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Physics-inspired neural networks are proven to be an effective modeling method by giving more physically plausible results with less data dependency. However, their application in robotics is limited due to the non-conservative nature of robot dynamics and the difficulty in friction modeling. Moreover, these physics-inspired neural networks do not account for complex input matrices, such as those found in underactuated soft robots. This paper solves these problems by extending Lagrangian and Hamiltonian neural networks by including dissipation and a simplified input matrix. Additionally, the loss function is processed using the Runge-Kutta algorithm, circumventing the inaccuracies and environmental susceptibility inherent in direct acceleration measurements. First, the effectiveness of the proposed method is validated via simulations of soft and rigid robots. Then, the proposed approach is validated experimentally in a tendon-driven soft robot and a Panda robot. The simulations and experimental results show that the modified neural networks can model different robots while the learned model enables decent anticipatory control.

Deep Neural Networks are increasingly adopted in critical tasks that require a high level of safety, e.g., autonomous driving. While state-of-the-art verifiers can be employed to check whether a DNN is unsafe w.r.t. some given property (i.e., whether there is at least one unsafe input configuration), their yes/no output is not informative enough for other purposes, such as shielding, model selection, or training improvements. In this paper, we introduce the #DNN-Verification problem, which involves counting the number of input configurations of a DNN that result in a violation of a particular safety property. We analyze the complexity of this problem and propose a novel approach that returns the exact count of violations. Due to the #P-completeness of the problem, we also propose a randomized, approximate method that provides a provable probabilistic bound of the correct count while significantly reducing computational requirements. We present experimental results on a set of safety-critical benchmarks that demonstrate the effectiveness of our approximate method and evaluate the tightness of the bound.

Estimating the material distribution of Earth's subsurface is a challenging task in seismology and earthquake engineering. The recent development of physics-informed neural network (PINN) has shed new light on seismic inversion. In this paper, we present a PINN framework for seismic wave inversion in layered (1D) semi-infinite domain. The absorbing boundary condition is incorporated into the network as a soft regularizer for avoiding excessive computation. In specific, we design a lightweight network to learn the unknown material distribution and a deep neural network to approximate solution variables. The entire network is end-to-end and constrained by both sparse measurement data and the underlying physical laws (i.e., governing equations and initial/boundary conditions). Various experiments have been conducted to validate the effectiveness of our proposed approach for inverse modeling of seismic wave propagation in 1D semi-infinite domain.

The intersection of ground reaction forces near a point above the center of mass has been observed in computer simulation models and human walking experiments. Observed so ubiquitously, the intersection point (IP) is commonly assumed to provide postural stability for bipedal walking. In this study, we challenge this assumption by questioning if walking without an IP is possible. Deriving gaits with a neuromuscular reflex model through multi-stage optimization, we found stable walking patterns that show no signs of the IP-typical intersection of ground reaction forces. The non-IP gaits found are stable and successfully rejected step-down perturbations, which indicates that an IP is not necessary for locomotion robustness or postural stability. A collision-based analysis shows that non-IP gaits feature center of mass (CoM) dynamics with vectors of the CoM velocity and ground reaction force increasingly opposing each other, indicating an increased mechanical cost of transport. Although our computer simulation results have yet to be confirmed through experimental studies, they already indicate that the role of the IP in postural stability should be further investigated. Moreover, our observations on the CoM dynamics and gait efficiency suggest that the IP may have an alternative or additional function that should be considered.

Unpacking and comprehending how black-box machine learning algorithms make decisions has been a persistent challenge for researchers and end-users. Explaining time-series predictive models is useful for clinical applications with high stakes to understand the behavior of prediction models. However, existing approaches to explain such models are frequently unique to data where the features do not have a time-varying component. In this paper, we introduce WindowSHAP, a model-agnostic framework for explaining time-series classifiers using Shapley values. We intend for WindowSHAP to mitigate the computational complexity of calculating Shapley values for long time-series data as well as improve the quality of explanations. WindowSHAP is based on partitioning a sequence into time windows. Under this framework, we present three distinct algorithms of Stationary, Sliding and Dynamic WindowSHAP, each evaluated against baseline approaches, KernelSHAP and TimeSHAP, using perturbation and sequence analyses metrics. We applied our framework to clinical time-series data from both a specialized clinical domain (Traumatic Brain Injury - TBI) as well as a broad clinical domain (critical care medicine). The experimental results demonstrate that, based on the two quantitative metrics, our framework is superior at explaining clinical time-series classifiers, while also reducing the complexity of computations. We show that for time-series data with 120 time steps (hours), merging 10 adjacent time points can reduce the CPU time of WindowSHAP by 80% compared to KernelSHAP. We also show that our Dynamic WindowSHAP algorithm focuses more on the most important time steps and provides more understandable explanations. As a result, WindowSHAP not only accelerates the calculation of Shapley values for time-series data, but also delivers more understandable explanations with higher quality.

This paper explores the difficulties in solving partial differential equations (PDEs) using physics-informed neural networks (PINNs). PINNs use physics as a regularization term in the objective function. However, a drawback of this approach is the requirement for manual hyperparameter tuning, making it impractical in the absence of validation data or prior knowledge of the solution. Our investigations of the loss landscapes and backpropagated gradients in the presence of physics reveal that existing methods produce non-convex loss landscapes that are hard to navigate. Our findings demonstrate that high-order PDEs contaminate backpropagated gradients and hinder convergence. To address these challenges, we introduce a novel method that bypasses the calculation of high-order derivative operators and mitigates the contamination of backpropagated gradients. Consequently, we reduce the dimension of the search space and make learning PDEs with non-smooth solutions feasible. Our method also provides a mechanism to focus on complex regions of the domain. Besides, we present a dual unconstrained formulation based on Lagrange multiplier method to enforce equality constraints on the model's prediction, with adaptive and independent learning rates inspired by adaptive subgradient methods. We apply our approach to solve various linear and non-linear PDEs.

Diffusion models have emerged as a key pillar of foundation models in visual domains. One of their critical applications is to universally solve different downstream inverse tasks via a single diffusion prior without re-training for each task. Most inverse tasks can be formulated as inferring a posterior distribution over data (e.g., a full image) given a measurement (e.g., a masked image). This is however challenging in diffusion models since the nonlinear and iterative nature of the diffusion process renders the posterior intractable. To cope with this challenge, we propose a variational approach that by design seeks to approximate the true posterior distribution. We show that our approach naturally leads to regularization by denoising diffusion process (RED-Diff) where denoisers at different timesteps concurrently impose different structural constraints over the image. To gauge the contribution of denoisers from different timesteps, we propose a weighting mechanism based on signal-to-noise-ratio (SNR). Our approach provides a new variational perspective for solving inverse problems with diffusion models, allowing us to formulate sampling as stochastic optimization, where one can simply apply off-the-shelf solvers with lightweight iterates. Our experiments for image restoration tasks such as inpainting and superresolution demonstrate the strengths of our method compared with state-of-the-art sampling-based diffusion models.

Many real-world systems modeled using differential equations involve unknown or uncertain parameters. Standard approaches to address parameter estimation inverse problems in this setting typically focus on estimating constants; yet some unobservable system parameters may vary with time without known evolution models. In this work, we propose a novel approximation method inspired by the Fourier series to estimate time-varying parameters in deterministic dynamical systems modeled with ordinary differential equations. Using ensemble Kalman filtering in conjunction with Fourier series-based approximation models, we detail two possible implementation schemes for sequentially updating the time-varying parameter estimates given noisy observations of the system states. We demonstrate the capabilities of the proposed approach in estimating periodic parameters, both when the period is known and unknown, as well as non-periodic time-varying parameters of different forms with several computed examples using a forced harmonic oscillator. Results emphasize the importance of the frequencies and number of approximation model terms on the time-varying parameter estimates and corresponding dynamical system predictions.

The full deployment of autonomous driving systems on a worldwide scale requires that the self-driving vehicle be operated in a provably safe manner, i.e., the vehicle must be able to avoid collisions in any possible traffic situation. In this paper, we propose a framework based on Model Predictive Control (MPC) that endows the self-driving vehicle with the necessary safety guarantees. In particular, our framework ensures constraint satisfaction at all times, while tracking the reference trajectory as close as obstacles allow, resulting in a safe and comfortable driving behavior. To discuss the performance and real-time capability of our framework, we provide first an illustrative simulation example, and then we demonstrate the effectiveness of our framework in experiments with a real test vehicle.

The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.