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Zixiao Wang

Publications and source records attributed to Zixiao Wang.

At least 19 recordsLinked to original sources
arXiv2026

Improved Variance Estimation in Homoskedastic Nonparametric Random-Design Regression via a Two-Scale Approach

We study estimation of a constant conditional variance $σ^2$ in nonparametric regression with a $d$-dimensional random design. This is an important problem, and similar questions arise in causal inference. The regression function is $β_b$-Hölder smooth, the design density is $β_g$-Hölder smooth and bounded above and away from zero, and we consider the nonparametric regime $β_b>1$ and $d>4β_b$. Set $β_g^\star=β_b(1-4β_b/d)/\{1+2β_b/d+8(β_b/d)^2\}$. We give an estimator whose mean squared error is upper bounded by $Cn^{-4(β_b+1)/(d+4)}$ in the low-regularity regime when $0<β_g\leqβ_g^\star$. The low-regularity branch is based on a new two-scale construction: the covariate space is partitioned into cells, the local polynomial trend is projected out within each suitable cell, and the squared normalized contrast from one eligible close pair per cell is averaged across cells. In the high regularity regime when $β_g>β_g^\star$, a higher-order influence function estimator of Robins, Li, Tchetgen Tchetgen, and van der Vaart (2008) provides the rate $Cn^{-8β_b/(d+4β_b)}$. We also give an all-pairs ridge extension, which achieves the same two-scale rate, and evaluate the methods alongside a range of existing estimators in simulations.

math.ST↗
arXiv2026

MedKGent: A Large Language Model Agent Framework for Constructing Temporally Evolving Medical Knowledge Graph

The rapid expansion of medical literature challenges the scalable structuring of domain knowledge. Knowledge Graphs (KGs) offer a solution, yet current construction methods lack generalizability and ignore the temporal dynamics of evolving knowledge. To address this, we introduce MedKGent, a Large Language Model (LLM) agent framework for building temporally evolving medical KGs. Using over 10 million PubMed abstracts from 1975 to 2023, MedKGent incrementally constructs a KG daily via two specialized agents. The Extractor Agent identifies knowledge triples and assigns confidence scores, while the Constructor Agent integrates these triples into a temporal graph, reinforcing recurring knowledge and resolving conflicts. The resulting KG contains 156,275 entities and 2,971,384 triples, making it, to our knowledge, the largest LLM-derived medical KG to date. Automated and expert assessments showed triple-validity rates approaching 90%. In downstream evaluations, MedKGent-KG significantly improved retrieval-augmented generation for five LLMs across seven medical question-answering benchmarks. Together, these results position MedKGent as a scalable and temporally aware infrastructure for medical knowledge representation and literature-grounded AI research.

cs.CL↗
arXiv2026

Remedying Coarsening-Based GNN Training under Heterophily via Adaptive Complementary Enhancement

Coarsening-based training for graph neural networks (GNNs), i.e.\ training on coarsened graphs rather than the original large ones, has become a promising direction for scaling GNNs to massive graphs. However, prior work has been evaluated almost exclusively on \textit{homophilic} graphs, leaving the more challenging \textit{heterophilic} settings underexplored. We show, both empirically and theoretically, that existing coarsening-based training methods suffer significant performance degradation on heterophilic graphs due to inevitable loss of graph information during coarsening. To address this, we propose {\bf A}daptive {\bf C}omplementary {\bf E}nhancement, a plug-and-play, model-agnostic strategy that reintegrates the information discarded in coarsening: ACE learns a projector for re-constructing original node features and applies \textit{anisotropic structural regularization} to embed local heterophily. We further adopt \textit{homoscedastic uncertainty weighting} to adaptively balance the combined training objective of primary coarsened-graph training loss and full-graph auxiliary loss with augmented node features re-constructed by the heterophily-aware projector. Extensive experiments show that ACE drives consistent gains on heterophilic benchmarks while preserving competitive results on homophilic graphs with minimal computational overhead. Code is available at the GitHub repository: https://github.com/vasile-paskardlgm/ACE.

cs.LG↗
arXiv2026

CSCO: A Backside-PDN-Aware Clock-Signal Co-Optimization Framework for Improved PPA

Backside power delivery networks (BSPDN) have emerged as a promising technology for advanced logic nodes to address IR-drop and PPA challenges. While BSPDN introduces additional routing resources on the backside, these resources are limited and must be carefully partitioned between clock and signal nets, creating a critical resource allocation tradeoff. Prior work either moves only the clock network or assumes a fixed clock tree and optimizes only signal nets, failing to explore the tradeoff space of backside resource allocation. Moreover, lacking frontside power-ground shielding, BSPDN introduces severe signal integrity (SI) degradation. We propose CSCO, a data-driven BSPDN-aware co-optimization framework that jointly allocates limited backside resources between clock and signal nets across frontside/backside layers. CSCO employs efficient search strategies to identify critical nets for backside routing without repeated evaluation, navigating the clock-signal allocation tradeoff to balance IR-drop, routing congestion, and PPA. The framework also leverages backside routing to mitigate coupling noise and crosstalk-induced SI issues. Experiments demonstrate improved WNS/TNS, frequency, and SI robustness without additional shielding overhead.

cs.CE↗
arXiv2026

Consistent Distributed Ranking of Generative Models via Kernel Distances

Ranking generative models based on the fidelity and diversity of their outputs is required to identify the best generator in a group of candidate generative AI models. To rank a group of models in a conventional centralized setting, a standard score is commonly evaluated for each involved model. The selection and design of reference-based evaluation scores have been extensively studied in centralized settings, where the reference samples are drawn from a single probability distribution. However, in practical scenarios including distributed learning contexts, reference samples are distributed across multiple clients, each potentially with a heterogeneous data distribution. In this work, we investigate the ranking of generative models in such distributed settings with heterogeneous data distributions across clients. We focus on the widely used family of kernel distance (KD) evaluation metrics. We prove that, for every kernel function, ranking models by the averaged KD scores of individual clients yields the same ordering as a centralized KD evaluation using the combined reference data from all the clients. We further extend our analysis to other popular metrics, including the Fréchet Distance (FD), for which the individual client scores could be insufficient for accurate model ranking. We present the numerical results of several experiments on standard image datasets and generative models to validate our theoretical findings regarding distributed ranking using various evaluation scores.

cs.LG↗
arXiv2026

BioXArena: Benchmarking LLM Agents on Multi-Modal Biomedical Machine Learning Tasks

Large language model (LLM) agents are increasingly capable of automating components of machine learning development, yet existing biomedical benchmarks mainly focus on question answering, reasoning, and tool usage, or evaluate only narrow aspects of biomedical ML coding. We present BioXArena, a biomedical machine learning benchmark designed to evaluate whether agents can generate task-specific model training pipelines for heterogeneous and multi-modal biomedical datasets. BioXArena contains 76 end-to-end tasks across 9 domains, including sequence modeling, single-cell analysis, structural biology, network biology, chemical biology, perturbation dynamics, phenotype-disease modeling, biomedical imaging, and text-integrated learning. Each task is curated from primary biomedical sources into a unified evaluation framework with hidden labels, held-out graders, and biology-aware metrics normalized to a 0 to 1 scale. Agents are required to write executable code, train predictive models, and generate submissions for private test samples. Most tasks involve multiple input modalities, including tabular data, images, natural language, molecular sequences, omics matrices, and protein structures. We evaluate 11 agent configurations in a standardized 2-hour single-GPU environment. MLEvolve with Gemini-3.1-Pro achieves the highest average score of 0.666, followed by GPT-5.4 with 0.636, while no single agent consistently dominates across all domains. We additionally perform extensive ablation studies, robustness evaluations, scaling analyses, cost analyses, and failure-mode investigations to better understand how model backbones, agent scaffolds, inference budgets, and biomedical domains influence BioML coding performance. We will publicly release all benchmark tasks, graders, execution runners, leaderboard results, and agent trajectories.

cs.CE↗
arXiv2026

OLion: Approaching the Hadamard Ideal by Intersecting Spectral and $\ell_{\infty}$ Implicit Biases

Many optimizers can be interpreted as steepest-descent methods under norm-induced geometries, and thus inherit corresponding implicit biases. We introduce \nameA{} (\fullname{}), which combines spectral control from orthogonalized update directions with $\ell_\infty$-style coordinate control from sign updates. \nameA{} forms a Lion-style momentum direction, approximately orthogonalizes it via a few Newton--Schulz iterations, and then applies an entrywise sign, providing an efficient approximation to taking a maximal step over the intersection of the spectral and $\ell_\infty$ constraint sets (a scaled Hadamard-like set for matrix parameters). Despite the strong nonlinearity of orthogonalization and sign, we prove convergence under a mild, empirically verified diagonal-isotropy assumption. Across large-scale language and vision training, including GPT-2 and Llama pretraining, SiT image pretraining, and supervised fine-tuning, \nameA{} matches or outperforms AdamW and Muon under comparable tuning while using only momentum-level optimizer state, and it mitigates optimizer mismatch when fine-tuning AdamW-pretrained checkpoints.

cs.LG↗
arXiv2026

RoboBrain 2.5: Depth in Sight, Time in Mind

We introduce RoboBrain 2.5, a next-generation embodied AI foundation model that advances general perception, spatial reasoning, and temporal modeling through extensive training on high-quality spatiotemporal supervision. Building upon its predecessor, RoboBrain 2.5 introduces two major capability upgrades. Specifically, it unlocks Precise 3D Spatial Reasoning by shifting from 2D pixel-relative grounding to depth-aware coordinate prediction and absolute metric constraint comprehension, generating complete 3D manipulation traces as ordered keypoint sequences under physical constraints. Complementing this spatial precision, the model establishes Dense Temporal Value Estimation that provides dense, step-aware progress prediction and execution state understanding across varying viewpoints, producing stable feedback signals for downstream learning. Together, these upgrades extend the framework toward more physically grounded and execution-aware embodied intelligence for complex, fine-grained manipulation. The code and checkpoints are available at project website: https://superrobobrain.github.io

cs.RO↗
arXiv2025

Robo-Dopamine: General Process Reward Modeling for High-Precision Robotic Manipulation

The primary obstacle for applying reinforcement learning (RL) to real-world robotics is the design of effective reward functions. While recently learning-based Process Reward Models (PRMs) are a promising direction, they are often hindered by two fundamental limitations: their reward models lack step-aware understanding and rely on single-view perception, leading to unreliable assessments of fine-grained manipulation progress; and their reward shaping procedures are theoretically unsound, often inducing a semantic trap that misguides policy optimization. To address these, we introduce Dopamine-Reward, a novel reward modeling method for learning a general-purpose, step-aware process reward model from multi-view inputs. At its core is our General Reward Model (GRM), trained on a vast 3,400+ hour dataset, which leverages Step-wise Reward Discretization for structural understanding and Multi-Perspective Reward Fusion to overcome perceptual limitations. Building upon Dopamine-Reward, we propose Dopamine-RL, a robust policy learning framework that employs a theoretically-sound Policy-Invariant Reward Shaping method, which enables the agent to leverage dense rewards for efficient self-improvement without altering the optimal policy, thereby fundamentally avoiding the semantic trap. Extensive experiments across diverse simulated and real-world tasks validate our approach. GRM achieves state-of-the-art accuracy in reward assessment, and Dopamine-RL built on GRM significantly improves policy learning efficiency. For instance, after GRM is adapted to a new task in a one-shot manner from a single expert trajectory, the resulting reward model enables Dopamine-RL to improve the policy from near-zero to 95% success with only 150 online rollouts (approximately 1 hour of real robot interaction), while retaining strong generalization across tasks. Project website: https://robo-dopamine.github.io

cs.RO↗
arXiv2025

Beyond Profile: From Surface-Level Facts to Deep Persona Simulation in LLMs

Previous approaches to persona simulation large language models (LLMs) have typically relied on learning basic biographical information, or using limited role-play dialogue datasets to capture a character's responses. However, a holistic representation of an individual goes beyond surface-level facts or conversations to deeper thoughts and thinking. In this work, we introduce CharacterBot, a model designed to replicate both the linguistic patterns and distinctive thought patterns as manifested in the textual works of a character. Using Lu Xun, a renowned Chinese writer as a case study, we propose four training tasks derived from his 17 essay collections. These include a pre-training task focused on mastering external linguistic structures and knowledge, as well as three fine-tuning tasks: multiple-choice question answering, generative question answering, and style transfer, each aligning the LLM with Lu Xun's internal ideation and writing style. To optimize learning across these tasks, we introduce a CharLoRA parameter updating mechanism, where a general linguistic style expert collaborates with other task-specific experts to better study both the language style and the understanding of deeper thoughts. We evaluate CharacterBot on three tasks for linguistic accuracy and opinion comprehension, demonstrating that it significantly outperforms the baselines on our adapted metrics. We hope this work inspires future research on deep character persona simulation LLMs while considering the importance of ethical standards.

cs.CL↗
arXiv2025

Can A Society of Generative Agents Simulate Human Behavior and Inform Public Health Policy? A Case Study on Vaccine Hesitancy

Can we simulate a sandbox society with generative agents to model human behavior, thereby reducing the over-reliance on real human trials for assessing public policies? In this work, we investigate the feasibility of simulating health-related decision-making, using vaccine hesitancy, defined as the delay in acceptance or refusal of vaccines despite the availability of vaccination services (MacDonald, 2015), as a case study. To this end, we introduce the VacSim framework with 100 generative agents powered by Large Language Models (LLMs). VacSim simulates vaccine policy outcomes with the following steps: 1) instantiate a population of agents with demographics based on census data; 2) connect the agents via a social network and model vaccine attitudes as a function of social dynamics and disease-related information; 3) design and evaluate various public health interventions aimed at mitigating vaccine hesitancy. To align with real-world results, we also introduce simulation warmup and attitude modulation to adjust agents' attitudes. We propose a series of evaluations to assess the reliability of various LLM simulations. Experiments indicate that models like Llama and Qwen can simulate aspects of human behavior but also highlight real-world alignment challenges, such as inconsistent responses with demographic profiles. This early exploration of LLM-driven simulations is not meant to serve as definitive policy guidance; instead, it serves as a call for action to examine social simulation for policy development.

cs.MA↗
arXiv2025

Test-Time Scaling with Reflective Generative Model

We introduce our first reflective generative model MetaStone-S1, which obtains OpenAI o3-mini's performance via the new Reflective Generative Form. The new form focuses on high-quality reasoning trajectory selection and contains two novelties: 1) A unified interface for policy and process reward model: we share the backbone network and use task-specific heads for reasoning trajectory predicting and scoring respectively, introducing only 53M extra parameters for trajectory scoring. 2) Eliminating the reliance on process-level annotation: we provide a self-supervised process reward model, which can directly learn the high-quality reasoning trajectory selection from the outcome reward. Equipped with the reflective generative form, MetaStone-S1 is naturally suitable for test-time scaling, and we provide three reasoning effort modes (low, medium, and high) based on the controllable thinking length. Experiments demonstrate that our MetaStone-S1 achieves comparable performance to OpenAI o3-mini's series with only 32B parameter size. To support the research community, we have open-sourced MetaStone-S1 at https://github.com/MetaStone-AI/MetaStone-S1.

cs.LG↗
arXiv2025

DiffPattern-Flex: Efficient Layout Pattern Generation via Discrete Diffusion

Recent advancements in layout pattern generation have been dominated by deep generative models. However, relying solely on neural networks for legality guarantees raises concerns in many practical applications. In this paper, we present \tool{DiffPattern}-Flex, a novel approach designed to generate reliable layout patterns efficiently. \tool{DiffPattern}-Flex incorporates a new method for generating diverse topologies using a discrete diffusion model while maintaining a lossless and compute-efficient layout representation. To ensure legal pattern generation, we employ {an} optimization-based, white-box pattern assessment process based on specific design rules. Furthermore, fast sampling and efficient legalization technologies are employed to accelerate the generation process. Experimental results across various benchmarks demonstrate that \tool{DiffPattern}-Flex significantly outperforms existing methods and excels at producing reliable layout patterns.

cs.LG↗
arXiv2025

Refining Positive and Toxic Samples for Dual Safety Self-Alignment of LLMs with Minimal Human Interventions

Recent AI agents, such as ChatGPT and LLaMA, primarily rely on instruction tuning and reinforcement learning to calibrate the output of large language models (LLMs) with human intentions, ensuring the outputs are harmless and helpful. Existing methods heavily depend on the manual annotation of high-quality positive samples, while contending with issues such as noisy labels and minimal distinctions between preferred and dispreferred response data. However, readily available toxic samples with clear safety distinctions are often filtered out, removing valuable negative references that could aid LLMs in safety alignment. In response, we propose PT-ALIGN, a novel safety self-alignment approach that minimizes human supervision by automatically refining positive and toxic samples and performing fine-grained dual instruction tuning. Positive samples are harmless responses, while toxic samples deliberately contain extremely harmful content, serving as a new supervisory signals. Specifically, we utilize LLM itself to iteratively generate and refine training instances by only exploring fewer than 50 human annotations. We then employ two losses, i.e., maximum likelihood estimation (MLE) and fine-grained unlikelihood training (UT), to jointly learn to enhance the LLM's safety. The MLE loss encourages an LLM to maximize the generation of harmless content based on positive samples. Conversely, the fine-grained UT loss guides the LLM to minimize the output of harmful words based on negative samples at the token-level, thereby guiding the model to decouple safety from effectiveness, directing it toward safer fine-tuning objectives, and increasing the likelihood of generating helpful and reliable content. Experiments on 9 popular open-source LLMs demonstrate the effectiveness of our PT-ALIGN for safety alignment, while maintaining comparable levels of helpfulness and usefulness.

cs.CL↗
arXiv2025

TorchResist: Open-Source Differentiable Resist Simulator

Recent decades have witnessed remarkable advancements in artificial intelligence (AI), including large language models (LLMs), image and video generative models, and embodied AI systems. These advancements have led to an explosive increase in the demand for computational power, challenging the limits of Moore's Law. Optical lithography, a critical technology in semiconductor manufacturing, faces significant challenges due to its high costs. To address this, various lithography simulators have been developed. However, many of these simulators are limited by their inadequate photoresist modeling capabilities. This paper presents TorchResist, an open-source, differentiable photoresist simulator.TorchResist employs an analytical approach to model the photoresist process, functioning as a white-box system with at most twenty interpretable parameters. Leveraging modern differentiable programming techniques and parallel computing on GPUs, TorchResist enables seamless co-optimization with other tools across multiple related tasks. Our experimental results demonstrate that TorchResist achieves superior accuracy and efficiency compared to existing solutions. The source code is publicly available.

cs.LG↗
arXiv2024

FlexPose: Pose Distribution Adaptation with Limited Guidance

Numerous well-annotated human key-point datasets are publicly available to date. However, annotating human poses for newly collected images is still a costly and time-consuming progress. Pose distributions from different datasets share similar pose hinge-structure priors with different geometric transformations, such as pivot orientation, joint rotation, and bone length ratio. The difference between Pose distributions is essentially the difference between the transformation distributions. Inspired by this fact, we propose a method to calibrate a pre-trained pose generator in which the pose prior has already been learned to an adapted one following a new pose distribution. We treat the representation of human pose joint coordinates as skeleton image and transfer a pre-trained pose annotation generator with only a few annotation guidance. By fine-tuning a limited number of linear layers that closely related to the pose transformation, the adapted generator is able to produce any number of pose annotations that are similar to the target poses. We evaluate our proposed method, FlexPose, on several cross-dataset settings both qualitatively and quantitatively, which demonstrates that our approach achieves state-of-the-art performance compared to the existing generative-model-based transfer learning methods when given limited annotation guidance.

cs.CV↗
arXiv2024

A Decade of Deep Learning: A Survey on The Magnificent Seven

Deep learning has fundamentally reshaped the landscape of artificial intelligence over the past decade, enabling remarkable achievements across diverse domains. At the heart of these developments lie multi-layered neural network architectures that excel at automatic feature extraction, leading to significant improvements in machine learning tasks. To demystify these advances and offer accessible guidance, we present a comprehensive overview of the most influential deep learning algorithms selected through a broad-based survey of the field. Our discussion centers on pivotal architectures, including Residual Networks, Transformers, Generative Adversarial Networks, Variational Autoencoders, Graph Neural Networks, Contrastive Language-Image Pre-training, and Diffusion models. We detail their historical context, highlight their mathematical foundations and algorithmic principles, and examine subsequent variants, extensions, and practical considerations such as training methodologies, normalization techniques, and learning rate schedules. Beyond historical and technical insights, we also address their applications, challenges, and potential research directions. This survey aims to serve as a practical manual for both newcomers seeking an entry point into cutting-edge deep learning methods and experienced researchers transitioning into this rapidly evolving domain.

cs.LG↗