Challenging the generalization capabilities of Graph Neural Networks for network modeling

Today, network operators still lack functional network models able to make accurate predictions of end-to-end Key Performance Indicators (e.g., delay or jitter) at limited cost. Recently a novel Graph Neural Network (GNN) model called RouteNet was proposed as a cost-effective alternative to estimate the per-source/destination pair mean delay and jitter in networks. Thanks to its GNN architecture that operates over graph-structured data, RouteNet revealed an unprecedented ability to learn and model the complex relationships among topology, routing and input traffic in networks. As a result, it was able to make performance predictions with similar accuracy than resource-hungry packet-level simulators even in network scenarios unseen during training. In this demo, we will challenge the generalization capabilities of RouteNet with more complex scenarios, including larger topologies.This work was supported by the Spanish MINECO under contract TEC2017-90034-C2-1-R (ALLIANCE), the Catalan Institution for Research and Advanced Studies (ICREA) and the AGH University of Science and Technology grant, under contract no. 15.11.230.400. The research was also supported in part by PL-Grid Infrastructure.Peer ReviewedPostprint (author's final draft

SchNet: A continuous-filter convolutional neural network for modeling quantum interactions

Deep learning has the potential to revolutionize quantum chemistry as it is ideally suited to learn representations for structured data and speed up the exploration of chemical space. While convolutional neural networks have proven to be the first choice for images, audio and video data, the atoms in molecules are not restricted to a grid. Instead, their precise locations contain essential physical information, that would get lost if discretized. Thus, we propose to use continuous-filter convolutional layers to be able to model local correlations without requiring the data to lie on a grid. We apply those layers in SchNet: a novel deep learning architecture modeling quantum interactions in molecules. We obtain a joint model for the total energy and interatomic forces that follows fundamental quantum-chemical principles. This includes rotationally invariant energy predictions and a smooth, differentiable potential energy surface. Our architecture achieves state-of-the-art performance for benchmarks of equilibrium molecules and molecular dynamics trajectories. Finally, we introduce a more challenging benchmark with chemical and structural variations that suggests the path for further work

Neural Networks for Complex Data

Artificial neural networks are simple and efficient machine learning tools. Defined originally in the traditional setting of simple vector data, neural network models have evolved to address more and more difficulties of complex real world problems, ranging from time evolving data to sophisticated data structures such as graphs and functions. This paper summarizes advances on those themes from the last decade, with a focus on results obtained by members of the SAMM team of Universit\'e Paris

Combining Physical Simulators and Object-Based Networks for Control

Physics engines play an important role in robot planning and control; however, many real-world control problems involve complex contact dynamics that cannot be characterized analytically. Most physics engines therefore employ . approximations that lead to a loss in precision. In this paper, we propose a hybrid dynamics model, simulator-augmented interaction networks (SAIN), combining a physics engine with an object-based neural network for dynamics modeling. Compared with existing models that are purely analytical or purely data-driven, our hybrid model captures the dynamics of interacting objects in a more accurate and data-efficient manner.Experiments both in simulation and on a real robot suggest that it also leads to better performance when used in complex control tasks. Finally, we show that our model generalizes to novel environments with varying object shapes and materials.Comment: ICRA 2019; Project page: http://sain.csail.mit.ed

Sherlock: Scalable Fact Learning in Images

We study scalable and uniform understanding of facts in images. Existing visual recognition systems are typically modeled differently for each fact type such as objects, actions, and interactions. We propose a setting where all these facts can be modeled simultaneously with a capacity to understand unbounded number of facts in a structured way. The training data comes as structured facts in images, including (1) objects (e.g., $$), (2) attributes (e.g.,$$), (3) actions (e.g., $$), and (4) interactions (e.g.,$$). Each fact has a semantic language view (e.g., $$) and a visual view (an image with this fact). We show that learning visual facts in a structured way enables not only a uniform but also generalizable visual understanding. We propose and investigate recent and strong approaches from the multiview learning literature and also introduce two learning representation models as potential baselines. We applied the investigated methods on several datasets that we augmented with structured facts and a large scale dataset of more than 202,000 facts and 814,000 images. Our experiments show the advantage of relating facts by the structure by the proposed models compared to the designed baselines on bidirectional fact retrieval.Comment: Jan 7 Updat