A Boxology of Design Patterns for Hybrid Learning and Reasoning Systems

We propose a set of compositional design patterns to describe a large variety of systems that combine statistical techniques from machine learning with symbolic techniques from knowledge representation. As in other areas of computer science (knowledge engineering, software engineering, ontology engineering, process mining and others), such design patterns help to systematize the literature, clarify which combinations of techniques serve which purposes, and encourage re-use of software components. We have validated our set of compositional design patterns against a large body of recent literature.Comment: 12 pages,55 reference

Simulation Intelligence: Towards a New Generation of Scientific Methods

The original "Seven Motifs" set forth a roadmap of essential methods for the field of scientific computing, where a motif is an algorithmic method that captures a pattern of computation and data movement. We present the "Nine Motifs of Simulation Intelligence", a roadmap for the development and integration of the essential algorithms necessary for a merger of scientific computing, scientific simulation, and artificial intelligence. We call this merger simulation intelligence (SI), for short. We argue the motifs of simulation intelligence are interconnected and interdependent, much like the components within the layers of an operating system. Using this metaphor, we explore the nature of each layer of the simulation intelligence operating system stack (SI-stack) and the motifs therein: (1) Multi-physics and multi-scale modeling; (2) Surrogate modeling and emulation; (3) Simulation-based inference; (4) Causal modeling and inference; (5) Agent-based modeling; (6) Probabilistic programming; (7) Differentiable programming; (8) Open-ended optimization; (9) Machine programming. We believe coordinated efforts between motifs offers immense opportunity to accelerate scientific discovery, from solving inverse problems in synthetic biology and climate science, to directing nuclear energy experiments and predicting emergent behavior in socioeconomic settings. We elaborate on each layer of the SI-stack, detailing the state-of-art methods, presenting examples to highlight challenges and opportunities, and advocating for specific ways to advance the motifs and the synergies from their combinations. Advancing and integrating these technologies can enable a robust and efficient hypothesis-simulation-analysis type of scientific method, which we introduce with several use-cases for human-machine teaming and automated science

DefGraspNets: Grasp Planning on 3D Fields with Graph Neural Nets

Robotic grasping of 3D deformable objects is critical for real-world applications such as food handling and robotic surgery. Unlike rigid and articulated objects, 3D deformable objects have infinite degrees of freedom. Fully defining their state requires 3D deformation and stress fields, which are exceptionally difficult to analytically compute or experimentally measure. Thus, evaluating grasp candidates for grasp planning typically requires accurate, but slow 3D finite element method (FEM) simulation. Sampling-based grasp planning is often impractical, as it requires evaluation of a large number of grasp candidates. Gradient-based grasp planning can be more efficient, but requires a differentiable model to synthesize optimal grasps from initial candidates. Differentiable FEM simulators may fill this role, but are typically no faster than standard FEM. In this work, we propose learning a predictive graph neural network (GNN), DefGraspNets, to act as our differentiable model. We train DefGraspNets to predict 3D stress and deformation fields based on FEM-based grasp simulations. DefGraspNets not only runs up to 1500 times faster than the FEM simulator, but also enables fast gradient-based grasp optimization over 3D stress and deformation metrics. We design DefGraspNets to align with real-world grasp planning practices and demonstrate generalization across multiple test sets, including real-world experiments.Comment: To be published in the IEEE Conference on Robotics and Automation (ICRA), 202