Physically informed neural networks (PINNs) are a promising emerging method for solving differential equations. As in many other deep learning approaches, the choice of PINN design and training protocol requires careful craftsmanship. Here, we suggest a comprehensive theoretical framework that sheds light on this important problem. Leveraging an equivalence between infinitely over-parameterized neural networks and Gaussian process regression (GPR), we derive an integro-differential equation that governs PINN prediction in the large data-set limit -- the Neurally-Informed Equation (NIE). This equation augments the original one by a kernel term reflecting architecture choices and allows quantifying implicit bias induced by the network via a spectral decomposition of the source term in the original differential equation.
相關內容
Networking：IFIP International Conferences on Networking。
Explanation：國際網絡會議。
Publisher：IFIP。
SIT：
Interactive Design and Optics-Based Visualization of Arbitrary Non-Euclidean Kaleidoscopic Orbifolds
Orbifolds are a modern mathematical concept that arises in the research of hyperbolic geometry with applications in computer graphics and visualization. In this paper, we make use of rooms with mirrors as the visual metaphor for orbifolds. Given any arbitrary two-dimensional kaleidoscopic orbifold, we provide an algorithm to construct a Euclidean, spherical, or hyperbolic polygon to match the orbifold. This polygon is then used to create a room for which the polygon serves as the floor and the ceiling. With our system that implements M\"obius transformations, the user can interactively edit the scene and see the reflections of the edited objects. To correctly visualize non-Euclidean orbifolds, we adapt the rendering algorithms to account for the geodesics in these spaces, which light rays follow. Our interactive orbifold design system allows the user to create arbitrary two-dimensional kaleidoscopic orbifolds. In addition, our mirror-based orbifold visualization approach has the potential of helping our users gain insight on the orbifold, including its orbifold notation as well as its universal cover, which can also be the spherical space and the hyperbolic space.
Mesh degeneration is a bottleneck for fluid-structure interaction (FSI) simulations and for shape optimization via the method of mappings. In both cases, an appropriate mesh motion technique is required. The choice is typically based on heuristics, e.g., the solution operators of partial differential equations (PDE), such as the Laplace or biharmonic equation. Especially the latter, which shows good numerical performance for large displacements, is expensive. Moreover, from a continuous perspective, choosing the mesh motion technique is to a certain extent arbitrary and has no influence on the physically relevant quantities. Therefore, we consider approaches inspired by machine learning. We present a hybrid PDE-NN approach, where the neural network (NN) serves as parameterization of a coefficient in a second order nonlinear PDE. We ensure existence of solutions for the nonlinear PDE by the choice of the neural network architecture. Moreover, we present an approach where a neural network corrects the harmonic extension such that the boundary displacement is not changed. In order to avoid technical difficulties in coupling finite element and machine learning software, we work with a splitting of the monolithic FSI system into three smaller subsystems. This allows to solve the mesh motion equation in a separate step. We assess the quality of the learned mesh motion technique by applying it to a FSI benchmark problem.
With the rapid progress in Multi-Agent Path Finding (MAPF), researchers have studied how MAPF algorithms can be deployed to coordinate hundreds of robots in large automated warehouses. While most works try to improve the throughput of such warehouses by developing better MAPF algorithms, we focus on improving the throughput by optimizing the warehouse layout. We show that, even with state-of-the-art MAPF algorithms, commonly used human-designed layouts can lead to congestion for warehouses with large numbers of robots and thus have limited scalability. We extend existing automatic scenario generation methods to optimize warehouse layouts. Results show that our optimized warehouse layouts (1) reduce traffic congestion and thus improve throughput, (2) improve the scalability of the automated warehouses by doubling the number of robots in some cases, and (3) are capable of generating layouts with user-specified diversity measures. We include the source code at: //github.com/lunjohnzhang/warehouse_env_gen_public
For a wide range of applications the structure of systems like Neural Networks or complex simulations, is unknown and approximation is costly or even impossible. Black-box optimization seeks to find optimal (hyper-) parameters for these systems such that a pre-defined objective function is minimized. Polynomial-Model-Based Optimization (PMBO) is a novel blackbox optimizer that finds the minimum by fitting a polynomial surrogate to the objective function. Motivated by Bayesian optimization the model is iteratively updated according to the acquisition function Expected Improvement, thus balancing the exploitation and exploration rate and providing an uncertainty estimate of the model. PMBO is benchmarked against other state-of-the-art algorithms for a given set of artificial, analytical functions. PMBO competes successfully with those algorithms and even outperforms all of them in some cases. As the results suggest, we believe PMBO is the pivotal choice for solving blackbox optimization tasks occurring in a wide range of disciplines.
It is a highly desirable property for deep networks to be robust against small input changes. One popular way to achieve this property is by designing networks with a small Lipschitz constant. In this work, we propose a new technique for constructing such Lipschitz networks that has a number of desirable properties: it can be applied to any linear network layer (fully-connected or convolutional), it provides formal guarantees on the Lipschitz constant, it is easy to implement and efficient to run, and it can be combined with any training objective and optimization method. In fact, our technique is the first one in the literature that achieves all of these properties simultaneously. Our main contribution is a rescaling-based weight matrix parametrization that guarantees each network layer to have a Lipschitz constant of at most 1 and results in the learned weight matrices to be close to orthogonal. Hence we call such layers almost-orthogonal Lipschitz (AOL). Experiments and ablation studies in the context of image classification with certified robust accuracy confirm that AOL layers achieve results that are on par with most existing methods. Yet, they are simpler to implement and more broadly applicable, because they do not require computationally expensive matrix orthogonalization or inversion steps as part of the network architecture. We provide code at //github.com/berndprach/AOL.
Graph neural networks (GNNs) have been demonstrated to be a powerful algorithmic model in broad application fields for their effectiveness in learning over graphs. To scale GNN training up for large-scale and ever-growing graphs, the most promising solution is distributed training which distributes the workload of training across multiple computing nodes. However, the workflows, computational patterns, communication patterns, and optimization techniques of distributed GNN training remain preliminarily understood. In this paper, we provide a comprehensive survey of distributed GNN training by investigating various optimization techniques used in distributed GNN training. First, distributed GNN training is classified into several categories according to their workflows. In addition, their computational patterns and communication patterns, as well as the optimization techniques proposed by recent work are introduced. Second, the software frameworks and hardware platforms of distributed GNN training are also introduced for a deeper understanding. Third, distributed GNN training is compared with distributed training of deep neural networks, emphasizing the uniqueness of distributed GNN training. Finally, interesting issues and opportunities in this field are discussed.
The military is investigating methods to improve communication and agility in its multi-domain operations (MDO). Nascent popularity of Internet of Things (IoT) has gained traction in public and government domains. Its usage in MDO may revolutionize future battlefields and may enable strategic advantage. While this technology offers leverage to military capabilities, it comes with challenges where one is the uncertainty and associated risk. A key question is how can these uncertainties be addressed. Recently published studies proposed information camouflage to transform information from one data domain to another. As this is comparatively a new approach, we investigate challenges of such transformations and how these associated uncertainties can be detected and addressed, specifically unknown-unknowns to improve decision-making.
We consider the problem of explaining the predictions of graph neural networks (GNNs), which otherwise are considered as black boxes. Existing methods invariably focus on explaining the importance of graph nodes or edges but ignore the substructures of graphs, which are more intuitive and human-intelligible. In this work, we propose a novel method, known as SubgraphX, to explain GNNs by identifying important subgraphs. Given a trained GNN model and an input graph, our SubgraphX explains its predictions by efficiently exploring different subgraphs with Monte Carlo tree search. To make the tree search more effective, we propose to use Shapley values as a measure of subgraph importance, which can also capture the interactions among different subgraphs. To expedite computations, we propose efficient approximation schemes to compute Shapley values for graph data. Our work represents the first attempt to explain GNNs via identifying subgraphs explicitly and directly. Experimental results show that our SubgraphX achieves significantly improved explanations, while keeping computations at a reasonable level.
Graph neural networks (GNNs) have emerged as a powerful paradigm for embedding-based entity alignment due to their capability of identifying isomorphic subgraphs. However, in real knowledge graphs (KGs), the counterpart entities usually have non-isomorphic neighborhood structures, which easily causes GNNs to yield different representations for them. To tackle this problem, we propose a new KG alignment network, namely AliNet, aiming at mitigating the non-isomorphism of neighborhood structures in an end-to-end manner. As the direct neighbors of counterpart entities are usually dissimilar due to the schema heterogeneity, AliNet introduces distant neighbors to expand the overlap between their neighborhood structures. It employs an attention mechanism to highlight helpful distant neighbors and reduce noises. Then, it controls the aggregation of both direct and distant neighborhood information using a gating mechanism. We further propose a relation loss to refine entity representations. We perform thorough experiments with detailed ablation studies and analyses on five entity alignment datasets, demonstrating the effectiveness of AliNet.
Multi-relation Question Answering is a challenging task, due to the requirement of elaborated analysis on questions and reasoning over multiple fact triples in knowledge base. In this paper, we present a novel model called Interpretable Reasoning Network that employs an interpretable, hop-by-hop reasoning process for question answering. The model dynamically decides which part of an input question should be analyzed at each hop; predicts a relation that corresponds to the current parsed results; utilizes the predicted relation to update the question representation and the state of the reasoning process; and then drives the next-hop reasoning. Experiments show that our model yields state-of-the-art results on two datasets. More interestingly, the model can offer traceable and observable intermediate predictions for reasoning analysis and failure diagnosis, thereby allowing manual manipulation in predicting the final answer.
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