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We present a new approach, the Topograph, which reconstructs underlying physics processes, including the intermediary particles, by leveraging underlying priors from the nature of particle physics decays and the flexibility of message passing graph neural networks. The Topograph not only solves the combinatoric assignment of observed final state objects, associating them to their original mother particles, but directly predicts the properties of intermediate particles in hard scatter processes and their subsequent decays. In comparison to standard combinatoric approaches or modern approaches using graph neural networks, which scale exponentially or quadratically, the complexity of Topographs scales linearly with the number of reconstructed objects. We apply Topographs to top quark pair production in the all hadronic decay channel, where we outperform the standard approach and match the performance of the state-of-the-art machine learning technique.

Pulse timing is an important topic in nuclear instrumentation, with far-reaching applications from high energy physics to radiation imaging. While high-speed analog-to-digital converters become more and more developed and accessible, their potential uses and merits in nuclear detector signal processing are still uncertain, partially due to associated timing algorithms which are not fully understood and utilized. In this paper, we propose a novel method based on deep learning for timing analysis of modularized nuclear detectors without explicit needs of labelling event data. By taking advantage of the inner time correlation of individual detectors, a label-free loss function with a specially designed regularizer is formed to supervise the training of neural networks towards a meaningful and accurate mapping function. We mathematically demonstrate the existence of the optimal function desired by the method, and give a systematic algorithm for training and calibration of the model. The proposed method is validated on two experimental datasets. In the toy experiment, the neural network model achieves the single-channel time resolution of 8.8 ps and exhibits robustness against concept drift in the dataset. In the electromagnetic calorimeter experiment, several neural network models (FC, CNN and LSTM) are tested to show their conformance to the underlying physical constraint and to judge their performance against traditional methods. In total, the proposed method works well in either ideal or noisy experimental condition and recovers the time information from waveform samples successfully and precisely.

Nowadays, embedded devices are increasingly present in everyday life, often controlling and processing critical information. For this reason, these devices make use of cryptographic protocols. However, embedded devices are particularly vulnerable to attackers seeking to hijack their operation and extract sensitive information. Code-Reuse Attacks (CRAs) can steer the execution of a program to malicious outcomes, leveraging existing on-board code without direct access to the device memory. Moreover, Side-Channel Attacks (SCAs) may reveal secret information to the attacker based on mere observation of the device. In this paper, we are particularly concerned with thwarting CRAs and SCAs against embedded devices, while taking into account their resource limitations. Fine-grained code diversification can hinder CRAs by introducing uncertainty to the binary code; while software mechanisms can thwart timing or power SCAs. The resilience to either attack may come at the price of the overall efficiency. Moreover, a unified approach that preserves these mitigations against both CRAs and SCAs is not available. This is the main novelty of our approach, Secure Diversity by Construction (SecDivCon); a combinatorial compiler-based approach that combines software diversification against CRAs with software mitigations against SCAs. SecDivCon restricts the performance overhead in the generated code, offering a secure-by-design control on the performance-security trade-off. Our experiments show that SCA-aware diversification is effective against CRAs, while preserving SCA mitigation properties at a low, controllable overhead. Given the combinatorial nature of our approach, SecDivCon is suitable for small, performance-critical functions that are sensitive to SCAs. SecDivCon may be used as a building block to whole-program code diversification or in a re-randomization scheme of cryptographic code.

Recently, graph neural networks have been gaining a lot of attention to simulate dynamical systems due to their inductive nature leading to zero-shot generalizability. Similarly, physics-informed inductive biases in deep-learning frameworks have been shown to give superior performance in learning the dynamics of physical systems. There is a growing volume of literature that attempts to combine these two approaches. Here, we evaluate the performance of thirteen different graph neural networks, namely, Hamiltonian and Lagrangian graph neural networks, graph neural ODE, and their variants with explicit constraints and different architectures. We briefly explain the theoretical formulation highlighting the similarities and differences in the inductive biases and graph architecture of these systems. We evaluate these models on spring, pendulum, gravitational, and 3D deformable solid systems to compare the performance in terms of rollout error, conserved quantities such as energy and momentum, and generalizability to unseen system sizes. Our study demonstrates that GNNs with additional inductive biases, such as explicit constraints and decoupling of kinetic and potential energies, exhibit significantly enhanced performance. Further, all the physics-informed GNNs exhibit zero-shot generalizability to system sizes an order of magnitude larger than the training system, thus providing a promising route to simulate large-scale realistic systems.

Deep neural networks have revolutionized many machine learning tasks in power systems, ranging from pattern recognition to signal processing. The data in these tasks is typically represented in Euclidean domains. Nevertheless, there is an increasing number of applications in power systems, where data are collected from non-Euclidean domains and represented as the graph-structured data with high dimensional features and interdependency among nodes. The complexity of graph-structured data has brought significant challenges to the existing deep neural networks defined in Euclidean domains. Recently, many studies on extending deep neural networks for graph-structured data in power systems have emerged. In this paper, a comprehensive overview of graph neural networks (GNNs) in power systems is proposed. Specifically, several classical paradigms of GNNs structures (e.g., graph convolutional networks, graph recurrent neural networks, graph attention networks, graph generative networks, spatial-temporal graph convolutional networks, and hybrid forms of GNNs) are summarized, and key applications in power systems such as fault diagnosis, power prediction, power flow calculation, and data generation are reviewed in detail. Furthermore, main issues and some research trends about the applications of GNNs in power systems are discussed.

Behaviors of the synthetic characters in current military simulations are limited since they are generally generated by rule-based and reactive computational models with minimal intelligence. Such computational models cannot adapt to reflect the experience of the characters, resulting in brittle intelligence for even the most effective behavior models devised via costly and labor-intensive processes. Observation-based behavior model adaptation that leverages machine learning and the experience of synthetic entities in combination with appropriate prior knowledge can address the issues in the existing computational behavior models to create a better training experience in military training simulations. In this paper, we introduce a framework that aims to create autonomous synthetic characters that can perform coherent sequences of believable behavior while being aware of human trainees and their needs within a training simulation. This framework brings together three mutually complementary components. The first component is a Unity-based simulation environment - Rapid Integration and Development Environment (RIDE) - supporting One World Terrain (OWT) models and capable of running and supporting machine learning experiments. The second is Shiva, a novel multi-agent reinforcement and imitation learning framework that can interface with a variety of simulation environments, and that can additionally utilize a variety of learning algorithms. The final component is the Sigma Cognitive Architecture that will augment the behavior models with symbolic and probabilistic reasoning capabilities. We have successfully created proof-of-concept behavior models leveraging this framework on realistic terrain as an essential step towards bringing machine learning into military simulations.

The aim of this work is to develop a fully-distributed algorithmic framework for training graph convolutional networks (GCNs). The proposed method is able to exploit the meaningful relational structure of the input data, which are collected by a set of agents that communicate over a sparse network topology. After formulating the centralized GCN training problem, we first show how to make inference in a distributed scenario where the underlying data graph is split among different agents. Then, we propose a distributed gradient descent procedure to solve the GCN training problem. The resulting model distributes computation along three lines: during inference, during back-propagation, and during optimization. Convergence to stationary solutions of the GCN training problem is also established under mild conditions. Finally, we propose an optimization criterion to design the communication topology between agents in order to match with the graph describing data relationships. A wide set of numerical results validate our proposal. To the best of our knowledge, this is the first work combining graph convolutional neural networks with distributed optimization.

Since deep neural networks were developed, they have made huge contributions to everyday lives. Machine learning provides more rational advice than humans are capable of in almost every aspect of daily life. However, despite this achievement, the design and training of neural networks are still challenging and unpredictable procedures. To lower the technical thresholds for common users, automated hyper-parameter optimization (HPO) has become a popular topic in both academic and industrial areas. This paper provides a review of the most essential topics on HPO. The first section introduces the key hyper-parameters related to model training and structure, and discusses their importance and methods to define the value range. Then, the research focuses on major optimization algorithms and their applicability, covering their efficiency and accuracy especially for deep learning networks. This study next reviews major services and toolkits for HPO, comparing their support for state-of-the-art searching algorithms, feasibility with major deep learning frameworks, and extensibility for new modules designed by users. The paper concludes with problems that exist when HPO is applied to deep learning, a comparison between optimization algorithms, and prominent approaches for model evaluation with limited computational resources.

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics system, learning molecular fingerprints, predicting protein interface, and classifying diseases require that a model to learn from graph inputs. In other domains such as learning from non-structural data like texts and images, reasoning on extracted structures, like the dependency tree of sentences and the scene graph of images, is an important research topic which also needs graph reasoning models. Graph neural networks (GNNs) are connectionist models that capture the dependence of graphs via message passing between the nodes of graphs. Unlike standard neural networks, graph neural networks retain a state that can represent information from its neighborhood with an arbitrary depth. Although the primitive graph neural networks have been found difficult to train for a fixed point, recent advances in network architectures, optimization techniques, and parallel computation have enabled successful learning with them. In recent years, systems based on graph convolutional network (GCN) and gated graph neural network (GGNN) have demonstrated ground-breaking performance on many tasks mentioned above. In this survey, we provide a detailed review over existing graph neural network models, systematically categorize the applications, and propose four open problems for future research.