Deep learning methods have gained popularity in high energy physics for fast modeling of particle showers in detectors. Detailed simulation frameworks such as the gold standard Geant4 are computationally intensive, and current deep generative architectures work on discretized, lower resolution versions of the detailed simulation. The development of models that work at higher spatial resolutions is currently hindered by the complexity of the full simulation data, and by the lack of simpler, more interpretable benchmarks. Our contribution is SUPA, the SUrrogate PArticle propagation simulator, an algorithm and software package for generating data by simulating simplified particle propagation, scattering and shower development in matter. The generation is extremely fast and easy to use compared to Geant4, but still exhibits the key characteristics and challenges of the detailed simulation. We support this claim experimentally by showing that performance of generative models on data from our simulator reflects the performance on a dataset generated with Geant4. The proposed simulator generates thousands of particle showers per second on a desktop machine, a speed up of up to 6 orders of magnitudes over Geant4, and stores detailed geometric information about the shower propagation. SUPA provides much greater flexibility for setting initial conditions and defining multiple benchmarks for the development of models. Moreover, interpreting particle showers as point clouds creates a connection to geometric machine learning and provides challenging and fundamentally new datasets for the field. The code for SUPA is available at //github.com/itsdaniele/SUPA.
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Interactive machine learning (IML) is a field of research that explores how to leverage both human and computational abilities in decision making systems. IML represents a collaboration between multiple complementary human and machine intelligent systems working as a team, each with their own unique abilities and limitations. This teamwork might mean that both systems take actions at the same time, or in sequence. Two major open research questions in the field of IML are: "How should we design systems that can learn to make better decisions over time with human interaction?" and "How should we evaluate the design and deployment of such systems?" A lack of appropriate consideration for the humans involved can lead to problematic system behaviour, and issues of fairness, accountability, and transparency. Thus, our goal with this work is to present a human-centred guide to designing and evaluating IML systems while mitigating risks. This guide is intended to be used by machine learning practitioners who are responsible for the health, safety, and well-being of interacting humans. An obligation of responsibility for public interaction means acting with integrity, honesty, fairness, and abiding by applicable legal statutes. With these values and principles in mind, we as a machine learning research community can better achieve goals of augmenting human skills and abilities. This practical guide therefore aims to support many of the responsible decisions necessary throughout the iterative design, development, and dissemination of IML systems.
Collision avoidance is a widely investigated topic in robotic applications. When applying collision avoidance techniques to a mobile robot, how to deal with the spatial structure of the robot still remains a challenge. In this paper, we design a configuration-aware safe control law by solving a Quadratic Programming (QP) with designed Control Barrier Functions (CBFs) constraints, which can safely navigate a mobile robotic arm to a desired region while avoiding collision with environmental obstacles. The advantage of our approach is that it correctly and in an elegant way incorporates the spatial structure of the mobile robotic arm. This is achieved by merging geometric restrictions among mobile robotic arm links into CBFs constraints. Simulations on a rigid rod and the modeled mobile robotic arm are performed to verify the feasibility and time-efficiency of proposed method. Numerical results about the time consuming for different degrees of freedom illustrate that our method scales well with dimension.
Despite its technological benefits, Internet of Things (IoT) has cyber weaknesses due to the vulnerabilities in the wireless medium. Machine learning (ML)-based methods are widely used against cyber threats in IoT networks with promising performance. Advanced persistent threat (APT) is prominent for cybercriminals to compromise networks, and it is crucial to long-term and harmful characteristics. However, it is difficult to apply ML-based approaches to identify APT attacks to obtain a promising detection performance due to an extremely small percentage among normal traffic. There are limited surveys to fully investigate APT attacks in IoT networks due to the lack of public datasets with all types of APT attacks. It is worth to bridge the state-of-the-art in network attack detection with APT attack detection in a comprehensive review article. This survey article reviews the security challenges in IoT networks and presents the well-known attacks, APT attacks, and threat models in IoT systems. Meanwhile, signature-based, anomaly-based, and hybrid intrusion detection systems are summarized for IoT networks. The article highlights statistical insights regarding frequently applied ML-based methods against network intrusion alongside the number of attacks types detected. Finally, open issues and challenges for common network intrusion and APT attacks are presented for future research.
Present-day atomistic simulations generate long trajectories of ever more complex systems. Analyzing these data, discovering metastable states, and uncovering their nature is becoming increasingly challenging. In this paper, we first use the variational approach to conformation dynamics to discover the slowest dynamical modes of the simulations. This allows the different metastable states of the system to be located and organized hierarchically. The physical descriptors that characterize metastable states are discovered by means of a machine learning method. We show in the cases of two proteins, Chignolin and Bovine Pancreatic Trypsin Inhibitor, how such analysis can be effortlessly performed in a matter of seconds. Another strength of our approach is that it can be applied to the analysis of both unbiased and biased simulations.
We present a method for the control of robot swarms which allows the shaping and the translation of patterns of simple robots ("smart particles"), using two types of devices. These two types represent a hierarchy: a larger group of simple, oblivious robots (which we call the workers) that is governed by simple local attraction forces, and a smaller group (the guides) with sufficient mission knowledge to create and maintain a desired pattern by operating on the local forces of the former. This framework exploits the knowledge of the guides, which coordinate to shape the workers like smart particles by changing their interaction parameters. We study the approach with a large scale simulation experiment in a physics based simulator with up to 1000 robots forming three different patterns. Our experiments reveal that the approach scales well with increasing robot numbers, and presents little pattern distortion for a set of target moving shapes. We evaluate the approach on a physical swarm of robots that use visual inertial odometry to compute their relative positions and obtain results that are comparable with simulation. This work lays foundation for designing and coordinating configurable smart particles, with applications in smart materials and nanomedicine.
This book develops an effective theory approach to understanding deep neural networks of practical relevance. Beginning from a first-principles component-level picture of networks, we explain how to determine an accurate description of the output of trained networks by solving layer-to-layer iteration equations and nonlinear learning dynamics. A main result is that the predictions of networks are described by nearly-Gaussian distributions, with the depth-to-width aspect ratio of the network controlling the deviations from the infinite-width Gaussian description. We explain how these effectively-deep networks learn nontrivial representations from training and more broadly analyze the mechanism of representation learning for nonlinear models. From a nearly-kernel-methods perspective, we find that the dependence of such models' predictions on the underlying learning algorithm can be expressed in a simple and universal way. To obtain these results, we develop the notion of representation group flow (RG flow) to characterize the propagation of signals through the network. By tuning networks to criticality, we give a practical solution to the exploding and vanishing gradient problem. We further explain how RG flow leads to near-universal behavior and lets us categorize networks built from different activation functions into universality classes. Altogether, we show that the depth-to-width ratio governs the effective model complexity of the ensemble of trained networks. By using information-theoretic techniques, we estimate the optimal aspect ratio at which we expect the network to be practically most useful and show how residual connections can be used to push this scale to arbitrary depths. With these tools, we can learn in detail about the inductive bias of architectures, hyperparameters, and optimizers.
It has been a long time that computer architecture and systems are optimized to enable efficient execution of machine learning (ML) algorithms or models. Now, it is time to reconsider the relationship between ML and systems, and let ML transform the way that computer architecture and systems are designed. This embraces a twofold meaning: the improvement of designers' productivity, and the completion of the virtuous cycle. In this paper, we present a comprehensive review of work that applies ML for system design, which can be grouped into two major categories, ML-based modelling that involves predictions of performance metrics or some other criteria of interest, and ML-based design methodology that directly leverages ML as the design tool. For ML-based modelling, we discuss existing studies based on their target level of system, ranging from the circuit level to the architecture/system level. For ML-based design methodology, we follow a bottom-up path to review current work, with a scope of (micro-)architecture design (memory, branch prediction, NoC), coordination between architecture/system and workload (resource allocation and management, data center management, and security), compiler, and design automation. We further provide a future vision of opportunities and potential directions, and envision that applying ML for computer architecture and systems would thrive in the community.
Graph Neural Networks (GNNs) have recently become increasingly popular due to their ability to learn complex systems of relations or interactions arising in a broad spectrum of problems ranging from biology and particle physics to social networks and recommendation systems. Despite the plethora of different models for deep learning on graphs, few approaches have been proposed thus far for dealing with graphs that present some sort of dynamic nature (e.g. evolving features or connectivity over time). In this paper, we present Temporal Graph Networks (TGNs), a generic, efficient framework for deep learning on dynamic graphs represented as sequences of timed events. Thanks to a novel combination of memory modules and graph-based operators, TGNs are able to significantly outperform previous approaches being at the same time more computationally efficient. We furthermore show that several previous models for learning on dynamic graphs can be cast as specific instances of our framework. We perform a detailed ablation study of different components of our framework and devise the best configuration that achieves state-of-the-art performance on several transductive and inductive prediction tasks for dynamic graphs.
In this paper, we propose a deep reinforcement learning framework called GCOMB to learn algorithms that can solve combinatorial problems over large graphs. GCOMB mimics the greedy algorithm in the original problem and incrementally constructs a solution. The proposed framework utilizes Graph Convolutional Network (GCN) to generate node embeddings that predicts the potential nodes in the solution set from the entire node set. These embeddings enable an efficient training process to learn the greedy policy via Q-learning. Through extensive evaluation on several real and synthetic datasets containing up to a million nodes, we establish that GCOMB is up to 41% better than the state of the art, up to seven times faster than the greedy algorithm, robust and scalable to large dynamic networks.
This paper surveys the machine learning literature and presents machine learning as optimization models. Such models can benefit from the advancement of numerical optimization techniques which have already played a distinctive role in several machine learning settings. Particularly, mathematical optimization models are presented for commonly used machine learning approaches for regression, classification, clustering, and deep neural networks as well new emerging applications in machine teaching and empirical model learning. The strengths and the shortcomings of these models are discussed and potential research directions are highlighted.
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