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Xuan Zhang

Publications and source records attributed to Xuan Zhang.

At least 73 records · Page 4Linked to original sources

ZeroSim: Zero-Shot Analog Circuit Evaluation with Unified Transformer Embeddings

Although recent advancements in learning-based analog circuit design automation have tackled tasks such as topology generation, device sizing, and layout synthesis, efficient performance evaluation remains a major bottleneck. Traditional SPICE simulations are time-consuming, while existing machine learning methods often require topology-specific retraining or manual substructure segmentation for fine-tuning, hindering scalability and adaptability. In this work, we propose ZeroSim, a transformer-based performance modeling framework designed to achieve robust in-distribution generalization across trained topologies under novel parameter configurations and zero-shot generalization to unseen topologies without any fine-tuning. We apply three key enabling strategies: (1) a diverse training corpus of 3.6 million instances covering over 60 amplifier topologies, (2) unified topology embeddings leveraging global-aware tokens and hierarchical attention to robustly generalize to novel circuits, and (3) a topology-conditioned parameter mapping approach that maintains consistent structural representations independent of parameter variations. Our experimental results demonstrate that ZeroSim significantly outperforms baseline models such as multilayer perceptrons, graph neural networks and transformers, delivering accurate zero-shot predictions across different amplifier topologies. Additionally, when integrated into a reinforcement learning-based parameter optimization pipeline, ZeroSim achieves a remarkable speedup (13x) compared to conventional SPICE simulations, underscoring its practical value for a wide range of analog circuit design automation tasks.

cs.LG↗

Engineered Robustness for Nonadiabatic Geometric Quantum Gates

While geometric quantum gates are often theorized to possess intrinsic resilience to control errors by exploiting the global properties of evolution paths, this promise has not consistently translated into practical robustness. We present a streamlined framework for nonadiabatic geometric quantum gates (NGQGs) that incorporates additional auxiliary constraints to suppress dynamical contamination and achieve super-robust performance. Within this framework, we also design NGQGs using noncyclic paths, offering enhanced design flexibility. Implemented on superconducting transmon qubits, our scheme realizes high-fidelity single-qubit gates that are robust against Rabi amplitude error $ε$, with infidelity scaling as $\mathcal{O}(ε^4)$, in contrast to the $\mathcal{O}(ε^2)$ behavior of conventional dynamical gates. We further analyze two-qubit NGQGs under parametric driving. Our results identify subtle limitations that compromise performance in two-qubit scenarios, underscoring the importance of phase compensation and waveform calibration. The demonstrated simplicity and generality of our super-robust NGQG scheme make it applicable across diverse quantum platforms.

quant-ph↗

Count Counts: Motivating Exploration in LLM Reasoning with Count-based Intrinsic Rewards

Reinforcement Learning (RL) has become a compelling way to strengthen the multi step reasoning ability of Large Language Models (LLMs). However, prevalent RL paradigms still lean on sparse outcome-based rewards and limited exploration, which often drives LLMs toward repetitive and suboptimal reasoning patterns. In this paper, we study the central question of how to design exploration for LLM reasoning and introduce MERCI (Motivating Exploration in LLM Reasoning with Count-based Intrinsic Rewards), a novel RL algorithm that augments policy optimization with a principled intrinsic reward. Building on the idea of count-based exploration, MERCI leverages a lightweight Coin Flipping Network (CFN) to estimate the pseudo count and further epistemic uncertainty over reasoning trajectories, and converts them into an intrinsic reward that values novelty while preserving the learning signal from task rewards. We integrate MERCI into some advanced RL frameworks like Group Relative Policy Optimization (GRPO). Experiments on complex reasoning benchmarks demonstrate that MERCI encourages richer and more varied chains of thought, significantly improves performance over strong baselines, and helps the policy escape local routines to discover better solutions. It indicates that our targeted intrinsic motivation can make exploration reliable for language model reasoning.

cs.AI↗

SDG-L: A Semiparametric Deep Gaussian Process based Framework for Battery Capacity Prediction

Lithium-ion batteries are becoming increasingly omnipresent in energy supply. However, the durability of energy storage using lithium-ion batteries is threatened by their dropping capacity with the growing number of charging/discharging cycles. An accurate capacity prediction is the key to ensure system efficiency and reliability, where the exploitation of battery state information in each cycle has been largely undervalued. In this paper, we propose a semiparametric deep Gaussian process regression framework named SDG-L to give predictions based on the modeling of time series battery state data. By introducing an LSTM feature extractor, the SDG-L is specially designed to better utilize the auxiliary profiling information during charging/discharging process. In experimental studies based on NASA dataset, our proposed method obtains an average test MSE error of 1.2%. We also show that SDG-L achieves better performance compared to existing works and validate the framework using ablation studies.

cs.LG↗

Multi-group Bayesian Games

This paper presents a model of multi-group Bayesian games (MBGs) to describe the group behavior in Bayesian games, and gives methods to find (strongly) multi-group Bayesian Nash equilibria (MBNE) of this model with a proposed transformation. MBNE represent the optimal strategy \textit{profiles} under the situation where players within a group play a cooperative game, while strongly MBNE characterize the optimal strategy \textit{profiles} under the situation where players within a group play a noncooperative game. Firstly, we propose a model of MBGs and give a transformation to convert any MBG into a multi-group ex-ante agent game (MEAG) which is a normal-form game. Secondly, we give a sufficient and necessary condition for a MBG's MEAG to be (strongly) potential. If it is (strongly) potential, all its (strongly) Nash equilibria can be found, and then all (strongly) MBNE of the MBG can be obtained by leveraging the transformation's good properties. Finally, we provide algorithms for finding (strongly) MBNE of a MBG whose MEAG is (strongly) potential and use an illustrative example to verify the correctness of our results.

cs.GT↗

Beyond Overall Accuracy: Pose- and Occlusion-driven Fairness Analysis in Pedestrian Detection for Autonomous Driving

Pedestrian detection plays a critical role in autonomous driving (AD), where ensuring safety and reliability is important. While many detection models aim to reduce miss-rates and handle challenges such as occlusion and long-range recognition, fairness remains an underexplored yet equally important concern. In this work, we systematically investigate how variations in the pedestrian pose -- including leg status, elbow status, and body orientation -- as well as individual joint occlusions, affect detection performance. We evaluate five pedestrian-specific detectors (F2DNet, MGAN, ALFNet, CSP, and Cascade R-CNN) alongside three general-purpose models (YOLOv12 variants) on the EuroCity Persons Dense Pose (ECP-DP) dataset. Fairness is quantified using the Equal Opportunity Difference (EOD) metric across various confidence thresholds. To assess statistical significance and robustness, we apply the Z-test. Our findings highlight biases against pedestrians with parallel legs, straight elbows, and lateral views. Occlusion of lower body joints has a more negative impact on the detection rate compared to the upper body and head. Cascade R-CNN achieves the lowest overall miss-rate and exhibits the smallest bias across all attributes. To the best of our knowledge, this is the first comprehensive pose- and occlusion-aware fairness evaluation in pedestrian detection for AD.

cs.CV↗

Seeing and Meteorological Analysis at the North-1 and North-2 Points of Muztagh-Ata Site on the Pamir Plateau

To support the selection of large optical/infrared telescope sites in western China, long-term monitoring of atmospheric conditions and astronomical seeing has been conducted at the Muztagh-Ata site on the Pamir Plateau since 2017. With the monitoring focus gradually shifting northward, three stations were established: the South Point, North-1 point, and North-2 point. The North-1 point,selected as the site for the Muztagh-Ata 1.93 m Synergy Telescope (MOST), has recorded seeing and meteorological parameters since late 2018. In 2023,the North-2 point was established approximately 1.5 km northeast of North-1 point as a candidate location for a future large-aperture telescope. A 10m DIMM tower and a PC-4A environmental monitoring system were installed to evaluate site quality. This study presents a comparative analysis of data from the North-1 and North-2 points during 2018-2024.The median seeing is 0.89 arcsecs at North-1 and 0.78 arcsecs at North-2. Both points show clear seasonal and diurnal variations,with winter nights offering optimal observing conditions.On average, about 64% of the nighttime duration per year is suitable for astronomical observations. Nighttime temperature variation is low :2.03 at North-1 and 2.10 at North-2 .Median wind speeds are 5-6 m/s, with dominant directions between 210 and 300, contributing to stable airflow. Moderate wind suppresses turbulence, while strong shear and rapid fluctuations degrade image quality. These findings confirm that both the North-1 and North-2 points offer high-quality atmospheric conditions and serve as promising sites for future ground-based optical/infrared telescopes in western China.

astro-ph.IM↗

SolarSeer: Ultrafast and accurate 24-hour solar irradiance forecasts outperforming numerical weather prediction across the USA

Accurate 24-hour solar irradiance forecasting is essential for the safe and economic operation of solar photovoltaic systems. Traditional numerical weather prediction (NWP) models represent the state-of-the-art in forecasting performance but rely on computationally costly data assimilation and solving complicated partial differential equations (PDEs) that simulate atmospheric physics. Here, we introduce SolarSeer, an end-to-end large artificial intelligence (AI) model for solar irradiance forecasting across the Contiguous United States (CONUS). SolarSeer is designed to directly map the historical satellite observations to future forecasts, eliminating the computational overhead of data assimilation and PDEs solving. This efficiency allows SolarSeer to operate over 1,500 times faster than traditional NWP, generating 24-hour cloud cover and solar irradiance forecasts for the CONUS at 5-kilometer resolution in under 3 seconds. Compared with the state-of-the-art NWP in the CONUS, i.e., High-Resolution Rapid Refresh (HRRR), SolarSeer significantly reduces the root mean squared error of solar irradiance forecasting by 27.28% in reanalysis data and 15.35% across 1,800 stations. SolarSeer also effectively captures solar irradiance fluctuations and significantly enhances the first-order irradiance difference forecasting accuracy. SolarSeer's ultrafast, accurate 24-hour solar irradiance forecasts provide strong support for the transition to sustainable, net-zero energy systems.

cs.LG↗

Visual-CoG: Stage-Aware Reinforcement Learning with Chain of Guidance for Text-to-Image Generation

Despite the promising progress of recent autoregressive models in text-to-image (T2I) generation, their ability to handle multi-attribute and ambiguous prompts remains limited. To address these limitations, existing works have applied chain-of-thought (CoT) to enable stage-aware visual synthesis and employed reinforcement learning (RL) to improve reasoning capabilities. However, most models provide reward signals only at the end of the generation stage. This monolithic final-only guidance makes it difficult to identify which stages contribute positively to the final outcome and may lead to suboptimal policies. To tackle this issue, we propose a Visual-Chain of Guidance (Visual-CoG) paradigm consisting of three stages: semantic reasoning, process refining, and outcome evaluation, with stage-aware rewards providing immediate guidance throughout the image generation pipeline. We further construct a visual cognition benchmark, VisCog-Bench, which comprises four subtasks to evaluate the effectiveness of semantic reasoning. Comprehensive evaluations on GenEval, T2I-CompBench, and the proposed VisCog-Bench show improvements of 15%, 5%, and 19%, respectively, demonstrating the superior performance of the proposed Visual-CoG. We will release all the resources soon.

cs.CV↗

Guiding Diffusion Models with Reinforcement Learning for Stable Molecule Generation

Generating physically realistic 3D molecular structures remains a core challenge in molecular generative modeling. While diffusion models equipped with equivariant neural networks have made progress in capturing molecular geometries, they often struggle to produce equilibrium structures that adhere to physical principles such as force field consistency. To bridge this gap, we propose Reinforcement Learning with Physical Feedback (RLPF), a novel framework that extends Denoising Diffusion Policy Optimization to 3D molecular generation. RLPF formulates the task as a Markov decision process and applies proximal policy optimization to fine-tune equivariant diffusion models. Crucially, RLPF introduces reward functions derived from force-field evaluations, providing direct physical feedback to guide the generation toward energetically stable and physically meaningful structures. Experiments on the QM9 and GEOM-drug datasets demonstrate that RLPF significantly improves molecular stability compared to existing methods. These results highlight the value of incorporating physics-based feedback into generative modeling. The code is available at: https://github.com/ZhijianZhou/RLPF/tree/verl_diffusion.

cs.LG↗

Constraints-Guided Diffusion Reasoner for Neuro-Symbolic Learning

Enabling neural networks to learn complex logical constraints and fulfill symbolic reasoning is a critical challenge. Bridging this gap often requires guiding the neural network's output distribution to move closer to the symbolic constraints. While diffusion models have shown remarkable generative capability across various domains, we employ the powerful architecture to perform neuro-symbolic learning and solve logical puzzles. Our diffusion-based pipeline adopts a two-stage training strategy: the first stage focuses on cultivating basic reasoning abilities, while the second emphasizes systematic learning of logical constraints. To impose hard constraints on neural outputs in the second stage, we formulate the diffusion reasoner as a Markov decision process and innovatively fine-tune it with an improved proximal policy optimization algorithm. We utilize a rule-based reward signal derived from the logical consistency of neural outputs and adopt a flexible strategy to optimize the diffusion reasoner's policy. We evaluate our methodology on some classical symbolic reasoning benchmarks, including Sudoku, Maze, pathfinding and preference learning. Experimental results demonstrate that our approach achieves outstanding accuracy and logical consistency among neural networks.

cs.AI↗

Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems

Advances in artificial intelligence (AI) are fueling a new paradigm of discoveries in natural sciences. Today, AI has started to advance natural sciences by improving, accelerating, and enabling our understanding of natural phenomena at a wide range of spatial and temporal scales, giving rise to a new area of research known as AI for science (AI4Science). Being an emerging research paradigm, AI4Science is unique in that it is an enormous and highly interdisciplinary area. Thus, a unified and technical treatment of this field is needed yet challenging. This work aims to provide a technically thorough account of a subarea of AI4Science; namely, AI for quantum, atomistic, and continuum systems. These areas aim at understanding the physical world from the subatomic (wavefunctions and electron density), atomic (molecules, proteins, materials, and interactions), to macro (fluids, climate, and subsurface) scales and form an important subarea of AI4Science. A unique advantage of focusing on these areas is that they largely share a common set of challenges, thereby allowing a unified and foundational treatment. A key common challenge is how to capture physics first principles, especially symmetries, in natural systems by deep learning methods. We provide an in-depth yet intuitive account of techniques to achieve equivariance to symmetry transformations. We also discuss other common technical challenges, including explainability, out-of-distribution generalization, knowledge transfer with foundation and large language models, and uncertainty quantification. To facilitate learning and education, we provide categorized lists of resources that we found to be useful. We strive to be thorough and unified and hope this initial effort may trigger more community interests and efforts to further advance AI4Science.

cs.LG↗

Universal Retrieval for Multimodal Trajectory Modeling

Trajectory data, capturing human actions and environmental states across various modalities, holds significant potential for enhancing AI agent capabilities, particularly in GUI environments. However, how to model the representation of trajectory-level data presents a significant challenge that has not been systematically addressed amid explosive trajectory data growth. In this work, we introduce Multimodal Trajectory Retrieval, bridging the gap between universal retrieval and agent-centric trajectory modeling. We construct the Unified Agent Trajectory Dataset (UATD) from annotated demonstrations and states across diverse real-world scenarios. Based on this, we present GAE-Bench, a benchmark containing a large number of trajectory-based retrieval pairs. In addition, we propose GAE-Retriever, a multimodal retrieval framework that adopts vision-language models and incorporates optimized contrastive learning through a token selection and the GradCache mechanism. Comprehensive evaluations across multiple datasets show that GAE-Retriever consistently outperforms strong baselines in retrieval recall, highlighting its effectiveness in advancing multimodal trajectory retrieval.

cs.AI↗

Physics-informed mixture of experts network for interpretable battery degradation trajectory computation amid second-life complexities

Retired electric vehicle batteries offer immense potential to support low-carbon energy systems, but uncertainties in their degradation behavior and data inaccessibilities under second-life use pose major barriers to safe and scalable deployment. This work proposes a Physics-Informed Mixture of Experts (PIMOE) network that computes battery degradation trajectories using partial, field-accessible signals in a single cycle. PIMOE leverages an adaptive multi-degradation prediction module to classify degradation modes using expert weight synthesis underpinned by capacity-voltage and relaxation data, producing latent degradation trend embeddings. These are input to a use-dependent recurrent network for long-term trajectory prediction. Validated on 207 batteries across 77 use conditions and 67,902 cycles, PIMOE achieves an average mean absolute percentage (MAPE) errors of 0.88% with a 0.43 ms inference time. Compared to the state-of-the-art Informer and PatchTST, it reduces computational time and MAPE by 50%, respectively. Compatible with random state of charge region sampling, PIMOE supports 150-cycle forecasts with 1.50% average and 6.26% maximum MAPE, and operates effectively even with pruned 5MB training data. Broadly, PIMOE framework offers a deployable, history-free solution for battery degradation trajectory computation, redefining how second-life energy storage systems are assessed, optimized, and integrated into the sustainable energy landscape.

cs.LG↗

AskToAct: Enhancing LLMs Tool Use via Self-Correcting Clarification

Large language models (LLMs) have demonstrated remarkable capabilities in tool learning. In real-world scenarios, user queries are often ambiguous and incomplete, requiring effective clarification. However, existing interactive clarification approaches face two critical limitations: reliance on manually constructed datasets, which inherently constrains training data scale and diversity, and lack of error correction mechanisms during multi-turn clarification, leading to error accumulation that compromises both accuracy and efficiency. We present AskToAct, which addresses these challenges by exploiting the structural mapping between queries and their tool invocation solutions. Our key insight is that tool parameters naturally represent explicit user intents. By systematically removing key parameters from queries while retaining them as ground truth, we enable automated construction of high-quality training data. We further enhance model robustness through error-correction pairs and selective masking, enabling dynamic error detection during clarification interactions. Comprehensive experiments demonstrate that AskToAct significantly outperforms existing approaches, achieving above 57% accuracy in recovering critical unspecified intents and enhancing clarification efficiency by an average of 10.46% while maintaining high accuracy in tool invocation. Our framework exhibits robust performance across different model architectures and successfully generalizes to entirely unseen APIs without additional training, achieving performance comparable to GPT-4o with substantially fewer computational resources.

cs.CL↗

NeurIPS 2024 ML4CFD Competition: Results and Retrospective Analysis

The integration of machine learning (ML) into the physical sciences is reshaping computational paradigms, offering the potential to accelerate demanding simulations such as computational fluid dynamics (CFD). Yet, persistent challenges in accuracy, generalization, and physical consistency hinder the practical deployment of ML models in scientific domains. To address these limitations and systematically benchmark progress, we organized the ML4CFD competition, centered on surrogate modeling for aerodynamic simulations over two-dimensional airfoils. The competition attracted over 240 teams, who were provided with a curated dataset generated via OpenFOAM and evaluated through a multi-criteria framework encompassing predictive accuracy, physical fidelity, computational efficiency, and out-of-distribution generalization. This retrospective analysis reviews the competition outcomes, highlighting several approaches that outperformed baselines under our global evaluation score. Notably, the top entry exceeded the performance of the original OpenFOAM solver on aggregate metrics, illustrating the promise of ML-based surrogates to outperform traditional solvers under tailored criteria. Drawing from these results, we analyze the key design principles of top submissions, assess the robustness of our evaluation framework, and offer guidance for future scientific ML challenges.

cs.LG↗

Beyond the Norm: A Survey of Synthetic Data Generation for Rare Events

Extreme events, such as market crashes, natural disasters, and pandemics, are rare but catastrophic, often triggering cascading failures across interconnected systems. Accurate prediction and early warning can help minimize losses and improve preparedness. While data-driven methods offer powerful capabilities for extreme event modeling, they require abundant training data, yet extreme event data is inherently scarce, creating a fundamental challenge. Synthetic data generation has emerged as a powerful solution. However, existing surveys focus on general data with privacy preservation emphasis, rather than extreme events' unique performance requirements. This survey provides the first overview of synthetic data generation for extreme events. We systematically review generative modeling techniques and large language models, particularly those enhanced by statistical theory as well as specialized training and sampling mechanisms to capture heavy-tailed distributions. We summarize benchmark datasets and introduce a tailored evaluation framework covering statistical, dependence, visual, and task-oriented metrics. A central contribution is our in-depth analysis of each metric's applicability in extremeness and domain-specific adaptations, providing actionable guidance for model evaluation in extreme settings. We categorize key application domains and identify underexplored areas like behavioral finance, wildfires, earthquakes, windstorms, and infectious outbreaks. Finally, we outline open challenges, providing a structured foundation for advancing synthetic rare-event research.

cs.LG↗

Rethinking Regularization Methods for Knowledge Graph Completion

Knowledge graph completion (KGC) has attracted considerable attention in recent years because it is critical to improving the quality of knowledge graphs. Researchers have continuously explored various models. However, most previous efforts have neglected to take advantage of regularization from a deeper perspective and therefore have not been used to their full potential. This paper rethinks the application of regularization methods in KGC. Through extensive empirical studies on various KGC models, we find that carefully designed regularization not only alleviates overfitting and reduces variance but also enables these models to break through the upper bounds of their original performance. Furthermore, we introduce a novel sparse-regularization method that embeds the concept of rank-based selective sparsity into the KGC regularizer. The core idea is to selectively penalize those components with significant features in the embedding vector, thus effectively ignoring many components that contribute little and may only represent noise. Various comparative experiments on multiple datasets and multiple models show that the SPR regularization method is better than other regularization methods and can enable the KGC model to further break through the performance margin.

cs.LG↗