Zhuoyuan Wang

Zhuoyuan Wang, Xiyu Deng, Hikaru Hoshino et al. · cmu

Achieving long-term safety in uncertain/extreme environments while accounting for human preferences remains a fundamental challenge for autonomous systems. Existing methods often trade off long-term guarantees for fast real-time control and cannot adapt to variability in human preferences or risk tolerance. To address these limitations, we propose a language-guided adaptive probabilistic safety certificate (PSC) framework that guarantees long-term safety for stochastic systems under environmental uncertainty while accommodating diverse human preferences. The proposed framework integrates natural-language inputs from users and Bayesian estimators of the environment into adaptive safety certificates that explicitly account for user preferences, system dynamics, and quantified uncertainties. Our key technical innovation leverages probabilistic invariance--a generalization of forward invariance to a probability space--to obtain myopic safety conditions with long-term safety guarantees. We validate the framework through numerical simulations of autonomous lane-keeping with human-in-the-loop guidance under uncertain and extreme road conditions, demonstrating enhanced safety-performance trade-offs, adaptability to changing environments, and personalization to different user preferences. Code is available at https://github.com/hoshino06/adaptive_lane_keeping.

Jiaxing Li, Hanjiang Hu, Zhuoyuan Wang et al. · cmu

Safety critical control of robotic manipulation tasks involving deformable media such as fluids, cloth, and soft objects remains challenging because existing learning based approaches encode safety indirectly through reward shaping, which provides no guarantee of constraint satisfaction at deployment. We present a constraint driven online safety filter for deformable object manipulation that enforces explicit task level safety constraints in real time by minimally modifying any nominal control policy. Our approach combines two key components: a horizon agnostic neural operator that learns the boundary input output mapping of the underlying PDE dynamics and generalizes across variable rollout lengths without retraining, and a boundary control barrier function that certifies safety at the task relevant output level via a lightweight quadratic program. The resulting safety constraint is affine in the boundary input rate, enabling real time online filtering. We evaluate the proposed method on fluid manipulation tasks in FluidLab, where the filter improves safe trajectory rates by up to 22% over unfiltered base policies while also reducing the number of steps required to reach the safe set, demonstrating that constraint driven safety enforcement is both more reliable and more efficient than reward shaping approaches.

Zeyu Shen, Zhuoyuan Wang, Laixi Shi

Recent advances in learning-based model predictive control (MPC) have leveraged neural networks for online model learning, achieving strong performance when nonstationary system dynamics deviate from nominal models. However, existing approaches primarily address specific or relatively structured forms of dynamical variation, leaving more general, unknown, and unpredictable time-varying dynamics insufficiently handled. To tackle this challenge, we propose T2S-MPC, a framework that adaptively learns a residual dynamics model online and integrates it with the nominal model within the MPC framework to enable fast-evolving online planning. To make the model time-aware, we explicitly encode temporal information through a structured time embedding and employ a two-timescale update scheme, allowing the controller to capture nonstationary dynamics while balancing rapid adaptation with stable learning. We evaluate the proposed method on a 2D quadrotor across stabilization and trajectory tracking tasks under diverse time-varying disturbances, including linear drifting and periodic perturbations. Experimental results show that T2S-MPC consistently outperforms classical MPC, neural MPC, and ablated variants in control performance, while also demonstrating strong robustness across a wide range of disturbance conditions without additional tuning. The source code is publicly available at https://github.com/Zeyuu0920/T2S_MPC

Zhuoyuan Wang, Albert Chern, Yorie Nakahira · cmu

Accurate estimation of long-term risk is essential for the design and analysis of stochastic dynamical systems. Existing risk quantification methods typically rely on extensive datasets involving risk events observed over extended time horizons, which can be prohibitively expensive to acquire. Motivated by this gap, we propose an efficient method for learning long-term risk probabilities using short-term samples with limited occurrence of risk events. Specifically, we establish that four distinct classes of long-term risk probabilities are characterized by specific partial differential equations (PDEs). Using this characterization, we introduce a physics-informed learning framework that combines empirical data with physics information to infer risk probabilities. We then analyze the theoretical properties of this framework in terms of generalization and convergence. Through numerical experiments, we demonstrate that our framework not only generalizes effectively beyond the sampled states and time horizons but also offers additional benefits such as improved sample efficiency, rapid online inference capabilities under changing system dynamics, and stable computation of probability gradients. These results highlight how embedding PDE constraints, which contain explicit gradient terms and inform how risk probabilities depend on state, time horizon, and system parameters, improves interpolation and generalization between/beyond the available data.

Yimeng Sun, Zhuoyuan Wang, Xiaole Zhang et al. · cmu

Accurate risk assessment is essential for safety-critical autonomous and control systems under uncertainty. In many real-world settings, stochastic dynamics exhibit asymmetric jumps and long-range memory, making long-term risk probabilities difficult to estimate across varying system dynamics, initial conditions, and time horizons. Existing sampling-based methods are computationally expensive due to repeated long-horizon simulations to capture rare events, while existing partial differential equation (PDE)-based formulations are largely limited to Gaussian or symmetric jump dynamics and typically treat memory effects in isolation. In this paper, we address these challenges by deriving a space- and time-fractional PDE that characterizes long-term safety and recovery probabilities for stochastic systems with both asymmetric Levy jumps and memory. This unified formulation captures nonlocal spatial effects and temporal memory within a single framework and enables the joint evaluation of risk across initial states and horizons. We show that the proposed PDE accurately characterizes long-term risk and reveals behaviors that differ fundamentally from systems without jumps or memory and from standard non-fractional PDEs. Building on this characterization, we further demonstrate how physics-informed learning can efficiently solve the fractional PDEs, enabling accurate risk prediction across diverse configurations and strong generalization to out-of-distribution dynamics.

Jiacong Mi, Yi Zu, Zhuoyuan Wang et al.

Medication recommendation using Electronic Health Records (EHR) is challenging due to complex medical data. Current approaches extract longitudinal information from patient EHR to personalize recommendations. However, existing models often lack sufficient patient representation and overlook the importance of considering the similarity between a patient's medication records and specific medicines. Therefore, an Attention-guided Collaborative Decision Network (ACDNet) for medication recommendation is proposed in this paper. Specifically, ACDNet utilizes attention mechanism and Transformer to effectively capture patient health conditions and medication records by modeling their historical visits at both global and local levels. ACDNet also employs a collaborative decision framework, utilizing the similarity between medication records and medicine representation to facilitate the recommendation process. The experimental results on two extensive medical datasets, MIMIC-III and MIMIC-IV, clearly demonstrate that ACDNet outperforms state-of-the-art models in terms of Jaccard, PR-AUC, and F1 score, reaffirming its superiority. Moreover, the ablation experiments provide solid evidence of the effectiveness of each module in ACDNet, validating their contribution to the overall performance. Furthermore, a detailed case study reinforces the effectiveness of ACDNet in medication recommendation based on EHR data, showcasing its practical value in real-world healthcare scenarios.

Zengyi Qin, Jinyuan Chen, Yunze Man et al.

Training computer use agents requires full-featured OS sandboxes with GUI environments, which consume substantial hardware resources as the number of sandboxes scales. Stochastic errors arising from diverse software execution within these sandboxes further demand robust infrastructure design and reliable error recovery. We present OSGym, a scalable OS environment infrastructure for computer use agents, built around these key optimization strategies: (1) Decentralized OS state management, which isolates failures to individual replicas and significantly enhances overall system reliability; (2) Hardware-aware OS replica orchestration, which addresses CPU-bounded scaling bottlenecks and substantially reduces compute overhead; (3) KVM virtualization with copy-on-write disk management, which shares a common bootable disk across VM instances and provisions only instance-specific modifications, reducing physical disk consumption by 88% and increasing disk provisioning speed by 37 times; and (4) Robust container pool with multi-layer fault recovery. Together, these optimizations yield strong scalability and resource efficiency: OSGym manages over a thousand OS replicas under constrained resources, supports parallel trajectory generation at 1420 multi-turn trajectories per minute, and reduces per-replica cost to 0.2-0.3 USD per day, a 90% reduction over standard deployment. Our experiments validate OSGym across end-to-end pipelines for data collection and training for computer use agents. We believe OSGym establishes a new foundation for scalable, general-purpose computer use agent research.

Haiqiao Wang, Zhuoyuan Wang, Dong Ni et al.

Deformable image registration plays a crucial role in medical imaging, aiding in disease diagnosis and image-guided interventions. Traditional iterative methods are slow, while deep learning (DL) accelerates solutions but faces usability and precision challenges. This study introduces a pyramid network with the enhanced motion decomposition Transformer (ModeTv2) operator, showcasing superior pairwise optimization (PO) akin to traditional methods. We re-implement ModeT operator with CUDA extensions to enhance its computational efficiency. We further propose RegHead module which refines deformation fields, improves the realism of deformation and reduces parameters. By adopting the PO, the proposed network balances accuracy, efficiency, and generalizability. Extensive experiments on three public brain MRI datasets and one abdominal CT dataset demonstrate the network's suitability for PO, providing a DL model with enhanced usability and interpretability. The code is publicly available at https://github.com/ZAX130/ModeTv2.

Zhuoyuan Wang, Hanjiang Hu, Xiyu Deng et al.

Solving diverse partial differential equations (PDEs) is fundamental in science and engineering. Large language models (LLMs) have demonstrated strong capabilities in code generation, symbolic reasoning, and tool use, but reliably solving PDEs across heterogeneous settings remains challenging. Prior work on LLM-based code generation and transformer-based foundation models for PDE learning has shown promising advances. However, a persistent trade-off between execution success rate and numerical accuracy arises, particularly when generalization to unseen parameters and boundary conditions is required. In this work, we propose OpInf-LLM, an LLM parametric PDE solving framework based on operator inference. The proposed framework leverages a small amount of solution data to enable accurate prediction of diverse PDE instances, including unseen parameters and configurations, and provides seamless integration with LLMs for natural language specification of PDE solving tasks. Its low computational demands and unified tool interface further enable a high execution success rate across heterogeneous settings. By combining operator inference with LLM capabilities, OpInf-LLM opens new possibilities for generalizable reduced-order modeling in LLM-based PDE solving.

Zhuoyuan Wang, Jiacong Mi, Shan Lu et al.

The quest for accurate prediction of drug molecule properties poses a fundamental challenge in the realm of Artificial Intelligence Drug Discovery (AIDD). An effective representation of drug molecules emerges as a pivotal component in this pursuit. Contemporary leading-edge research predominantly resorts to self-supervised learning (SSL) techniques to extract meaningful structural representations from large-scale, unlabeled molecular data, subsequently fine-tuning these representations for an array of downstream tasks. However, an inherent shortcoming of these studies lies in their singular reliance on one modality of molecular information, such as molecule image or SMILES representations, thus neglecting the potential complementarity of various molecular modalities. In response to this limitation, we propose MolIG, a novel MultiModaL molecular pre-training framework for predicting molecular properties based on Image and Graph structures. MolIG model innovatively leverages the coherence and correlation between molecule graph and molecule image to execute self-supervised tasks, effectively amalgamating the strengths of both molecular representation forms. This holistic approach allows for the capture of pivotal molecular structural characteristics and high-level semantic information. Upon completion of pre-training, Graph Neural Network (GNN) Encoder is used for the prediction of downstream tasks. In comparison to advanced baseline models, MolIG exhibits enhanced performance in downstream tasks pertaining to molecular property prediction within benchmark groups such as MoleculeNet Benchmark Group and ADMET Benchmark Group.

Zhuoyuan Wang, Haiqiao Wang, Yi Wang

The advent of deep-learning-based registration networks has addressed the time-consuming challenge in traditional iterative methods.However, the potential of current registration networks for comprehensively capturing spatial relationships has not been fully explored, leading to inadequate performance in large-deformation image registration.The pure convolutional neural networks (CNNs) neglect feature enhancement, while current Transformer-based networks are susceptible to information redundancy.To alleviate these issues, we propose a pyramid attention network (PAN) for deformable medical image registration.Specifically, the proposed PAN incorporates a dual-stream pyramid encoder with channel-wise attention to boost the feature representation.Moreover, a multi-head local attention Transformer is introduced as decoder to analyze motion patterns and generate deformation fields.Extensive experiments on two public brain magnetic resonance imaging (MRI) datasets and one abdominal MRI dataset demonstrate that our method achieves favorable registration performance, while outperforming several CNN-based and Transformer-based registration networks.Our code is publicly available at https://github.com/JuliusWang-7/PAN.

Zhuoyuan Wang, Dong Sun, Xiangyun Zeng et al.

The segmentation of organs in volumetric medical images plays an important role in computer-aided diagnosis and treatment/surgery planning. Conventional 2D convolutional neural networks (CNNs) can hardly exploit the spatial correlation of volumetric data. Current 3D CNNs have the advantage to extract more powerful volumetric representations but they usually suffer from occupying excessive memory and computation nevertheless. In this study we aim to enhance the 2D networks with contextual information for better volumetric image segmentation. Accordingly, we propose a contextual embedding learning approach to facilitate 2D CNNs capturing spatial information properly. Our approach leverages the learned embedding and the slice-wisely neighboring matching as a soft cue to guide the network. In such a way, the contextual information can be transferred slice-by-slice thus boosting the volumetric representation of the network. Experiments on challenging prostate MRI dataset (PROMISE12) and abdominal CT dataset (CHAOS) show that our contextual embedding learning can effectively leverage the inter-slice context and improve segmentation performance. The proposed approach is a plug-and-play, and memory-efficient solution to enhance the 2D networks for volumetric segmentation. Our code is publicly available at https://github.com/JuliusWang-7/CE_Block.

Zhuoyuan Wang, Haiqiao Wang, Yi Wang

Most existing deep learning-based registration methods are trained on single-type images to address same-domain tasks.However, cross-domain deformable registration remains challenging.We argue that the tailor-made matching criteria in traditional registration methods is one of the main reason they are applicable in different domains.Motivated by this, we devise a registration-oriented encoder to model the matching criteria of image features and structural features, which is beneficial to boost registration accuracy and adaptability.Specifically, a general feature encoder (Encoder-G) is proposed to capture comprehensive medical image features, while a structural feature encoder (Encoder-S) is designed to encode the structural self-similarity into the global representation.Extensive experiments on images from three different domains prove the efficacy of the proposed method. Moreover, by updating Encoder-S using one-shot learning, our method can effectively adapt to different domains.The code is publicly available at https://github.com/JuliusWang-7/EncoderReg.

Junyu Chen, Shuwen Wei, Joel Honkamaa et al.

Medical image challenges have played a transformative role in advancing the field, catalyzing algorithmic innovation and establishing new performance standards across diverse clinical applications. Image registration, a foundational task in neuroimaging pipelines, has similarly benefited from the Learn2Reg initiative. Building on this foundation, we introduce the Large-scale Unsupervised Brain MRI Image Registration (LUMIR) challenge, a next-generation benchmark designed to assess and advance unsupervised brain MRI registration. Distinct from prior challenges that leveraged anatomical label maps for supervision, LUMIR removes this dependency by providing over 4,000 preprocessed T1-weighted brain MRIs for training without any label maps, encouraging biologically plausible deformation modeling through self-supervision. In addition to evaluating performance on 590 held-out test subjects, LUMIR introduces a rigorous suite of zero-shot generalization tasks, spanning out-of-domain imaging modalities (e.g., FLAIR, T2-weighted, T2*-weighted), disease populations (e.g., Alzheimer's disease), acquisition protocols (e.g., 9.4T MRI), and species (e.g., macaque brains). A total of 1,158 subjects and over 4,000 image pairs were included for evaluation. Performance was assessed using both segmentation-based metrics (Dice coefficient, 95th percentile Hausdorff distance) and landmark-based registration accuracy (target registration error). Across both in-domain and zero-shot tasks, deep learning-based methods consistently achieved state-of-the-art accuracy while producing anatomically plausible deformation fields. The top-performing deep learning-based models demonstrated diffeomorphic properties and inverse consistency, outperforming several leading optimization-based methods, and showing strong robustness to most domain shifts, the exception being a drop in performance on out-of-domain contrasts.

Zhuoyuan Wang, Haoming Jing, Christian Kurniawan et al. · cmu

This paper addresses the design of safety certificates for stochastic systems, with a focus on ensuring long-term safety through fast real-time control. In stochastic environments, set invariance-based methods that restrict the probability of risk events in infinitesimal time intervals may exhibit significant long-term risks due to cumulative uncertainties/risks. On the other hand, reachability-based approaches that account for the long-term future may require prohibitive computation in real-time decision making. To overcome this challenge involving stringent long-term safety vs. computation tradeoffs, we first introduce a novel technique termed `probabilistic invariance'. This technique characterizes the invariance conditions of the probability of interest. When the target probability is defined using long-term trajectories, this technique can be used to design myopic conditions/controllers with assured long-term safe probability. Then, we integrate this technique into safe control and learning. The proposed control methods efficiently assure long-term safety using neural networks or model predictive controllers with short outlook horizons. The proposed learning methods can be used to guarantee long-term safety during and after training. Finally, we demonstrate the performance of the proposed techniques in numerical simulations.

Zhuoyuan Wang, Raffaele Romagnoli, Saviz Mowlavi et al. · cmu

Physics-informed machine learning offers a promising framework for solving complex partial differential equations (PDEs) by integrating observational data with governing physical laws. However, learning PDEs with varying parameters and changing initial conditions and boundary conditions (ICBCs) with theoretical guarantees remains an open challenge. In this paper, we propose physics-informed deep B-spline networks, a novel technique that approximates a family of PDEs with different parameters and ICBCs by learning B-spline control points through neural networks. The proposed B-spline representation reduces the learning task from predicting solution values over the entire domain to learning a compact set of control points, enforces strict compliance to initial and Dirichlet boundary conditions by construction, and enables analytical computation of derivatives for incorporating PDE residual losses. While existing approximation and generalization theories are not applicable in this setting - where solutions of parametrized PDE families are represented via B-spline bases - we fill this gap by showing that B-spline networks are universal approximators for such families under mild conditions. We also derive generalization error bounds for physics-informed learning in both elliptic and parabolic PDE settings, establishing new theoretical guarantees. Finally, we demonstrate in experiments that the proposed technique has improved efficiency-accuracy tradeoffs compared to existing techniques in a dynamical system problem with discontinuous ICBCs and can handle nonhomogeneous ICBCs and non-rectangular domains.

Lasse Hansen, Wiebke Heyer, Christoph Großbröhmer et al.

Medical image registration is critical for clinical applications, and fair benchmarking of different methods is essential for monitoring ongoing progress. To date, the Learn2Reg 2020-2023 challenges have released several complementary datasets and established metrics for evaluations. However, these editions did not capture all aspects of the registration problem, particularly in terms of modality diversity and task complexity. To address these limitations, the 2024 edition introduces three new tasks, including large-scale multi-modal registration and unsupervised inter-subject brain registration, as well as the first microscopy-focused benchmark within Learn2Reg. The new datasets also inspired new method developments, including invertibility constraints, pyramid features, keypoints alignment and instance optimisation.

Zhuoyuan Wang, Raffaele Romagnoli, Kamyar Azizzadenesheli et al. · cmu

Accurately quantifying long-term risk probabilities in diverse stochastic systems is essential for safety-critical control. However, existing sampling-based and partial differential equation (PDE)-based methods often struggle to handle complex varying dynamics. Physics-informed neural networks learn surrogate mappings for risk probabilities from varying system parameters of fixed and finite dimensions, yet can not account for functional variations in system dynamics. To address these challenges, we introduce physics-informed neural operator (PINO) methods to risk quantification problems, to learn mappings from varying \textit{functional} system dynamics to corresponding risk probabilities. Specifically, we propose Neural Spline Operators (NeSO), a PINO framework that leverages B-spline representations to improve training efficiency and achieve better initial and boundary condition enforcements, which are crucial for accurate risk quantification. We provide theoretical analysis demonstrating the universal approximation capability of NeSO. We also present two case studies, one with varying functional dynamics and another with high-dimensional multi-agent dynamics, to demonstrate the efficacy of NeSO and its significant online speed-up over existing methods. The proposed framework and the accompanying universal approximation theorem are expected to be beneficial for other control or PDE-related problems beyond risk quantification.

Haiqiao Wang, Hong Wu, Zhuoyuan Wang et al.

Prostate cancer (PCa) poses a significant threat to men's health, with early diagnosis being crucial for improving prognosis and reducing mortality rates. Transrectal ultrasound (TRUS) plays a vital role in the diagnosis and image-guided intervention of PCa.To facilitate physicians with more accurate and efficient computer-assisted diagnosis and interventions, many image processing algorithms in TRUS have been proposed and achieved state-of-the-art performance in several tasks, including prostate gland segmentation, prostate image registration, PCa classification and detection, and interventional needle detection. The rapid development of these algorithms over the past two decades necessitates a comprehensive summary. In consequence, this survey provides a \textcolor{blue}{narrative } analysis of this field, outlining the evolution of image processing methods in the context of TRUS image analysis and meanwhile highlighting their relevant contributions. Furthermore, this survey discusses current challenges and suggests future research directions to possibly advance this field further.

Zhuoyuan Wang, Yorie Nakahira

Accurate estimates of long-term risk probabilities and their gradients are critical for many stochastic safe control methods. However, computing such risk probabilities in real-time and in unseen or changing environments is challenging. Monte Carlo (MC) methods cannot accurately evaluate the probabilities and their gradients as an infinitesimal devisor can amplify the sampling noise. In this paper, we develop an efficient method to evaluate the probabilities of long-term risk and their gradients. The proposed method exploits the fact that long-term risk probability satisfies certain partial differential equations (PDEs), which characterize the neighboring relations between the probabilities, to integrate MC methods and physics-informed neural networks. We provide theoretical guarantees of the estimation error given certain choices of training configurations. Numerical results show the proposed method has better sample efficiency, generalizes well to unseen regions, and can adapt to systems with changing parameters. The proposed method can also accurately estimate the gradients of risk probabilities, which enables first- and second-order techniques on risk probabilities to be used for learning and control.

Wenjie Shi, Gao Huang, Shiji Song et al.

Deep reinforcement learning (RL) has recently led to many breakthroughs on a range of complex control tasks. However, the agent's decision-making process is generally not transparent. The lack of interpretability hinders the applicability of RL in safety-critical scenarios. While several methods have attempted to interpret vision-based RL, most come without detailed explanation for the agent's behavior. In this paper, we propose a self-supervised interpretable framework, which can discover interpretable features to enable easy understanding of RL agents even for non-experts. Specifically, a self-supervised interpretable network (SSINet) is employed to produce fine-grained attention masks for highlighting task-relevant information, which constitutes most evidence for the agent's decisions. We verify and evaluate our method on several Atari 2600 games as well as Duckietown, which is a challenging self-driving car simulator environment. The results show that our method renders empirical evidences about how the agent makes decisions and why the agent performs well or badly, especially when transferred to novel scenes. Overall, our method provides valuable insight into the internal decision-making process of vision-based RL. In addition, our method does not use any external labelled data, and thus demonstrates the possibility to learn high-quality mask through a self-supervised manner, which may shed light on new paradigms for label-free vision learning such as self-supervised segmentation and detection.