The dynamics of systems of many degrees of freedom evolving on multiple scales are often modeled in terms of stochastic differential equations. Usually the structural form of these equations is unknown and the only manifestation of the system's dynamics are observations at discrete points in time. Despite their widespread use, accurately inferring these systems from sparse-in-time observations remains challenging. Conventional inference methods either focus on the temporal structure of observations, neglecting the geometry of the system's invariant density, or use geometric approximations of the invariant density, which are limited to conservative driving forces. To address these limitations, here, we introduce a novel approach that reconciles these two perspectives. We propose a path augmentation scheme that employs data-driven control to account for the geometry of the invariant system's density. Non-parametric inference on the augmented paths, enables efficient identification of the underlying deterministic forces of systems observed at low sampling rates.
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The forecasting and computation of the stability of chaotic systems from partial observations are tasks for which traditional equation-based methods may not be suitable. In this computational paper, we propose data-driven methods to (i) infer the dynamics of unobserved (hidden) chaotic variables (full-state reconstruction); (ii) time forecast the evolution of the full state; and (iii) infer the stability properties of the full state. The tasks are performed with long short-term memory (LSTM) networks, which are trained with observations (data) limited to only part of the state: (i) the low-to-high resolution LSTM (LH-LSTM), which takes partial observations as training input, and requires access to the full system state when computing the loss; and (ii) the physics-informed LSTM (PI-LSTM), which is designed to combine partial observations with the integral formulation of the dynamical system's evolution equations. First, we derive the Jacobian of the LSTMs. Second, we analyse a chaotic partial differential equation, the Kuramoto-Sivashinsky (KS), and the Lorenz-96 system. We show that the proposed networks can forecast the hidden variables, both time-accurately and statistically. The Lyapunov exponents and covariant Lyapunov vectors, which characterize the stability of the chaotic attractors, are correctly inferred from partial observations. Third, the PI-LSTM outperforms the LH-LSTM by successfully reconstructing the hidden chaotic dynamics when the input dimension is smaller or similar to the Kaplan-Yorke dimension of the attractor. This work opens new opportunities for reconstructing the full state, inferring hidden variables, and computing the stability of chaotic systems from partial data.
Reasoning system dynamics is one of the most important analytical approaches for many scientific studies. With the initial state of a system as input, the recent graph neural networks (GNNs)-based methods are capable of predicting the future state distant in time with high accuracy. Although these methods have diverse designs in modeling the coordinates and interacting forces of the system, we show that they actually share a common paradigm that learns the integration of the velocity over the interval between the initial and terminal coordinates. However, their integrand is constant w.r.t. time. Inspired by this observation, we propose a new approach to predict the integration based on several velocity estimations with Newton-Cotes formulas and prove its effectiveness theoretically. Extensive experiments on several benchmarks empirically demonstrate consistent and significant improvement compared with the state-of-the-art methods.
Due to the diffusion of IoT, modern software systems are often thought to control and coordinate smart devices in order to manage assets and resources, and to guarantee efficient behaviours. For this class of systems, which interact extensively with humans and with their environment, it is thus crucial to guarantee their correct behaviour in order to avoid unexpected and possibly dangerous situations. In this paper we will present a framework that allows us to measure the robustness of systems. This is the ability of a program to tolerate changes in the environmental conditions and preserving the original behaviour. In the proposed framework, the interaction of a program with its environment is represented as a sequence of random variables describing how both evolve in time. For this reason, the considered measures will be defined among probability distributions of observed data. The proposed framework will be then used to define the notions of adaptability and reliability. The former indicates the ability of a program to absorb perturbation on environmental conditions after a given amount of time. The latter expresses the ability of a program to maintain its intended behaviour (up-to some reasonable tolerance) despite the presence of perturbations in the environment. Moreover, an algorithm, based on statistical inference, it proposed to evaluate the proposed metric and the aforementioned properties. Throughout the paper, two case studies are used to the describe and evaluate the proposed approach.
Physics is a field of science that has traditionally used the scientific method to answer questions about why natural phenomena occur and to make testable models that explain the phenomena. Discovering equations, laws and principles that are invariant, robust and causal explanations of the world has been fundamental in physical sciences throughout the centuries. Discoveries emerge from observing the world and, when possible, performing interventional studies in the system under study. With the advent of big data and the use of data-driven methods, causal and equation discovery fields have grown and made progress in computer science, physics, statistics, philosophy, and many applied fields. All these domains are intertwined and can be used to discover causal relations, physical laws, and equations from observational data. This paper reviews the concepts, methods, and relevant works on causal and equation discovery in the broad field of Physics and outlines the most important challenges and promising future lines of research. We also provide a taxonomy for observational causal and equation discovery, point out connections, and showcase a complete set of case studies in Earth and climate sciences, fluid dynamics and mechanics, and the neurosciences. This review demonstrates that discovering fundamental laws and causal relations by observing natural phenomena is being revolutionised with the efficient exploitation of observational data, modern machine learning algorithms and the interaction with domain knowledge. Exciting times are ahead with many challenges and opportunities to improve our understanding of complex systems.
In this paper, we tackle a critical issue in nonparametric inference for systems of interacting particles on Riemannian manifolds: the identifiability of the interaction functions. Specifically, we define the function spaces on which the interaction kernels can be identified given infinite i.i.d observational derivative data sampled from a distribution. Our methodology involves casting the learning problem as a linear statistical inverse problem using a operator theoretical framework. We prove the well-posedness of inverse problem by establishing the strict positivity of a related integral operator and our analysis allows us to refine the results on specific manifolds such as the sphere and Hyperbolic space. Our findings indicate that a numerically stable procedure exists to recover the interaction kernel from finite (noisy) data, and the estimator will be convergent to the ground truth. This also answers an open question in [MMQZ21] and demonstrate that least square estimators can be statistically optimal in certain scenarios. Finally, our theoretical analysis could be extended to the mean-field case, revealing that the corresponding nonparametric inverse problem is ill-posed in general and necessitates effective regularization techniques.
This study examines the identifiability of interaction kernels in mean-field equations of interacting particles or agents, an area of growing interest across various scientific and engineering fields. The main focus is identifying data-dependent function spaces where a quadratic loss functional possesses a unique minimizer. We consider two data-adaptive $L^2$ spaces: one weighted by a data-adaptive measure and the other using the Lebesgue measure. In each $L^2$ space, we show that the function space of identifiability is the closure of the RKHS associated with the integral operator of inversion. Alongside prior research, our study completes a full characterization of identifiability in interacting particle systems with either finite or infinite particles, highlighting critical differences between these two settings. Moreover, the identifiability analysis has important implications for computational practice. It shows that the inverse problem is ill-posed, necessitating regularization. Our numerical demonstrations show that the weighted $L^2$ space is preferable over the unweighted $L^2$ space, as it yields more accurate regularized estimators.
This paper studies the open problem of conformalized entry prediction in a row/column-exchangeable matrix. The matrix setting presents novel and unique challenges, but there exists little work on this interesting topic. We meticulously define the problem, differentiate it from closely related problems, and rigorously delineate the boundary between achievable and impossible goals. We then propose two practical algorithms. The first method provides a fast emulation of the full conformal prediction, while the second method leverages the technique of algorithmic stability for acceleration. Both methods are computationally efficient and can effectively safeguard coverage validity in presence of arbitrary missing pattern. Further, we quantify the impact of missingness on prediction accuracy and establish fundamental limit results. Empirical evidence from synthetic and real-world data sets corroborates the superior performance of our proposed methods.
The paper introduces DiSProD, an online planner developed for environments with probabilistic transitions in continuous state and action spaces. DiSProD builds a symbolic graph that captures the distribution of future trajectories, conditioned on a given policy, using independence assumptions and approximate propagation of distributions. The symbolic graph provides a differentiable representation of the policy's value, enabling efficient gradient-based optimization for long-horizon search. The propagation of approximate distributions can be seen as an aggregation of many trajectories, making it well-suited for dealing with sparse rewards and stochastic environments. An extensive experimental evaluation compares DiSProD to state-of-the-art planners in discrete-time planning and real-time control of robotic systems. The proposed method improves over existing planners in handling stochastic environments, sensitivity to search depth, sparsity of rewards, and large action spaces. Additional real-world experiments demonstrate that DiSProD can control ground vehicles and surface vessels to successfully navigate around obstacles.
Learning multi-agent dynamics is a core AI problem with broad applications in robotics and autonomous driving. While most existing works focus on deterministic prediction, producing probabilistic forecasts to quantify uncertainty and assess risks is critical for downstream decision-making tasks such as motion planning and collision avoidance. Multi-agent dynamics often contains internal symmetry. By leveraging symmetry, specifically rotation equivariance, we can improve not only the prediction accuracy but also uncertainty calibration. We introduce Energy Score, a proper scoring rule, to evaluate probabilistic predictions. We propose a novel deep dynamics model, Probabilistic Equivariant Continuous COnvolution (PECCO) for probabilistic prediction of multi-agent trajectories. PECCO extends equivariant continuous convolution to model the joint velocity distribution of multiple agents. It uses dynamics integration to propagate the uncertainty from velocity to position. On both synthetic and real-world datasets, PECCO shows significant improvements in accuracy and calibration compared to non-equivariant baselines.
How can we estimate the importance of nodes in a knowledge graph (KG)? A KG is a multi-relational graph that has proven valuable for many tasks including question answering and semantic search. In this paper, we present GENI, a method for tackling the problem of estimating node importance in KGs, which enables several downstream applications such as item recommendation and resource allocation. While a number of approaches have been developed to address this problem for general graphs, they do not fully utilize information available in KGs, or lack flexibility needed to model complex relationship between entities and their importance. To address these limitations, we explore supervised machine learning algorithms. In particular, building upon recent advancement of graph neural networks (GNNs), we develop GENI, a GNN-based method designed to deal with distinctive challenges involved with predicting node importance in KGs. Our method performs an aggregation of importance scores instead of aggregating node embeddings via predicate-aware attention mechanism and flexible centrality adjustment. In our evaluation of GENI and existing methods on predicting node importance in real-world KGs with different characteristics, GENI achieves 5-17% higher NDCG@100 than the state of the art.
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