Chengyang Ying

Zhongkai Hao, Zhengyi Wang, Hang Su et al. · tsinghua

Learning partial differential equations' (PDEs) solution operators is an essential problem in machine learning. However, there are several challenges for learning operators in practical applications like the irregular mesh, multiple input functions, and complexity of the PDEs' solution. To address these challenges, we propose a general neural operator transformer (GNOT), a scalable and effective transformer-based framework for learning operators. By designing a novel heterogeneous normalized attention layer, our model is highly flexible to handle multiple input functions and irregular meshes. Besides, we introduce a geometric gating mechanism which could be viewed as a soft domain decomposition to solve the multi-scale problems. The large model capacity of the transformer architecture grants our model the possibility to scale to large datasets and practical problems. We conduct extensive experiments on multiple challenging datasets from different domains and achieve a remarkable improvement compared with alternative methods. Our code and data are publicly available at \url{https://github.com/thu-ml/GNOT}.

Huayu Chen, Cheng Lu, Chengyang Ying et al. · tsinghua

In offline reinforcement learning, weighted regression is a common method to ensure the learned policy stays close to the behavior policy and to prevent selecting out-of-sample actions. In this work, we show that due to the limited distributional expressivity of policy models, previous methods might still select unseen actions during training, which deviates from their initial motivation. To address this problem, we adopt a generative approach by decoupling the learned policy into two parts: an expressive generative behavior model and an action evaluation model. The key insight is that such decoupling avoids learning an explicitly parameterized policy model with a closed-form expression. Directly learning the behavior policy allows us to leverage existing advances in generative modeling, such as diffusion-based methods, to model diverse behaviors. As for action evaluation, we combine our method with an in-sample planning technique to further avoid selecting out-of-sample actions and increase computational efficiency. Experimental results on D4RL datasets show that our proposed method achieves competitive or superior performance compared with state-of-the-art offline RL methods, especially in complex tasks such as AntMaze. We also empirically demonstrate that our method can successfully learn from a heterogeneous dataset containing multiple distinctive but similarly successful strategies, whereas previous unimodal policies fail.

Zhongkai Hao, Songming Liu, Yichi Zhang et al. · tsinghua

Recent advances of data-driven machine learning have revolutionized fields like computer vision, reinforcement learning, and many scientific and engineering domains. In many real-world and scientific problems, systems that generate data are governed by physical laws. Recent work shows that it provides potential benefits for machine learning models by incorporating the physical prior and collected data, which makes the intersection of machine learning and physics become a prevailing paradigm. By integrating the data and mathematical physics models seamlessly, it can guide the machine learning model towards solutions that are physically plausible, improving accuracy and efficiency even in uncertain and high-dimensional contexts. In this survey, we present this learning paradigm called Physics-Informed Machine Learning (PIML) which is to build a model that leverages empirical data and available physical prior knowledge to improve performance on a set of tasks that involve a physical mechanism. We systematically review the recent development of physics-informed machine learning from three perspectives of machine learning tasks, representation of physical prior, and methods for incorporating physical prior. We also propose several important open research problems based on the current trends in the field. We argue that encoding different forms of physical prior into model architectures, optimizers, inference algorithms, and significant domain-specific applications like inverse engineering design and robotic control is far from being fully explored in the field of physics-informed machine learning. We believe that the interdisciplinary research of physics-informed machine learning will significantly propel research progress, foster the creation of more effective machine learning models, and also offer invaluable assistance in addressing long-standing problems in related disciplines.

Songming Liu, Zhongkai Hao, Chengyang Ying et al. · tsinghua

We present a unified hard-constraint framework for solving geometrically complex PDEs with neural networks, where the most commonly used Dirichlet, Neumann, and Robin boundary conditions (BCs) are considered. Specifically, we first introduce the "extra fields" from the mixed finite element method to reformulate the PDEs so as to equivalently transform the three types of BCs into linear equations. Based on the reformulation, we derive the general solutions of the BCs analytically, which are employed to construct an ansatz that automatically satisfies the BCs. With such a framework, we can train the neural networks without adding extra loss terms and thus efficiently handle geometrically complex PDEs, alleviating the unbalanced competition between the loss terms corresponding to the BCs and PDEs. We theoretically demonstrate that the "extra fields" can stabilize the training process. Experimental results on real-world geometrically complex PDEs showcase the effectiveness of our method compared with state-of-the-art baselines.

Zhongkai Hao, Chengyang Ying, Yinpeng Dong et al. · tsinghua

Certified defenses such as randomized smoothing have shown promise towards building reliable machine learning systems against $\ell_p$-norm bounded attacks. However, existing methods are insufficient or unable to provably defend against semantic transformations, especially those without closed-form expressions (such as defocus blur and pixelate), which are more common in practice and often unrestricted. To fill up this gap, we propose generalized randomized smoothing (GSmooth), a unified theoretical framework for certifying robustness against general semantic transformations via a novel dimension augmentation strategy. Under the GSmooth framework, we present a scalable algorithm that uses a surrogate image-to-image network to approximate the complex transformation. The surrogate model provides a powerful tool for studying the properties of semantic transformations and certifying robustness. Experimental results on several datasets demonstrate the effectiveness of our approach for robustness certification against multiple kinds of semantic transformations and corruptions, which is not achievable by the alternative baselines.

Chengyang Ying, Xinning Zhou, Hang Su et al. · tsinghua

Though deep reinforcement learning (DRL) has obtained substantial success, it may encounter catastrophic failures due to the intrinsic uncertainty of both transition and observation. Most of the existing methods for safe reinforcement learning can only handle transition disturbance or observation disturbance since these two kinds of disturbance affect different parts of the agent; besides, the popular worst-case return may lead to overly pessimistic policies. To address these issues, we first theoretically prove that the performance degradation under transition disturbance and observation disturbance depends on a novel metric of Value Function Range (VFR), which corresponds to the gap in the value function between the best state and the worst state. Based on the analysis, we adopt conditional value-at-risk (CVaR) as an assessment of risk and propose a novel reinforcement learning algorithm of CVaR-Proximal-Policy-Optimization (CPPO) which formalizes the risk-sensitive constrained optimization problem by keeping its CVaR under a given threshold. Experimental results show that CPPO achieves a higher cumulative reward and is more robust against both observation and transition disturbances on a series of continuous control tasks in MuJoCo.

Zhongkai Hao, Chengyang Ying, Hang Su et al. · tsinghua

Deep learning based approaches like Physics-informed neural networks (PINNs) and DeepONets have shown promise on solving PDE constrained optimization (PDECO) problems. However, existing methods are insufficient to handle those PDE constraints that have a complicated or nonlinear dependency on optimization targets. In this paper, we present a novel bi-level optimization framework to resolve the challenge by decoupling the optimization of the targets and constraints. For the inner loop optimization, we adopt PINNs to solve the PDE constraints only. For the outer loop, we design a novel method by using Broyden's method based on the Implicit Function Theorem (IFT), which is efficient and accurate for approximating hypergradients. We further present theoretical explanations and error analysis of the hypergradients computation. Extensive experiments on multiple large-scale and nonlinear PDE constrained optimization problems demonstrate that our method achieves state-of-the-art results compared with strong baselines.

Chengyang Ying, You Qiaoben, Xinning Zhou et al. · tsinghua

Embodied agents in vision navigation coupled with deep neural networks have attracted increasing attention. However, deep neural networks have been shown vulnerable to malicious adversarial noises, which may potentially cause catastrophic failures in Embodied Vision Navigation. Among different adversarial noises, universal adversarial perturbations (UAP), i.e., a constant image-agnostic perturbation applied on every input frame of the agent, play a critical role in Embodied Vision Navigation since they are computation-efficient and application-practical during the attack. However, existing UAP methods ignore the system dynamics of Embodied Vision Navigation and might be sub-optimal. In order to extend UAP to the sequential decision setting, we formulate the disturbed environment under the universal noise $δ$, as a $δ$-disturbed Markov Decision Process ($δ$-MDP). Based on the formulation, we analyze the properties of $δ$-MDP and propose two novel Consistent Attack methods, named Reward UAP and Trajectory UAP, for attacking Embodied agents, which consider the dynamic of the MDP and calculate universal noises by estimating the disturbed distribution and the disturbed Q function. For various victim models, our Consistent Attack can cause a significant drop in their performance in the PointGoal task in Habitat with different datasets and different scenes. Extensive experimental results indicate that there exist serious potential risks for applying Embodied Vision Navigation methods to the real world.

Chengyang Ying, Zhongkai Hao, Xinning Zhou et al. · tsinghua

Importance sampling (IS) is a popular technique in off-policy evaluation, which re-weights the return of trajectories in the replay buffer to boost sample efficiency. However, training with IS can be unstable and previous attempts to address this issue mainly focus on analyzing the variance of IS. In this paper, we reveal that the instability is also related to a new notion of Reuse Bias of IS -- the bias in off-policy evaluation caused by the reuse of the replay buffer for evaluation and optimization. We theoretically show that the off-policy evaluation and optimization of the current policy with the data from the replay buffer result in an overestimation of the objective, which may cause an erroneous gradient update and degenerate the performance. We further provide a high-probability upper bound of the Reuse Bias, and show that controlling one term of the upper bound can control the Reuse Bias by introducing the concept of stability for off-policy algorithms. Based on these analyses, we finally present a novel Bias-Regularized Importance Sampling (BIRIS) framework along with practical algorithms, which can alleviate the negative impact of the Reuse Bias. Experimental results show that our BIRIS-based methods can significantly improve the sample efficiency on a series of continuous control tasks in MuJoCo.

Chengyang Ying, Xinning Zhou, Zhongkai Hao et al. · tsinghua

A long-standing goal of reinforcement learning is to acquire agents that can learn on training tasks and generalize well on unseen tasks that may share a similar dynamic but with different reward functions. The ability to generalize across tasks is important as it determines an agent's adaptability to real-world scenarios where reward mechanisms might vary. In this work, we first show that training a general world model can utilize similar structures in these tasks and help train more generalizable agents. Extending world models into the task generalization setting, we introduce a novel method named Task Aware Dreamer (TAD), which integrates reward-informed features to identify consistent latent characteristics across tasks. Within TAD, we compute the variational lower bound of sample data log-likelihood, which introduces a new term designed to differentiate tasks using their states, as the optimization objective of our reward-informed world models. To demonstrate the advantages of the reward-informed policy in TAD, we introduce a new metric called Task Distribution Relevance (TDR) which quantitatively measures the relevance of different tasks. For tasks exhibiting a high TDR, i.e., the tasks differ significantly, we illustrate that Markovian policies struggle to distinguish them, thus it is necessary to utilize reward-informed policies in TAD. Extensive experiments in both image-based and state-based tasks show that TAD can significantly improve the performance of handling different tasks simultaneously, especially for those with high TDR, and display a strong generalization ability to unseen tasks.

Zhongkai Hao, Chang Su, Songming Liu et al. · tsinghua

Pre-training has been investigated to improve the efficiency and performance of training neural operators in data-scarce settings. However, it is largely in its infancy due to the inherent complexity and diversity, such as long trajectories, multiple scales and varying dimensions of partial differential equations (PDEs) data. In this paper, we present a new auto-regressive denoising pre-training strategy, which allows for more stable and efficient pre-training on PDE data and generalizes to various downstream tasks. Moreover, by designing a flexible and scalable model architecture based on Fourier attention, we can easily scale up the model for large-scale pre-training. We train our PDE foundation model with up to 0.5B parameters on 10+ PDE datasets with more than 100k trajectories. Extensive experiments show that we achieve SOTA on these benchmarks and validate the strong generalizability of our model to significantly enhance performance on diverse downstream PDE tasks like 3D data. Code is available at \url{https://github.com/thu-ml/DPOT}.

Fengji Zhang, Xinyao Niu, Chengyang Ying et al. · tsinghua

Recent advances in Large Language Models (LLMs) and Reinforcement Learning (RL) have led to strong performance in open-domain question answering (QA). However, existing models still struggle with questions that admit multiple valid answers. Standard QA benchmarks, which typically assume a single gold answer, overlook this reality and thus produce inappropriate training signals. Existing attempts to handle ambiguity often rely on costly manual annotation, which is difficult to scale to multi-hop datasets such as HotpotQA and MuSiQue. In this paper, we present A$^2$Search, an annotation-free, end-to-end training framework to recognize and handle ambiguity. At its core is an automated pipeline that detects ambiguous questions and gathers alternative answers via trajectory sampling and evidence verification. The model is then optimized with RL using a carefully designed $\mathrm{AnsF1}$ reward, which naturally accommodates multiple answers. Experiments on eight open-domain QA benchmarks demonstrate that A$^2$Search achieves new state-of-the-art performance. With only a single rollout, A$^2$Search-7B yields an average $\mathrm{AnsF1}@1$ score of $48.4\%$ across four multi-hop benchmarks, outperforming all strong baselines, including the substantially larger ReSearch-32B ($46.2\%$). Extensive analyses further show that A$^2$Search resolves ambiguity and generalizes across benchmarks, highlighting that embracing ambiguity is essential for building more reliable QA systems. Our code, data, and model weights can be found at https://github.com/zfj1998/A2Search

Songming Liu, Zhongkai Hao, Chengyang Ying et al.

The neural operator has emerged as a powerful tool in learning mappings between function spaces in PDEs. However, when faced with real-world physical data, which are often highly non-uniformly distributed, it is challenging to use mesh-based techniques such as the FFT. To address this, we introduce the Non-Uniform Neural Operator (NUNO), a comprehensive framework designed for efficient operator learning with non-uniform data. Leveraging a K-D tree-based domain decomposition, we transform non-uniform data into uniform grids while effectively controlling interpolation error, thereby paralleling the speed and accuracy of learning from non-uniform data. We conduct extensive experiments on 2D elasticity, (2+1)D channel flow, and a 3D multi-physics heatsink, which, to our knowledge, marks a novel exploration into 3D PDE problems with complex geometries. Our framework has reduced error rates by up to 60% and enhanced training speeds by 2x to 30x. The code is now available at https://github.com/thu-ml/NUNO.

Lingdong Kong, Shaoyuan Xie, Hanjiang Hu et al. · tsinghua

In the realm of autonomous driving, robust perception under out-of-distribution conditions is paramount for the safe deployment of vehicles. Challenges such as adverse weather, sensor malfunctions, and environmental unpredictability can severely impact the performance of autonomous systems. The 2024 RoboDrive Challenge was crafted to propel the development of driving perception technologies that can withstand and adapt to these real-world variabilities. Focusing on four pivotal tasks -- BEV detection, map segmentation, semantic occupancy prediction, and multi-view depth estimation -- the competition laid down a gauntlet to innovate and enhance system resilience against typical and atypical disturbances. This year's challenge consisted of five distinct tracks and attracted 140 registered teams from 93 institutes across 11 countries, resulting in nearly one thousand submissions evaluated through our servers. The competition culminated in 15 top-performing solutions, which introduced a range of innovative approaches including advanced data augmentation, multi-sensor fusion, self-supervised learning for error correction, and new algorithmic strategies to enhance sensor robustness. These contributions significantly advanced the state of the art, particularly in handling sensor inconsistencies and environmental variability. Participants, through collaborative efforts, pushed the boundaries of current technologies, showcasing their potential in real-world scenarios. Extensive evaluations and analyses provided insights into the effectiveness of these solutions, highlighting key trends and successful strategies for improving the resilience of driving perception systems. This challenge has set a new benchmark in the field, providing a rich repository of techniques expected to guide future research in this field.

Chengyang Ying, Zhongkai Hao, Xinning Zhou et al. · tsinghua

Designing generalizable agents capable of adapting to diverse embodiments has achieved significant attention in Reinforcement Learning (RL), which is critical for deploying RL agents in various real-world applications. Previous Cross-Embodiment RL approaches have focused on transferring knowledge across embodiments within specific tasks. These methods often result in knowledge tightly coupled with those tasks and fail to adequately capture the distinct characteristics of different embodiments. To address this limitation, we introduce the notion of Cross-Embodiment Unsupervised RL (CEURL), which leverages unsupervised learning to enable agents to acquire embodiment-aware and task-agnostic knowledge through online interactions within reward-free environments. We formulate CEURL as a novel Controlled Embodiment Markov Decision Process (CE-MDP) and systematically analyze CEURL's pre-training objectives under CE-MDP. Based on these analyses, we develop a novel algorithm Pre-trained Embodiment-Aware Control (PEAC) for handling CEURL, incorporating an intrinsic reward function specifically designed for cross-embodiment pre-training. PEAC not only provides an intuitive optimization strategy for cross-embodiment pre-training but also can integrate flexibly with existing unsupervised RL methods, facilitating cross-embodiment exploration and skill discovery. Extensive experiments in both simulated (e.g., DMC and Robosuite) and real-world environments (e.g., legged locomotion) demonstrate that PEAC significantly improves adaptation performance and cross-embodiment generalization, demonstrating its effectiveness in overcoming the unique challenges of CEURL. The project page and code are in https://yingchengyang.github.io/ceurl.

Hengkai Tan, Xuezhou Xu, Chengyang Ying et al. · tsinghua

Learning a precise robotic grasping policy is crucial for embodied agents operating in complex real-world manipulation tasks. Despite significant advancements, most models still struggle with accurate spatial positioning of objects to be grasped. We first show that this spatial generalization challenge stems primarily from the extensive data requirements for adequate spatial understanding. However, collecting such data with real robots is prohibitively expensive, and relying on simulation data often leads to visual generalization gaps upon deployment. To overcome these challenges, we then focus on state-based policy generalization and present \textbf{ManiBox}, a novel bounding-box-guided manipulation method built on a simulation-based teacher-student framework. The teacher policy efficiently generates scalable simulation data using bounding boxes, which are proven to uniquely determine the objects' spatial positions. The student policy then utilizes these low-dimensional spatial states to enable zero-shot transfer to real robots. Through comprehensive evaluations in simulated and real-world environments, ManiBox demonstrates a marked improvement in spatial grasping generalization and adaptability to diverse objects and backgrounds. Further, our empirical study into scaling laws for policy performance indicates that spatial volume generalization scales with data volume in a power law. For a certain level of spatial volume, the success rate of grasping empirically follows Michaelis-Menten kinetics relative to data volume, showing a saturation effect as data increases. Our videos and code are available in https://thkkk.github.io/manibox.

Xiao Yang, Lingxuan Wu, Lizhong Wang et al. · tsinghua

Adversarial attacks in 3D environments have emerged as a critical threat to the reliability of visual perception systems, particularly in safety-sensitive applications such as identity verification and autonomous driving. These attacks employ adversarial patches and 3D objects to manipulate deep neural network (DNN) predictions by exploiting vulnerabilities within complex scenes. Existing defense mechanisms, such as adversarial training and purification, primarily employ passive strategies to enhance robustness. However, these approaches often rely on pre-defined assumptions about adversarial tactics, limiting their adaptability in dynamic 3D settings. To address these challenges, we introduce Reinforced Embodied Active Defense (Rein-EAD), a proactive defense framework that leverages adaptive exploration and interaction with the environment to improve perception robustness in 3D adversarial contexts. By implementing a multi-step objective that balances immediate prediction accuracy with predictive entropy minimization, Rein-EAD optimizes defense strategies over a multi-step horizon. Additionally, Rein-EAD involves an uncertainty-oriented reward-shaping mechanism that facilitates efficient policy updates, thereby reducing computational overhead and supporting real-world applicability without the need for differentiable environments. Comprehensive experiments validate the effectiveness of Rein-EAD, demonstrating a substantial reduction in attack success rates while preserving standard accuracy across diverse tasks. Notably, Rein-EAD exhibits robust generalization to unseen and adaptive attacks, making it suitable for real-world complex tasks, including 3D object classification, face recognition and autonomous driving.

Chengyang Ying, Huayu Chen, Xinning Zhou et al. · tsinghua

Unsupervised reinforcement learning (URL) aims to pre-train agents by exploring diverse states or skills in reward-free environments, facilitating efficient adaptation to downstream tasks. As the agent cannot access extrinsic rewards during unsupervised exploration, existing methods design intrinsic rewards to model the explored data and encourage further exploration. However, the explored data are always heterogeneous, posing the requirements of powerful representation abilities for both intrinsic reward models and pre-trained policies. In this work, we propose the Exploratory Diffusion Model (ExDM), which leverages the strong expressive ability of diffusion models to fit the explored data, simultaneously boosting exploration and providing an efficient initialization for downstream tasks. Specifically, ExDM can accurately estimate the distribution of collected data in the replay buffer with the diffusion model and introduces the score-based intrinsic reward, encouraging the agent to explore less-visited states. After obtaining the pre-trained policies, ExDM enables rapid adaptation to downstream tasks. In detail, we provide theoretical analyses and practical algorithms for fine-tuning diffusion policies, addressing key challenges such as training instability and computational complexity caused by multi-step sampling. Extensive experiments demonstrate that ExDM outperforms existing SOTA baselines in efficient unsupervised exploration and fast fine-tuning downstream tasks, especially in structurally complicated environments.

Xinning Zhou, Chengyang Ying, Yao Feng et al. · tsinghua

Visual reinforcement learning agents typically face serious performance declines in real-world applications caused by visual distractions. Existing methods rely on fine-tuning the policy's representations with hand-crafted augmentations. In this work, we propose Self-Consistent Model-based Adaptation (SCMA), a novel method that fosters robust adaptation without modifying the policy. By transferring cluttered observations to clean ones with a denoising model, SCMA can mitigate distractions for various policies as a plug-and-play enhancement. To optimize the denoising model in an unsupervised manner, we derive an unsupervised distribution matching objective with a theoretical analysis of its optimality. We further present a practical algorithm to optimize the objective by estimating the distribution of clean observations with a pre-trained world model. Extensive experiments on multiple visual generalization benchmarks and real robot data demonstrate that SCMA effectively boosts performance across various distractions and exhibits better sample efficiency.

You Qiaoben, Chengyang Ying, Xinning Zhou et al.

Deep reinforcement learning models are vulnerable to adversarial attacks that can decrease a victim's cumulative expected reward by manipulating the victim's observations. Despite the efficiency of previous optimization-based methods for generating adversarial noise in supervised learning, such methods might not be able to achieve the lowest cumulative reward since they do not explore the environmental dynamics in general. In this paper, we provide a framework to better understand the existing methods by reformulating the problem of adversarial attacks on reinforcement learning in the function space. Our reformulation generates an optimal adversary in the function space of the targeted attacks, repelling them via a generic two-stage framework. In the first stage, we train a deceptive policy by hacking the environment, and discover a set of trajectories routing to the lowest reward or the worst-case performance. Next, the adversary misleads the victim to imitate the deceptive policy by perturbing the observations. Compared to existing approaches, we theoretically show that our adversary is stronger under an appropriate noise level. Extensive experiments demonstrate our method's superiority in terms of efficiency and effectiveness, achieving the state-of-the-art performance in both Atari and MuJoCo environments.