodology is validated in direct switching control of a power amplifier for high-precision motion systems, where it significantly improves the steady-state output current ripple.

preprint2021arXiv

A Census of Protostellar Outflows in Nearby Molecular Clouds

We adopt the deep learning method CASI-3D (Convolutional Approach to Structure Identification-3D) to systemically identify protostellar outflows in 12CO and 13CO observations of the nearby molecular clouds, Ophiuchus, Taurus, Perseus and Orion. The total outflow masses are 267 Msun, 795 Msun, 1305 Msun and 6332 Msun for Ophiuchus, Taurus, Perseus and Orion, respectively. We show the outflow mass in each cloud is linearly proportional to the total number of young stellar objects. The estimated total 3D deprojected outflow energies are 9e45 ergs, 6e46 ergs, 1.2e47 ergs and 6e47 ergs for Ophiuchus, Taurus, Perseus and Orion, respectively. The energy associated with outflows is sufficient to offset turbulent dissipation at the current epoch for all four clouds. All clouds also exhibit a break point in the spatial power spectrum of the outflow prediction map, which likely corresponds to the typical outflow mass and energy injection scale.

preprint2021arXiv

Propagation speed of turbulent fronts in pipe flow at high Reynolds numbers

We investigated the propagation of turbulent fronts in pipe flow at high Reynolds numbers by direct numerical simulation. We used a technique combining a moving frame of reference and an artificial damping to isolate the fronts in short periodic pipes, which enables us to explore the bulk Reynolds number up to Re = $10^5$ with affordable computation power. We measured the propagation speed of the downstream front and observed that a fit of $1.971-(Re/1925)^{-0.825}$ (in unit of bulk speed) well captures this speed above $Re\simeq 5000$. The speed increases monotonically as Re increases, in stark contrast to the decreasing trend above $Re\simeq 10000$ reported by Wygnanski & Champagne (1973). The speed of the upstream front overall agrees with the former studies and $0.024 + (Re/1936)^{-0.528}$ well fits our data and those from the literature. Based on our analysis of the front dynamics, we proposed that both front speeds would keep their respective monotonic trends as the Reynolds number increases further. We show that, at high Reynolds numbers, the local transition at the upstream front tip is via high-azimuthal-wavenumber structures in the high-shear region near the pipe wall, whereas at the downstream front tip is via low-azimuthal-wavenumber structures in the low-shear region near the pipe center. This difference is possibly responsible for the asymmetric speed scalings between the upstream and downstream fronts.

preprint2021arXiv

Resonances in pulsatile channel flow with an elastic wall

Interactions between fluids and elastic solids are ubiquitous in application ranging from aeronautical and civil engineering to physiological flows. Here we study the pulsatile flow through a two-dimensional Starling resistor as a simple model for unsteady flow in elastic vessels. We numerically solve the equations governing the flow and the large-displacement elasticity and show that the system responds as a forced harmonic oscillator with non-conventional damping. We derive an analytical prediction for the amplitude of the oscillatory wall deformation, and thus the conditions under which resonances occur or vanish.

preprint2020arXiv

Application of Convolutional Neural Networks to Identify Protostellar Outflows in CO Emission

We adopt the deep learning method CASI-3D (Convolutional Approach to Structure Identification-3D) to identify protostellar outflows in molecular line spectra. We conduct magneto-hydrodynamics simulations that model forming stars that launch protostellar outflows and use these to generate synthetic observations. We apply the 3D radiation transfer code RADMC-3D to model 12CO (J=1-0) line emission from the simulated clouds. We train two CASI-3D models: ME1 is trained to predict only the position of outflows, while MF is trained to predict the fraction of the mass coming from outflows in each voxel. The two models successfully identify all 60 previously visually identified outflows in Perseus. Additionally, CASI-3D finds 20 new high-confidence outflows. All of these have coherent high-velocity structures, and 17 of them have nearby young stellar objects, while the remaining three are outside the Spitzer survey coverage. The mass, momentum and energy of individual outflows in Perseus predicted by model MF is comparable to the previous estimations. This similarity is due to a cancelation in errors: previous calculations missed outflow material with velocities comparable to the cloud velocity, however, they compensate for this by over-estimating the amount of mass at higher velocities that has contamination from non-outflow gas. We show outflows likely driven by older sources have more high-velocity gas compared to those driven by younger sources.

preprint2020arXiv

Application of Convolutional Neural Networks to Identify Stellar Feedback Bubbles in CO Emission

We adopt the deep learning method CASI (Convolutional Approach to Shell Identification) and extend it to 3D (CASI-3D) to identify signatures of stellar feedback in molecular line spectra, such as 13CO. We adopt magneto-hydrodynamics simulations that study the impact of stellar winds in a turbulent molecular cloud as an input to generate synthetic observations. We apply the 3D radiation transfer code radmc-3d to model 13CO (J=1-0) line emission from the simulated clouds. We train two CASI-3d models: ME1 predicts only the position of feedback, while MF predicts the fraction of the mass coming from feedback in each voxel. We adopt 75% of the synthetic observations as the training set and assess the accuracy of the two models with the remaining data. We demonstrate that model ME1 identifies bubbles in simulated data with 95% accuracy, and model MF predicts the bubble mass within 4% of the true value. We use bubbles previously visually identified in Taurus in 13CO to validate the models and show both perform well on the highest confidence bubbles. We apply our two models on the full 98 deg2 FCRAO 13CO survey of the Taurus cloud. Models ME1 and MF predict feedback gas mass of 2894 M and 302 M, respectively. When including a correction factor for missing energy due to the limited velocity range of the 13CO data cube, model ME1 predicts feedback kinetic energies of 4.0*1e46 ergs and 1.5*1e47 ergs with/without subtracting the cloud velocity gradient. Model MF predicts feedback kinetic energy of 9.6*1e45 ergs and 2.8*1e46 ergs with/without subtracting the cloud velocity gradient. Model ME1 predicts bubble locations and properties consistent with previous visually identified bubbles. However, model MF demonstrates that feedback properties computed based on visual identifications are significantly overestimated due to line of sight confusion and contamination from background and foreground gas.

preprint2020arXiv

Nonlinear hydrodynamic instability and turbulence in pulsatile flow

Pulsating flows through tubular geometries are laminar provided that velocities are moderate. This in particular is also believed to apply to cardiovascular flows where inertial forces are typically too low to sustain turbulence. On the other hand flow instabilities and fluctuating shear stresses are held responsible for a variety of cardiovascular diseases. Here we report a nonlinear instability mechanism for pulsating pipe flow that gives rise to bursts of turbulence at low flow rates. Geometrical distortions of small, yet finite amplitude are found to excite a state consisting of helical vortices during flow deceleration. The resulting flow pattern grows rapidly in magnitude, breaks down into turbulence, and eventually returns to laminar when the flow accelerates. This scenario causes shear stress fluctuations and flow reversal during each pulsation cycle. Such unsteady conditions can adversely affect blood vessels and have been shown to promote inflammation and dysfunction of the shear stress sensitive endothelial cell layer.