Planning is the act of deliberative thinking before acting. It is based on a symbolic model of the world and the options to act in it, usually defined in function-free first-order logic. The task is to find a sequence of actions (a plan) that leads from a given current state to a desired goal state. The basic, purely physical description may be augmented with a partially ordered grammar-like structure (a Hierarchical Task Network or HTN), which can describe expert knowledge, or practical, legal, or operational requirements. In this talk, I will survey a variety of methods for automatically deriving plans using symbolic methods for planning -- from both my past and future research. These symbolic methods -- in some sense -- translate planning problems into other, simpler symbolic representations and reason over them to find plans. As a basis for these methods, I will firstly introduce relevant theoretical results on planning. First, I will discuss the expressive power of planning formalisms (ECAI'14, ICAPS'16) and second, the computational complexity of HTN planning and related tasks such as HTN plan verification, plan modification, and plan recognition (ICAPS'15, ICAPS'16). Based on these theoretical results, I will develop why SAT-based HTN planning is possible and how it can be implemented. To this end, I will survey several of my publications at top-tier conferences, including papers at ICAPS'17, AAAI'18, AAAI'19, IJCAI'19, AAAI'20, and ICAPS'21 -- in which I developed an highly SAT-based planner for HTN problems including the ability to find optimal plans as well as the grounding as a preprocessing step. Here I will also give an outlook on future developments and new ideas that I propose for SAT-based planning -- including the exploitation of structures in plan (e.g.\ landmarks or operator-counting constraints). Next, I will present the idea of expressing lifted classical planning as SAT (ICAPS'22). The resulting planner LiSAT was the first lifted SAT-based planner -- and proved highly efficient and outperformed all other lifted planners at the time of publication. Notably, LiSAT was the first planner (lifted or grounded) and still is the only one to solve the challenging OrganicSynthesis benchmark -- and could even prove optimality for all plans. I will also outline future ideas to further improve the efficiency of LiSAT. Lastly, I introduce the notion of planning with symbolic symbolic representations (AAAI'21 and ICAPS'23). Here one uses Binary Decision Diagrams to encode large sets of states efficiently. For expressing the additional structure encoded by HTNs, I show how BDDs can be suitably integrated into finite automata. Based on this representation, an efficient and optimal planning algorithm can be derived. Additionally, I show how this algorithm can be extended to also cover oversubscription planning.
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Flood mapping on Earth imagery is crucial for disaster management, but its efficacy is hampered by the lack of high-quality training labels. Given high-resolution Earth imagery with coarse and noisy training labels, a base deep neural network model, and a spatial knowledge base with label constraints, our problem is to infer the true high-resolution labels while training neural network parameters. Traditional methods are largely based on specific physical properties and thus fall short of capturing the rich domain constraints expressed by symbolic logic. Neural-symbolic models can capture rich domain knowledge, but existing methods do not address the unique spatial challenges inherent in flood mapping on high-resolution imagery. To fill this gap, we propose a spatial-logic-aware weakly supervised learning framework. Our framework integrates symbolic spatial logic inference into probabilistic learning in a weakly supervised setting. To reduce the time costs of logic inference on vast high-resolution pixels, we propose a multi-resolution spatial reasoning algorithm to infer true labels while training neural network parameters. Evaluations of real-world flood datasets show that our model outperforms several baselines in prediction accuracy. The code is available at https://github.com/spatialdatasciencegroup/SLWSL.
Fairness-awareness has emerged as an essential building block for the responsible use of artificial intelligence in real applications. In many cases, inequity in performance is due to the change in distribution over different regions. While techniques have been developed to improve the transferability of fairness, a solution to the problem is not always feasible with no samples from the new regions, which is a bottleneck for pure data-driven attempts. Fortunately, physics-based mechanistic models have been studied for many problems with major social impacts. We propose SimFair, a physics-guided fairness-aware learning framework, which bridges the data limitation by integrating physical-rule-based simulation and inverse modeling into the training design. Using temperature prediction as an example, we demonstrate the effectiveness of the proposed SimFair in fairness preservation.
Urban transformations have profound societal impact on both individuals and communities at large. Accurately assessing these shifts is essential for understanding their underlying causes and ensuring sustainable urban planning. Traditional measurements often encounter constraints in spatial and temporal granularity, failing to capture real-time physical changes. While street view imagery, capturing the heartbeat of urban spaces in a pedestrian point of view, can add as a high-definition, up-to-date, and on-the-ground visual proxy of urban change. We curate the largest street view time series dataset to date, and propose an end-to-end change detection model to effectively capture physical alterations in the built environment at scale. We demonstrate the effectiveness of our proposed method by benchmark comparisons with previous literature and implementing it at the city-wide level. Our approach has the potential to supplement existing dataset and serve as a fine-grained and accurate assessment of urban change.
Sea-level rise is a well-known consequence of climate change. Several studies have estimated the social and economic impact of the increase in extreme flooding. An efficient way to mitigate its consequences is the development of a flood alert and prediction system, based on high-resolution numerical models and robust sensing networks. However, current models use various simplifying assumptions that compromise accuracy to ensure solvability within a reasonable timeframe, hindering more regular and cost-effective forecasts for various locations along the shoreline. To address these issues, this work proposes a hybrid model for multimodal data processing that combines physics-based numerical simulations, data obtained from a network of sensors, and satellite images to provide refined wave and sea-surface height forecasts, with real results obtained in a critical location within the Port of Santos (the largest port in Latin America). Our approach exhibits faster convergence than data-driven models while achieving more accurate predictions. Moreover, the model handles irregularly sampled time series and missing data without the need for complex preprocessing mechanisms or data imputation while keeping low computational costs through a combination of time encoding, recurrent and graph neural networks. Enabling raw sensor data to be easily combined with existing physics-based models opens up new possibilities for accurate extreme storm tide events forecast systems that enhance community safety and aid policymakers in their decision-making processes.
Global Climate Models (GCMs) simulate low resolution climate projections on a global scale. The native resolution of GCMs is generally too low for societal-level decision-making. To enhance the spatial resolution, downscaling is often applied to GCM output. Statistical downscaling techniques, in particular, are well-established as a cost-effective approach. They require significantly less computational time than physics-based dynamical downscaling. In recent years, deep learning has gained prominence in statistical downscaling, demonstrating significantly lower error rates compared to traditional statistical methods. However, a drawback of regression-based deep learning techniques is their tendency to overfit to the mean sample intensity. Extreme values as a result are often underestimated. Problematically, extreme events have the largest societal impact. We propose Quantile-Regression-Ensemble (QRE), an innovative deep learning algorithm inspired by boosting methods. Its primary objective is to avoid trade-offs between fitting to sample means and extreme values by training independent models on a partitioned dataset. Our QRE is robust to redundant models and not susceptible to explosive ensemble weights, ensuring a reliable training process. QRE achieves lower Mean Squared Error (MSE) compared to various baseline models. In particular, our algorithm has a lower error for high-intensity precipitation events over New Zealand, highlighting the ability to represent extreme events accurately.
Water distribution systems (WDS) are an integral part of critical infrastructure which is pivotal to urban development. As 70% of the world's population will likely live in urban environments in 2050, efficient simulation and planning tools for WDS play a crucial role in reaching UN's sustainable developmental goal (SDG) 6 - "Clean water and sanitation for all". In this realm, we propose a novel and efficient machine learning emulator, more precisely, a physics-informed deep learning (DL) model, for hydraulic state estimation in WDS. Using a recursive approach, our model only needs a few graph convolutional neural network (GCN) layers and employs an innovative algorithm based on message passing. Unlike conventional machine learning tasks, the model uses hydraulic principles to infer two additional hydraulic state features in the process of reconstructing the available ground truth feature in an unsupervised manner. To the best of our knowledge, this is the first DL approach to emulate the popular hydraulic simulator EPANET, utilizing no additional information. Like most DL models and unlike the hydraulic simulator, our model demonstrates vastly faster emulation times that do not increase drastically with the size of the WDS. Moreover, we achieve high accuracy on the ground truth and very similar results compared to the hydraulic simulator as demonstrated through experiments on five real-world WDS datasets.
Optimal and safety-critical control are fundamental problems for stochastic systems, and are widely considered in real-world scenarios such as robotic manipulation and autonomous driving. In this paper, we consider the problem of efficiently finding optimal and safe control for high-dimensional systems. Specifically, we propose to use dimensionality reduction techniques from a comparison theorem for stochastic differential equations together with a generalizable physics-informed neural network to estimate the optimal value function and the safety probability of the system. The proposed framework results in substantial sample efficiency improvement compared to existing methods. We further develop an autoencoder-like neural network to automatically identify the low-dimensional features in the system to enhance the ease of design for system integration. We also provide experiments and quantitative analysis to validate the efficacy of the proposed method. Source code is available at https://github.com/jacobwang925/path-integral-PINN.
Incorporating symmetry as an inductive bias into multi-agent reinforcement learning (MARL) has led to improvements in generalization, data efficiency, and physical consistency. While prior research has succeeded in using perfect symmetry prior, the realm of partial symmetry in the multi-agent domain remains unexplored. To fill in this gap, we introduce the partially symmetric Markov game, a new subclass of the Markov game. We then theoretically show that the performance error introduced by utilizing symmetry in MARL is bounded, implying that the symmetry prior can still be useful in MARL even in partial symmetry situations. Motivated by this insight, we propose the Partial Symmetry Exploitation (PSE) framework that is able to adaptively incorporate symmetry prior in MARL under different symmetry-breaking conditions. Specifically, by adaptively adjusting the exploitation of symmetry, our framework is able to achieve superior sample efficiency and overall performance of MARL algorithms. Extensive experiments are conducted to demonstrate the superior performance of the proposed framework over baselines. Finally, we implement the proposed framework in real-world multi-robot testbed to show its superiority.
Efficiently modeling spatio-temporal (ST) physical processes and observations presents a challenging problem for the deep learning community. Many recent studies have concentrated on meticulously reconciling various advantages, leading to designed models that are neither simple nor practical. To address this issue, this paper presents a systematic study on existing shortcomings faced by off-the-shelf models, including lack of local fidelity, poor prediction performance over long time-steps, low scalability, and inefficiency. To systematically address the aforementioned problems, we propose an EarthFarseer, a concise framework that combines parallel local convolutions and global Fourier-based transformer architectures, enabling dynamically capture the local-global spatial interactions and dependencies. EarthFarseer also incorporates a multi-scale fully convolutional and Fourier architectures to efficiently and effectively capture the temporal evolution. Our proposal demonstrates strong adaptability across various tasks and datasets, with fast convergence and better local fidelity in long time-steps predictions. Extensive experiments and visualizations over eight human society physical and natural physical datasets demonstrates the state-of-the-art performance of EarthFarseer. We release our code at https://github.com/easylearningscores/EarthFarseer.
Molecular representation learning has emerged as a game-changer at the intersection of AI and chemistry, with great potential in applications such as drug design and materials discovery. A substantial obstacle in successfully applying molecular representation learning is the difficulty of effectively and completely characterizing and learning molecular geometry, which has not been well addressed to date. To overcome this challenge, we propose a novel framework that features a novel geometric graph, termed HAGO-Graph, and a specifically designed geometric graph learning model, HAGO-Net. In the framework, the foundation is HAGO-Graph, which enables a complete characterization of molecular geometry in a hierarchical manner. Specifically, we leverage the concept of n-body in physics to characterize geometric patterns at multiple spatial scales. We then specifically design a message passing scheme, HAGO-MPS, and implement the scheme as a geometric graph neural network, HAGO-Net, to effectively learn the representation of HAGO-Graph by horizontal and vertical aggregation. We further prove DHAGO-Net, the derivative function of HAGO-Net, is an equivariant model. The proposed models are validated by extensive comparisons on four challenging benchmarks. Notably, the models exhibited state-of-the-art performance in molecular chirality identification and property prediction, achieving state-of-the-art performance on five properties of QM9 dataset. The models also achieved competitive results on molecular dynamics prediction task.
Predicting the state evolution of ultra high-dimensional, time-reversible fluid dynamic systems is a crucial but computationally expensive task. Existing physics-informed neural networks either incur high inference cost or cannot preserve the time-reversible nature of the underlying dynamics system. We propose a model-based approach to identify low-dimensional, time reversible, nonlinear fluid dynamic systems. Our method utilizes the symplectic structure of reduced Eulerian fluid and use stochastic Riemann optimization to obtain a low-dimensional bases that minimize the expected trajectory-wise dimension-reduction error over a given distribution of initial conditions. We show that such minimization is well-defined since the reduced trajectories are differentiable with respect to the subspace bases over the entire Grassmannian manifold, under proper choices of timestep sizes and numerical integrators. Finally, we propose a loss function measuring the trajectory-wise discrepancy between the original and reduced models. By tensor precomputation, we show that gradient information of such loss function can be evaluated efficiently over a long trajectory without time-integrating the high-dimensional dynamic system. Through evaluations on a row of simulation benchmarks, we show that our method reduces the discrepancy by 50-90 percent over conventional reduced models and we outperform PINNs by exactly preserving the time reversibility.
A primary challenge of physics-informed machine learning (PIML) is its generalization beyond the training domain, especially when dealing with complex physical problems represented by partial differential equations (PDEs). This paper aims to enhance the generalization capabilities of PIML, facilitating practical, real-world applications where accurate predictions in unexplored regions are crucial. We leverage the inherent causality and temporal sequential characteristics of PDE solutions to fuse PIML models with recurrent neural architectures based on systems of ordinary differential equations, referred to as neural oscillators. Through effectively capturing long-time dependencies and mitigating the exploding and vanishing gradient problem, neural oscillators foster improved generalization in PIML tasks. Extensive experimentation involving time-dependent nonlinear PDEs and biharmonic beam equations demonstrates the efficacy of the proposed approach. Incorporating neural oscillators outperforms existing state-of-the-art methods on benchmark problems across various metrics. Consequently, the proposed method improves the generalization capabilities of PIML, providing accurate solutions for extrapolation and prediction beyond the training data.
Measuring Self-Supervised Representation Quality for Downstream Classification Using Discriminative Features
PDF ↗Self-supervised learning (SSL) has shown impressive results in downstream classification tasks. However, there is limited work in understanding their failure modes and interpreting their learned representations. In this paper, we study the representation space of state-of-the-art self-supervised models including SimCLR, SwaV, MoCo, BYOL, DINO, SimSiam, VICReg and Barlow Twins. Without the use of class label information, we discover discriminative features that correspond to unique physical attributes in images, present mostly in correctly-classified representations. Using these features, we can compress the representation space by up to$40% without significantly affecting linear classification performance. We then propose Self-Supervised Representation Quality Score (or Q-Score), an unsupervised score that can reliably predict if a given sample is likely to be mis-classified during linear evaluation, achieving AUPRC of 91.45 on ImageNet-100 and 78.78 on ImageNet-1K. Q-Score can also be used as a regularization term on pre-trained encoders to remedy low-quality representations. Fine-tuning with Q-Score regularization can boost the linear probing accuracy of SSL models by up to 5.8% on ImageNet-100 and 3.7% on ImageNet-1K compared to their baselines. Finally, using gradient heatmaps and Salient ImageNet masks, we define a metric to quantify the interpretability of each representation. We show that discriminative features are strongly correlated to core attributes and, enhancing these features through Q-score regularization makes SSL representations more interpretable.
Symbolic regression, as one of the most crucial tasks in AI for science, discovers governing equations from experimental data. Popular approaches based on genetic programming, Monte Carlo tree search, or deep reinforcement learning learn symbolic regression from a fixed dataset. These methods require massive datasets and long training time especially when learning complex equations involving many variables. Recently, Control Variable Genetic Programming (CVGP) has been introduced which accelerates the regression process by discovering equations from designed control variable experiments. However, the set of experiments is fixed a-priori in CVGP and we observe that sub-optimal selection of experiment schedules delay the discovery process significantly. To overcome this limitation, we propose Racing Control Variable Genetic Programming (Racing-CVGP), which carries out multiple experiment schedules simultaneously. A selection scheme similar to that used in selecting good symbolic equations in the genetic programming process is implemented to ensure that promising experiment schedules eventually win over the average ones. The unfavorable schedules are terminated early to save time for the promising ones. We evaluate Racing-CVGP on several synthetic and real-world datasets corresponding to true physics laws. We demonstrate that Racing-CVGP outperforms CVGP and a series of symbolic regressors which discover equations from fixed datasets.
Unified Framework for Diffusion Generative Models in SO(3): Applications in Computer Vision and Astrophysics
PDF ↗Diffusion-based generative models represent the current state-of-the-art for image generation. However, standard diffusion models are based on Euclidean geometry and do not translate directly to manifold-valued data. In this work, we develop extensions of both score-based generative models (SGMs) and Denoising Diffusion Probabilistic Models (DDPMs) to the Lie group of 3D rotations, SO(3). SO(3) is of particular interest in many disciplines such as robotics, biochemistry and astronomy/cosmology science. Contrary to more general Riemannian manifolds, SO(3) admits a tractable solution to heat diffusion, and allows us to implement efficient training of diffusion models. We apply both SO(3) DDPMs and SGMs to synthetic densities on SO(3) and demonstrate state-of-the-art results. Additionally, we demonstrate the practicality of our model on pose estimation tasks and in predicting correlated galaxy orientations for astrophysics/cosmology.
Selective Focus: Investigating Semantics Sensitivity in Post-training Quantization for Lane Detection
PDF ↗Lane detection (LD) plays a crucial role in enhancing the L2+ capabilities of autonomous driving, capturing widespread attention. The Post-Processing Quantization (PTQ) could facilitate the practical application of LD models, enabling fast speeds and limited memories without labeled data. However, prior PTQ methods do not consider the complex LD outputs that contain physical semantics, such as offsets, locations, etc., and thus cannot be directly applied to LD models. In this paper, we pioneeringly investigate semantic sensitivity to post-processing for lane detection with a novel Lane Distortion Score. Moreover, we identify two main factors impacting the LD performance after quantization, namely intra-head sensitivity and inter-head sensitivity, where a small quantization error in specific semantics can cause significant lane distortion. Thus, we propose a Selective Focus framework deployed with Semantic Guided Focus and Sensitivity Aware Selection modules, to incorporate post-processing information into PTQ reconstruction. Based on the observed intra-head sensitivity, Semantic Guided Focus is introduced to prioritize foreground-related semantics using a practical proxy. For inter-head sensitivity, we present Sensitivity Aware Selection, efficiently recognizing influential prediction heads and refining the optimization objectives at runtime. Extensive experiments have been done on a wide variety of models including keypoint-, anchor-, curve-, and segmentation-based ones. Our method produces quantized models in minutes on a single GPU and can achieve 6.4\% F1 Score improvement on the CULane dataset. Code and supplementary statement can be found at https://github.com/PannenetsF/SelectiveFocus.
Dynamics model learning deals with the task of inferring unknown dynamics from measurement data and predicting the future behavior of the system. A typical approach to address this problem is to train recurrent models. However, predictions with these models are often not physically meaningful. Further, they suffer from deteriorated behavior over time due to accumulating errors. Often, simulators building on first principles are available being physically meaningful by design. However, modeling simplifications typically cause inaccuracies in these models. Consequently, hybrid modeling is an emerging trend that aims to combine the best of both worlds. In this paper, we propose a new approach to hybrid modeling, where we inform the latent states of a learned model via a black-box simulator. This allows to control the predictions via the simulator preventing them from accumulating errors. This is especially challenging since, in contrast to previous approaches, access to the simulator's latent states is not available. We tackle the task by leveraging observers, a well-known concept from control theory, inferring unknown latent states from observations and dynamics over time. In our learning-based setting, we jointly learn the dynamics and an observer that infers the latent states via the simulator. Thus, the simulator constantly corrects the latent states, compensating for modeling mismatch caused by learning. To maintain flexibility, we train an RNN-based residuum for the latent states that cannot be informed by the simulator.
Many physical systems can be described as a continuous-time dynamical system. In practice, the true system is often unknown and has to be learned from measurement data. Since data is typically collected in discrete time, e.g. by sensors, most methods in Gaussian process (GP) dynamics model learning are trained on one-step ahead predictions. While this scheme is mathematically tempting, it can become problematic in several scenarios, e.g. if measurements are provided at irregularly-sampled time steps or physical system properties have to be conserved. Thus, we aim for a GP model of the true continuous-time dynamics. We tackle this task by leveraging higher-order numerical integrators. These integrators provide the necessary tools to discretize dynamical systems with arbitrary accuracy. However, most higher-order integrators require dynamics evaluations at intermediate time steps, making exact GP inference intractable. In previous work, this problem is often addressed by approximate inference techniques. However, exact GP inference is preferable in many scenarios, e.g. due to its mathematical guarantees. In order to enable direct inference, we propose to leverage multistep and Taylor integrators. We demonstrate how exact inference schemes can be derived for these types of integrators. Further, we derive tailored sampling schemes that allow one to draw consistent dynamics functions from the posterior. The learned model can thus be integrated with arbitrary integrators, just like a standard dynamical system. We show empirically and theoretically that our approach yields an accurate representation of the continuous-time system.
We propose a novel unsupervised method to autoregressively generate videos from a single frame and a sparse motion input. Our trained model can generate unseen realistic object-to-object interactions. Although our model has never been given the explicit segmentation and motion of each object in the scene during training, it is able to implicitly separate their dynamics and extents. Key components in our method are the randomized conditioning scheme, the encoding of the input motion control, and the randomized and sparse sampling to enable generalization to out of distribution but realistic correlations. Our model, which we call YODA, has therefore the ability to move objects without physically touching them. Through extensive qualitative and quantitative evaluations on several datasets, we show that YODA is on par with or better than state of the art video generation prior work in terms of both controllability and video quality.