ChebNet, one of the earliest spectral GNNs, has largely been overshadowed by Message Passing Neural Networks (MPNNs), which gained popularity for their simplicity and effectiveness in capturing local graph structure. Despite their success, MPNNs are limited in their ability to capture long-range dependencies between nodes. This has led researchers to adapt MPNNs through *rewiring* or make use of *Graph Transformers*, which compromise the computational efficiency that characterized early spatial message passing architectures, and typically disregard the graph structure. Almost a decade after its original introduction, we revisit ChebNet to shed light on its ability to model distant node interactions. We find that out-of-box, ChebNet already shows competitive advantages relative to classical MPNNs and GTs on long-range benchmarks, while maintaining good scalability properties for high-order polynomials. However, we uncover that this polynomial expansion leads ChebNet to an unstable regime during training. To address this limitation, we cast ChebNet as a stable and non-dissipative dynamical system, which we coin Stable-ChebNet. Our Stable-ChebNet model allows for stable information propagation, and has controllable dynamics which do not require the use of eigendecompositions, positional encodings, or graph rewiring. Across several benchmarks, Stable-ChebNet achieves near state-of-the-art performance.

The growing body of work on Physics-Informed Neural Networks (PINNs) seeks to use machine learning strategies to improve methods for solution discovery of Partial Differential Equations (PDEs). While classical solvers may remain the preferred tool of choice in the short-term, PINNs can be viewed as complementary. The expectation is that in some specific use cases, they can be effective, standalone. A key step in training PINNs is selecting domain points for loss evaluation, where Monte Carlo sampling remains the dominant but often suboptimal in low dimension settings, common in physics. We leverage recent advances in asymptotic expansions of quadrature nodes and weights (for weight functions belonging to the modified Gauss-Jacobi family) together with suitable adjustments for parameterization towards a data-driven framework for learnable quadrature rules. A direct benefit is a performance improvement of PINNs, relative to existing alternatives, on a wide range of problems studied in the literature. Beyond finding a standard solution for an instance of a single PDE, our construction enables learning rules to predict solutions for a given family of PDEs via hyper-networks, a useful capability for PINNs.

Expanding on neural operators, we propose a novel framework for stochastic process learning across arbitrary domains. In particular, we develop operator flow matching (OFM) for learning stochastic process priors on function spaces. OFM provides the probability density of the values of any collection of points and enables mathematically tractable functional regression at new points with mean and density estimation. Our method outperforms state-of-the-art models in stochastic process learning, functional regression, and prior learning.

We propose a general framework for conditional sampling in PDE-based inverse problems, targeting the recovery of whole solutions from extremely sparse or noisy measurements. This is accomplished by a function-space diffusion model and plug-and-play guidance for conditioning. Our method first trains an unconditional discretization-agnostic denoising model using neural operator architectures. At inference, we refine the samples to satisfy sparse observation data via a gradient-based guidance mechanism. Through rigorous mathematical analysis, we extend Tweedie's formula to infinite-dimensional Banach spaces, providing the theoretical foundation for our posterior sampling approach. Our method (FunDPS) accurately captures posterior distribution in function spaces under minimal supervision and severe data scarcity. Across five PDE tasks with only 3\% observation, our method achieves an average 32\% accuracy improvement over state-of-the-art fixed-resolution diffusion baselines while reducing sampling steps by 4x. Furthermore, multi-resolution fine-tuning ensures strong cross-resolution generalizability and speedup. To the best of our knowledge, this is the first diffusion-based framework to operate independently of discretization, offering a practical and flexible solution for forward and inverse problems in the context of PDEs. Code is available at https://github.com/neuraloperator/FunDPS.

Predictive models are often deployed for decision-making tasks for which they were not explicitly trained. When only partial observations of the relevant state are available, as in most real-world applications, there is a strong possibility of hidden confounding. Therefore, partial observability often makes the outcome of an action unidentifiable, and could render a model’s predictions unreliable for action planning. We present an identification bound and propose an algorithm to account for hidden confounding during model-predictive control. To that end, we introduce a generalized causal sensitivity model for action-state dynamics. We place a constraint on the hidden confounding between trajectories of future actions and states, enabling sharp bounds on interventional outcomes. Unlike previous sensitivity models, ours accommodates hidden confounding with memory, while maintaining computational and statistical tractability. We benchmark on a wide variety of multivariate stochastic differential equations with arbitrary confounding. The results suggest that a calibrated sensitivity model helps controllers achieve higher rewards.

Diffusion models have recently emerged as a powerful framework for generative modeling. They consist of a forward process that perturbs input data with Gaussian white noise and a reverse process that learns a score function to generate samples by denoising. Despite their tremendous success, they are mostly formulated on finite-dimensional spaces, e.g., Euclidean, limiting their applications to many domains where the data has a functional form, such as in scientific computing and 3D geometric data analysis. This work introduces a mathematically rigorous framework called Denoising Diffusion Operators (DDOs) for training diffusion models in function space. In DDOs, the forward process perturbs input functions gradually using a Gaussian process. The generative process is formulated by a function-valued annealed Langevin dynamic. Our approach requires an appropriate notion of the score for the perturbed data distribution, which we obtain by generalizing denoising score matching to function spaces that can be infinite-dimensional. We show that the corresponding discretized algorithm generates accurate samples at a fixed cost independent of the data resolution. We theoretically and numerically verify the applicability of our approach on a set of function-valued problems, including generating solutions to the Navier-Stokes equation viewed as the push-forward distribution of forcings from a Gaussian Random Field (GRF), as well as volcano InSAR and MNIST-SDF.

In standard reinforcement learning setups, the agent receives observations and performs actions at evenly spaced intervals. However, in many real-world settings, observations are expensive, forcing agents to commit to courses of action for designated periods of time. Consider that doctors, after each visit, typically set not only a treatment plan but also a follow-up date at which that plan might be revised. In this work, we formalize the setup of timing-as-an-action. Through theoretical analysis in the tabular setting, we show that while the choice of delay intervals could be naively folded in as part of a composite action, these actions have a special structure and handling them intelligently yields statistical advantages. Taking a model-based perspective, these gains owe to the fact that delay actions do not add any parameters to the underlying model. For model estimation, we provide provable sample-efficiency improvements, and our experiments demonstrate empirical improvements in both healthcare simulators and classical reinforcement learning environments.

We present a scalable and effective exploration strategy based on Thompson sampling for reinforcement learning (RL). One of the key shortcomings of existing Thompson sampling algorithms is the need to perform a Gaussian approximation of the posterior distribution, which is not a good surrogate in most practical settings. We instead directly sample the Q function from its posterior distribution, by using Langevin Monte Carlo, an efficient type of Markov Chain Monte Carlo (MCMC) method. Our method only needs to perform noisy gradient descent updates to learn the exact posterior distribution of the Q function, which makes our approach easy to deploy in deep RL. We provide a rigorous theoretical analysis for the proposed method and demonstrate that, in the linear Markov decision process (linear MDP) setting, it has a regret bound of $\tilde{O}(d^{3/2}H^{3/2}\sqrt{T})$, where $d$ is the dimension of the feature mapping, $H$ is the planning horizon, and $T$ is the total number of steps. We apply this approach to deep RL, by using Adam optimizer to perform gradient updates. Our approach achieves better or similar results compared with state-of-the-art deep RL algorithms on several challenging exploration tasks from the Atari57 suite.

Neural operators, such as Fourier Neural Operators (FNO), form a principled approach for learning solution operators for partial differential equations (PDE) and other mappings between function spaces. However, many real-world problems require high-resolution training data, and the training time and limited GPU memory pose big barriers. One solution is to train neural operators in mixed precision to reduce the memory requirement and increase training speed. However, existing mixed-precision training techniques are designed for standard neural networks, and we find that their direct application to FNO leads to numerical overflow and poor memory efficiency. Further, at first glance, it may appear that mixed precision in FNO will lead to drastic accuracy degradation since reducing the precision of the Fourier transform yields poor results in classical numerical solvers. We show that this is not the case; in fact, we prove that reducing the precision in FNO still guarantees a good approximation bound, when done in a targeted manner. Specifically, we build on the intuition that neural operator learning inherently induces an approximation error, arising from discretizing the infinite-dimensional ground-truth input function, implying that training in full precision is not needed. We formalize this intuition by rigorously characterizing the approximation and precision errors of FNO and bounding these errors for general input functions. We prove that the precision error is asymptotically comparable to the approximation error. Based on this, we design a simple method to optimize the memory-intensive half-precision tensor contractions by greedily finding the optimal contraction order. Through extensive experiments on different state-of-the-art neural operators, datasets, and GPUs, we demonstrate that our approach reduces GPU memory usage by up to 50% and improves throughput by 58% with little or no reduction in accuracy.

Neural operators learn mappings between function spaces, which is practical for learning solution operators of PDEs and other scientific modeling applications. Among them, the Fourier neural operator (FNO) is a popular architecture that performs global convolutions in the Fourier space. However, such global operations are often prone to over-smoothing and may fail to capture local details. In contrast, convolutional neural networks (CNN) can capture local features but are limited to training and inference at a single resolution. In this work, we present a principled approach to operator learning that can capture local features under two frameworks by learning differential operators and integral operators with locally supported kernels. Specifically, inspired by stencil methods, we prove that we obtain differential operators under an appropriate scaling of the kernel values of CNNs. To obtain local integral operators, we utilize suitable basis representations for the kernels based on discrete-continuous convolutions. Both these approaches preserve the properties of operator learning and, hence, the ability to predict at any resolution. Adding our layers to FNOs significantly improves their performance, reducing the relative L2-error by 34-72% in our experiments, which include a turbulent 2D Navier-Stokes and the spherical shallow water equations.

Modeling the complex three-dimensional (3D) dynamics of relational systems is an important problem in the natural sciences, with applications ranging from molecular simulations to particle mechanics. Machine learning methods have achieved good success by learning graph neural networks to model spatial interactions. However, these approaches do not faithfully capture temporal correlations since they only model next-step predictions. In this work, we propose Equivariant Graph Neural Operator (EGNO), a novel and principled method that directly models dynamics as trajectories instead of just next-step prediction. Different from existing methods, EGNO explicitly learns the temporal evolution of 3D dynamics where we formulate the dynamics as a function over time and learn neural operators to approximate it. To capture the temporal correlations while keeping the intrinsic SE(3)-equivariance, we develop equivariant temporal convolutions parameterized in the Fourier space and build EGNO by stacking the Fourier layers over equivariant networks. EGNO is the first operator learning framework that is capable of modeling solution dynamics functions over time while retaining 3D equivariance. Comprehensive experiments in multiple domains, including particle simulations, human motion capture, and molecular dynamics, demonstrate the significantly superior performance of EGNO against existing methods, thanks to the equivariant temporal modeling. Our code is available at https://github.com/MinkaiXu/egno.

Existing neural operator architectures face challenges when solving multiphysics problems with coupled partial differential equations (PDEs) due to complex geometries, interactions between physical variables, and the limited amounts of high-resolution training data. To address these issues, we propose *Codomain Attention Neural Operator* (CoDA-NO), which tokenizes functions along the codomain or channel space, enabling self-supervised learning or pretraining of multiple PDE systems. Specifically, we extend positional encoding, self-attention, and normalization layers to function spaces. CoDA-NO can learn representations of different PDE systems with a single model. We evaluate CoDA-NO's potential as a backbone for learning multiphysics PDEs over multiple systems by considering few-shot learning settings. On complex downstream tasks with limited data, such as fluid flow simulations, fluid-structure interactions, and Rayleigh-Bénard convection, we found CoDA-NO to outperform existing methods by over 36%.

We study the problem of convergence to a stationary point in zero-sum games. We propose competitive gradient optimization (CGO), a gradient-based method that incorporates the interactions between two players in zero-sum games for its iterative updates. We provide a continuous-time analysis of CGO and its convergence properties while showing that in the continuous limit, previous methods degenerate to their gradient descent ascent (GDA) variants. We further provide a rate of convergence to stationary points in the discrete-time setting. We propose a generalized class of $\alpha$-coherent functions and show that for strictly $\alpha$-coherent functions, CGO ensures convergence to a saddle point. Moreover, we propose optimistic CGO (oCGO), an optimistic variant, for which we show a convergence rate of $O(\frac{1}{n})$ to saddle points for $\alpha$-coherent functions.

Diffusion models have found widespread adoption in various areas. However, their sampling process is slow because it requires hundreds to thousands of network evaluations to emulate a continuous process defined by differential equations. In this work, we use neural operators, an efficient method to solve the probability flow differential equations, to accelerate the sampling process of diffusion models. Compared to other fast sampling methods that have a sequential nature, we are the first to propose a parallel decoding method that generates images with only one model forward pass. We propose diffusion model sampling with neural operator (DSNO) that maps the initial condition, i.e., Gaussian distribution, to the continuous-time solution trajectory of the reverse diffusion process. To model the temporal correlations along the trajectory, we introduce temporal convolution layers that are parameterized in the Fourier space into the given diffusion model backbone. We show our method achieves state-of-the-art FID of 3.78 for CIFAR-10 and 7.83 for ImageNet-64 in the one-model-evaluation setting.

We propose the geometry-informed neural operator (GINO), a highly efficient approach for learning the solution operator of large-scale partial differential equations with varying geometries. GINO uses a signed distance function (SDF) representation of the input shape and neural operators based on graph and Fourier architectures to learn the solution operator. The graph neural operator handles irregular grids and transforms them into and from regular latent grids on which Fourier neural operator can be efficiently applied. We provide an efficient implementation of GINO using an optimized hashing approach, which allows efficient learning in a shared, compressed latent space with reduced computation and memory costs. GINO is discretization-invariant, meaning the trained model can be applied to arbitrary discretizations of the continuous domain and applies to any shape or resolution. To empirically validate the performance of our method on large-scale simulation, we generate the industry-standard aerodynamics dataset of 3D vehicle geometries with Reynolds numbers as high as five million. For this large-scale 3D fluid simulation, numerical methods are expensive to compute surface pressure. We successfully trained GINO to predict the pressure on car surfaces using only five hundred data points. The cost-accuracy experiments show a 26,000x speed-up compared to optimized GPU-based computational fluid dynamics (CFD) simulators on computing the drag coefficient. When tested on new combinations of geometries and boundary conditions (inlet velocities), GINO obtains a one-fourth reduction in error rate compared to deep neural network approaches.

The classical development of neural networks has primarily focused on learning mappings between finite dimensional Euclidean spaces or finite sets. We propose a generalization of neural networks to learn operators, termed neural operators, that map between infinite dimensional function spaces. We formulate the neural operator as a composition of linear integral operators and nonlinear activation functions. We prove a universal approximation theorem for our proposed neural operator, showing that it can approximate any given nonlinear continuous operator. The proposed neural operators are also discretization-invariant, i.e., they share the same model parameters among different discretization of the underlying function spaces. Furthermore, we introduce four classes of efficient parameterization, viz., graph neural operators, multi-pole graph neural operators, low-rank neural operators, and Fourier neural operators. An important application for neural operators is learning surrogate maps for the solution operators of partial differential equations (PDEs). We consider standard PDEs such as the Burgers, Darcy subsurface flow, and the Navier-Stokes equations, and show that the proposed neural operators have superior performance compared to existing machine learning based methodologies, while being several orders of magnitude faster than conventional PDE solvers.

Seismic waveform modeling is a powerful tool for determining earth structure models and unraveling earthquake rupture processes, but it is usually computationally expensive. We introduce a scheme to vastly accelerate these calculations with a recently developed machine learning paradigm called the neural operator. Once trained, these models can simulate a full wavefield at negligible cost. We use a U-shaped neural operator to learn a general solution operator to the 2D elastic wave equation from an ensemble of numerical simulations performed with random velocity models and source locations. We show that full waveform modeling with neural operators is nearly two orders of magnitude faster than conventional numerical methods, and more importantly, the trained model enables accurate simulation for velocity models, source locations, and mesh discretization distinctly different from the training dataset. The method also enables convenient full-waveform inversion with automatic differentiation.

Addressing such diverse ends as mitigating safety risks, aligning agent behavior with human preferences, and improving the efficiency of learning, an emerging line of reinforcement learning research addresses the entire distribution of returns and various risk functionals that depend upon it. In the contextual bandit setting, recently work on off-policy risk assessment estimates the target policy’s CDF of returns, providing finite sample guarantees that extend to (and hold simultaneously over) plugin estimates of an arbitrarily large set of risk functionals. In this paper, we lift OPRA to Markov decision processes (MDPs), where importance sampling (IS) CDF estimators suffer high variance on longer trajectories due to vanishing (and exploding) importance weights. To mitigate these problems, we incorporate model-based estimation to develop the first doubly robust (DR) estimator for the CDF of returns in MDPs. The DR estimator enjoys significantly less variance and, when the model is well specified, achieves the Cramer-Rao variance lower bound. Moreover, for many risk functionals, the downstream estimates enjoy both lower bias and lower variance. Additionally, we derive the first minimax lower bounds for off-policy CDF and risk estimation, which match our error bounds up to a constant. Finally, we demonstrate the efficacy of our DR CDF estimates experimentally on several different environments.

In this work, we study model-based reinforcement learning (RL) in unknown stabilizable linear dynamical systems. When learning a dynamical system, one needs to stabilize the unknown dynamics in order to avoid system blow-ups. We propose an algorithm that certifies fast stabilization of the underlying system by effectively exploring the environment with an improved exploration strategy. We show that the proposed algorithm attains $\Tilde{\mathcal{O}}(\sqrt{T})$ regret after $T$ time steps of agent-environment interaction. We also show that the regret of the proposed algorithm has only a polynomial dependence in the problem dimensions, which gives an exponential improvement over the prior methods. Our improved exploration method is simple, yet efficient, and it combines a sophisticated exploration policy in RL with an isotropic exploration strategy to achieve fast stabilization and improved regret. We empirically demonstrate that the proposed algorithm outperforms other popular methods in several adaptive control tasks.

Thompson Sampling (TS) is an efficient method for decision-making under uncertainty, where an action is sampled from a carefully prescribed distribution which is updated based on the observed data. In this work, we study the problem of adaptive control of stabilizable linear-quadratic regulators (LQRs) using TS, where the system dynamics are unknown. Previous works have established that $\tilde{O}(\sqrt{T})$ frequentist regret is optimal for the adaptive control of LQRs. However, the existing methods either work only in restrictive settings, require a priori known stabilizing controllers or utilize computationally intractable approaches. We propose an efficient TS algorithm for the adaptive control of LQRs, TS-based Adaptive Control, TSAC, that attains $\tilde{O}(\sqrt{T})$ regret, even for multidimensional systems, thereby solving the open problem posed in Abeille and Lazaric (2018). TSAC does not require a priori known stabilizing controller and achieves fast stabilization of the underlying system by effectively exploring the environment in the early stages. Our result hinges on developing a novel lower bound on the probability that the TS provides an optimistic sample. By carefully prescribing an early exploration strategy and a policy update rule, we show that TS achieves order-optimal regret in adaptive control of multidimensional stabilizable LQRs. We empirically demonstrate the performance and the efficiency of the proposed algorithm in several adaptive control tasks.

We study the efficiency of Thompson sampling for contextual bandits. Existing Thompson sampling-based algorithms need to construct a Laplace approximation (i.e., a Gaussian distribution) of the posterior distribution, which is inefficient to sample in high dimensional applications for general covariance matrices. Moreover, the Gaussian approximation may not be a good surrogate for the posterior distribution for general reward generating functions. We propose an efficient posterior sampling algorithm, viz., Langevin Monte Carlo Thompson Sampling (LMC-TS), that uses Markov Chain Monte Carlo (MCMC) methods to directly sample from the posterior distribution in contextual bandits. Our method is computationally efficient since it only needs to perform noisy gradient descent updates without constructing the Laplace approximation of the posterior distribution. We prove that the proposed algorithm achieves the same sublinear regret bound as the best Thompson sampling algorithms for a special case of contextual bandits, viz., linear contextual bandits. We conduct experiments on both synthetic data and real-world datasets on different contextual bandit models, which demonstrates that directly sampling from the posterior is both computationally efficient and competitive in performance.

Standard uniform convergence results bound the generalization gap of the expected loss over a hypothesis class. The emergence of risk-sensitive learning requires generalization guarantees for functionals of the loss distribution beyond the expectation. While prior works specialize in uniform convergence of particular functionals, our work provides uniform convergence for a general class of Hölder risk functionals for which the closeness in the Cumulative Distribution Function (CDF) entails closeness in risk. We establish the first uniform convergence results for estimating the CDF of the loss distribution, which yield uniform convergence guarantees that hold simultaneously both over a class of Hölder risk functionals and over a hypothesis class. Thus licensed to perform empirical risk minimization, we develop practical gradient-based methods for minimizing distortion risks (widely studied subset of Hölder risks that subsumes the spectral risks, including the mean, conditional value at risk, cumulative prospect theory risks, and others) and provide convergence guarantees. In experiments, we demonstrate the efficacy of our learning procedure, both in settings where uniform convergence results hold and in high-dimensional settings with deep networks.

Chaotic systems are notoriously challenging to predict because of their sensitivity to perturbations and errors due to time stepping. Despite this unpredictable behavior, for many dissipative systems the statistics of the long term trajectories are governed by an invariant measure supported on a set, known as the global attractor; for many problems this set is finite dimensional, even if the state space is infinite dimensional. For Markovian systems, the statistical properties of long-term trajectories are uniquely determined by the solution operator that maps the evolution of the system over arbitrary positive time increments. In this work, we propose a machine learning framework to learn the underlying solution operator for dissipative chaotic systems, showing that the resulting learned operator accurately captures short-time trajectories and long-time statistical behavior. Using this framework, we are able to predict various statistics of the invariant measure for the turbulent Kolmogorov Flow dynamics with Reynolds numbers up to $5000$.

We consider the problem where $N$ agents collaboratively interact with an instance of a stochastic $K$ arm bandit problem for $K \gg N$. The agents aim to simultaneously minimize the cumulative regret over all the agents for a total of $T$ time steps, the number of communication rounds, and the number of bits in each communication round. We present Limited Communication Collaboration - Upper Confidence Bound (LCC-UCB), a doubling-epoch based algorithm where each agent communicates only after the end of the epoch and shares the index of the best arm it knows. With our algorithm, LCC-UCB, each agent enjoys a regret of $\tilde{O}\left(\sqrt{({K/N}+ N)T}\right)$, communicates for $O(\log T)$ steps and broadcasts $O(\log K)$ bits in each communication step. We extend the work to sparse graphs with maximum degree $K_G$ and diameter $D$ to propose LCC-UCB-GRAPH which enjoys a regret bound of $\tilde{O}\left(D\sqrt{(K/N+ K_G)DT}\right)$. Finally, we empirically show that the LCC-UCB and the LCC-UCB-GRAPH algorithms perform well and outperform strategies that communicate through a central node.

We study generalization under labeled shift for categorical and general normed label spaces. We propose a series of methods to estimate the importance weights from labeled source to unlabeled target domain and provide confidence bounds for these estimators. We deploy these estimators and provide generalization bounds in the unlabeled target domain.

Even when unable to run experiments, practitioners can evaluate prospective policies, using previously logged data. However, while the bandits literature has adopted a diverse set of objectives, most research on off-policy evaluation to date focuses on the expected reward. In this paper, we introduce Lipschitz risk functionals, a broad class of objectives that subsumes conditional value-at-risk (CVaR), variance, mean-variance, many distorted risks, and CPT risks, among others. We propose Off-Policy Risk Assessment (OPRA), a framework that first estimates a target policy's CDF and then generates plugin estimates for any collection of Lipschitz risks, providing finite sample guarantees that hold simultaneously over the entire class. We instantiate OPRA with both importance sampling and doubly robust estimators. Our primary theoretical contributions are (i) the first uniform concentration inequalities for both CDF estimators in contextual bandits and (ii) error bounds on our Lipschitz risk estimates, which all converge at a rate of $O(1/\sqrt{n})$.

We present an online multi-task learning approach for adaptive nonlinear control, which we call Online Meta-Adaptive Control (OMAC). The goal is to control a nonlinear system subject to adversarial disturbance and unknown \emph{environment-dependent} nonlinear dynamics, under the assumption that the environment-dependent dynamics can be well captured with some shared representation. Our approach is motivated by robot control, where a robotic system encounters a sequence of new environmental conditions that it must quickly adapt to. A key emphasis is to integrate online representation learning with established methods from control theory, in order to arrive at a unified framework that yields both control-theoretic and learning-theoretic guarantees. We provide instantiations of our approach under varying conditions, leading to the first non-asymptotic end-to-end convergence guarantee for multi-task nonlinear control. OMAC can also be integrated with deep representation learning. Experiments show that OMAC significantly outperforms conventional adaptive control approaches which do not learn the shared representation, in inverted pendulum and 6-DoF drone control tasks under varying wind conditions.

A core challenge in policy optimization in competitive Markov decision processes is the design of efficient optimization methods with desirable convergence and stability properties. We propose competitive policy optimization (CoPO), a novel policy gradient approach that exploits the game-theoretic nature of competitive games to derive policy updates. Motivated by the competitive gradient optimization method, we derive a bilinear approximation of the game objective. In contrast, off-the-shelf policy gradient methods utilize only linear approximations, and hence do not capture players’ interactions. We instantiate CoPO in two ways: (i) competitive policy gradient, and (ii) trust-region competitive policy optimization. We theoretically study these methods, and empirically investigate their behavior on a set of comprehensive, yet challenging, competitive games. We observe that they provide stable optimization, convergence to sophisticated strategies, and higher scores when played against baseline policy gradient methods.

The recent deep learning revolution has created enormous opportunities for accelerating compute capabilities in the context of physics-based simulations. In this article, we propose EikoNet, a deep learning approach to solving the Eikonal equation, which characterizes the first-arrival-time field in heterogeneous 3-D velocity structures. Our grid-free approach allows for rapid determination of the travel time between any two points within a continuous 3-D domain. These travel time solutions are allowed to violate the differential equation—which casts the problem as one of optimization—with the goal of finding network parameters that minimize the degree to which the equation is violated. In doing so, the method exploits the differentiability of neural networks to calculate the spatial gradients analytically, meaning that the network can be trained on its own without ever needing solutions from a finite-difference algorithm. EikoNet is rigorously tested on several velocity models and sampling methods to demonstrate robustness and versatility. Training and inference are highly parallelized, making the approach well-suited for GPUs. EikoNet has low memory overhead and further avoids the need for travel-time lookup tables. The developed approach has important applications to earthquake hypocenter inversion, ray multipathing, and tomographic modeling, as well as to other fields beyond seismology where ray tracing is essential.

We study the problem of system identification and adaptive control in partially observable linear dynamical systems. Adaptive and closed-loop system identification is a challenging problem due to correlations introduced in data collection. In this paper, we present the first model estimation method with finite-time guarantees in both open and closed-loop system identification. Deploying this estimation method, we propose adaptive control online learning (AdapOn), an efficient reinforcement learning algorithm that adaptively learns the system dynamics and continuously updates its controller through online learning steps. AdapOn estimates the model dynamics by occasionally solving a linear regression problem through interactions with the environment. Using policy re-parameterization and the estimated model, AdapOn constructs counterfactual loss functions to be used for updating the controller through online gradient descent. Over time, AdapOn improves its model estimates and obtains more accurate gradient updates to improve the controller. We show that AdapOn achieves a regret upper bound of $\text{polylog}\left(T\right)$, after $T$ time steps of agent-environment interaction. To the best of our knowledge, AdapOn is the first algorithm that achieves $\text{polylog}\left(T\right)$ regret in adaptive control of \textit{unknown} partially observable linear dynamical systems which includes linear quadratic Gaussian (LQG) control.

One of the main challenges in using deep learning-based methods for simulating physical systems and solving partial differential equations (PDEs) is formulating physics-based data in the desired structure for neural networks. Graph neural networks (GNNs) have gained popularity in this area since graphs offer a natural way of modeling particle interactions and provide a clear way of discretizing the continuum models. However, the graphs constructed for approximating such tasks usually ignore long-range interactions due to unfavorable scaling of the computational complexity with respect to the number of nodes. The errors due to these approximations scale with the discretization of the system, thereby not allowing for generalization under mesh-refinement. Inspired by the classical multipole methods, we purpose a novel multi-level graph neural network framework that captures interaction at all ranges with only linear complexity. Our multi-level formulation is equivalent to recursively adding inducing points to the kernel matrix, unifying GNNs with multi-resolution matrix factorization of the kernel. Experiments confirm our multi-graph network learns discretization-invariant solution operators to PDEs and can be evaluated in linear time.

We propose MESHFREEFLOWNET, a novel deep learning-based super-resolution framework to generate continuous (grid-free) spatio-temporal solutions from the low-resolution inputs. While being computationally efficient, MESHFREEFLOWNET accurately recovers the fine-scale quantities of interest. MESHFREEFLOWNET allows for: (i) the output to be sampled at all spatio-temporal resolutions, (ii) a set of Partial Differential Equation (PDE) constraints to be imposed, and (iii) training on fixed-size inputs on arbitrarily sized spatio-temporal domains owing to its fully convolutional encoder. We empirically study the performance of MESHFREEFLOWNET on the task of super-resolution of turbulent flows in the Rayleigh-Bénard convection problem. Across a diverse set of evaluation metrics, we show that MESHFREEFLOWNET significantly outperforms existing baselines. Furthermore, we provide a large scale implementation of MESHFREEFLOWNET and show that it efficiently scales across large clusters, achieving 96.80% scaling efficiency on up to 128 GPUs and a training time of less than 4 minutes. We provide an opensource implementation of our method that supports arbitrary combinations of PDE constraints.

Precise near-ground trajectory control is difficult for multi-rotor drones, due to the complex aerodynamic effects caused by interactions between multi-rotor airflow and the environment. Conventional control methods often fail to properly account for these complex effects and fall short in accomplishing smooth landing. In this paper, we present a novel deep-learning-based robust nonlinear controller (Neural-Lander) that improves control performance of a quadrotor during landing. Our approach combines a nominal dynamics model with a Deep Neural Network (DNN) that learns high-order interactions. We apply spectral normalization (SN) to constrain the Lipschitz constant of the DNN. Leveraging this Lipschitz property, we design a nonlinear feedback linearization controller using the learned model and prove system stability with disturbance rejection. To the best of our knowledge, this is the first DNN-based nonlinear feedback controller with stability guarantees that can utilize arbitrarily large neural nets. Experimental results demonstrate that the proposed controller significantly outperforms a Baseline Nonlinear Tracking Controller in both landing and cross-table trajectory tracking cases. We also empirically show that the DNN generalizes well to unseen data outside the training domain.

Training large neural networks requires distributing learning across multiple workers, where the cost of communicating gradients can be a significant bottleneck. signSGD alleviates this problem by transmitting just the sign of each minibatch stochastic gradient. We prove that it can get the best of both worlds: compressed gradients and SGD-level convergence rate. The relative $\ell_1/\ell_2$ geometry of gradients, noise and curvature informs whether signSGD or SGD is theoretically better suited to a particular problem. On the practical side we find that the momentum counterpart of signSGD is able to match the accuracy and convergence speed of Adam on deep Imagenet models. We extend our theory to the distributed setting, where the parameter server uses majority vote to aggregate gradient signs from each worker enabling 1-bit compression of worker-server communication in both directions. Using a theorem by Gauss we prove that majority vote can achieve the same reduction in variance as full precision distributed SGD. Thus, there is great promise for sign-based optimisation schemes to achieve fast communication and fast convergence. Code to reproduce experiments is to be found at https://github.com/jxbz/signSGD.

We propose a new reinforcement learning algorithm for partially observable Markov decision processes (POMDP) based on spectral decomposition methods. While spectral methods have been previously employed for consistent learning of (passive) latent variable models such as hidden Markov models, POMDPs are more challenging since the learner interacts with the environment and possibly changes the future observations in the process. We devise a learning algorithm running through episodes, in each episode we employ spectral techniques to learn the POMDP parameters from a trajectory generated by a fixed policy. At the end of the episode, an optimization oracle returns the optimal memoryless planning policy which maximizes the expected reward based on the estimated POMDP model. We prove an order-optimal regret bound w.r.t. the optimal memoryless policy and efficient scaling with respect to the dimensionality of observation and action spaces.

Planning plays an important role in the broad class of decision theory. Planning has drawn much attention in recent work in the robotics and sequential decision making areas. Recently, Reinforcement Learning (RL), as an agent-environment interaction problem, has brought further attention to planning methods. Generally in RL, one can assume a generative model, e.g. graphical models, for the environment, and then the task for the RL agent is to learn the model parameters and find the optimal strategy based on these learnt parameters. Based on environment behavior, the agent can assume various types of generative models, e.g. Multi Armed Bandit for a static environment, or Markov Decision Process (MDP) for a dynamic environment. The advantage of these popular models is their simplicity, which results in tractable methods of learning the parameters and finding the optimal policy. The drawback of these models is again their simplicity: these models usually underfit and underestimate the actual environment behavior. For example, in robotics, the agent usually has noisy observations of the environment inner state and MDP is not a suitable model. More complex models like Partially Observable Markov Decision Process (POMDP) can compensate for this drawback. Fitting this model to the environment, where the partial observation is given to the agent, generally gives dramatic performance improvement, sometimes unbounded improvement, compared to MDP. In general, finding the optimal policy for the POMDP model is computationally intractable and fully non convex, even for the class of memoryless policies. The open problem is to come up with a method to find an exact or an approximate optimal stochastic memoryless policy for POMDP models.