Within the glassy liquids community, the use of Machine Learning (ML) to model particles' static structure in order to predict their future dynamics is currently a hot topic. The actual state of the art consists in Graph Neural Networks (GNNs) (Bapst 2020) which, beside having a great expressive power, are heavy models with numerous parameters and lack interpretability. Inspired by recent advances (Thomas 2018), we build a GNN that learns a robust representation of the glass' static structure by constraining it to preserve the roto-translation (SE(3)) equivariance. We show that this constraint not only significantly improves the predictive power but also allows to reduce the number of parameters while improving the interpretability. Furthermore, we relate our learned equivariant features to well-known invariant expert features, which are easily expressible with a single layer of our network.

流体（VOF）方法的体积被广泛用于多相流仿真中，以跟踪和定位两个不混溶的流体之间的界面。VOF方法的主要瓶颈是界面重建步骤，由于其高计算成本和非结构化网格的精度较低。我们建议基于图神经网络（GNN）的机器学习增强的VOF方法，以加速通用非结构化网格上的接口重建。我们首先开发一种方法来基于在非结构化网格上离散的抛物面表面生成合成数据集。然后，我们训练基于GNN的模型并执行概括测试。我们的结果表明，在工业背景下，基于GNN的界面重建方法的效率。

推荐系统已被广泛用于各种领域，例如音乐，电影，电子购物。等等。在大多避免数字化之后，由于流行病而最近达到了技术转折点，使在线销售显着增长，并提供定量的定量性。有关艺术家和艺术品的在线数据。在这项工作中，我们提出了一个基于内容的推荐系统，依靠艺术品和艺术家的上下文元数据的图像。我们收集和注释的艺术品提供了高级和特定于艺术的信息，以创建一个完全独特的数据库，该数据库用于培训我们的模型。有了这些信息，我们在艺术品之间构建了一个接近图。同样，我们使用NLP技术来表征艺术家的实践，并从展览和其他活动历史中提取信息，以在艺术家之间创建近距离图。图形分析的力量使我们能够基于艺术品和艺术家的视觉和上下文信息的结合提供艺术品推荐系统。经过一组艺术专家的评估，与他们的专业评估相比，我们的平均最终评分为75％。

In this paper, we present a framework for learning quadruped navigation by integrating central pattern generators (CPGs), i.e. systems of coupled oscillators, into the deep reinforcement learning (DRL) framework. Through both exteroceptive and proprioceptive sensing, the agent learns to modulate the intrinsic oscillator setpoints (amplitude and frequency) and coordinate rhythmic behavior among different oscillators to track velocity commands while avoiding collisions with the environment. We compare different neural network architectures (i.e. memory-free and memory-enabled) which learn implicit interoscillator couplings, as well as varying the strength of the explicit coupling weights in the oscillator dynamics equations. We train our policies in simulation and perform a sim-to-real transfer to the Unitree Go1 quadruped, where we observe robust navigation in a variety of scenarios. Our results show that both memory-enabled policy representations and explicit interoscillator couplings are beneficial for a successful sim-to-real transfer for navigation tasks. Video results can be found at https://youtu.be/O_LX1oLZOe0.

Deep spiking neural networks (SNNs) offer the promise of low-power artificial intelligence. However, training deep SNNs from scratch or converting deep artificial neural networks to SNNs without loss of performance has been a challenge. Here we propose an exact mapping from a network with Rectified Linear Units (ReLUs) to an SNN that fires exactly one spike per neuron. For our constructive proof, we assume that an arbitrary multi-layer ReLU network with or without convolutional layers, batch normalization and max pooling layers was trained to high performance on some training set. Furthermore, we assume that we have access to a representative example of input data used during training and to the exact parameters (weights and biases) of the trained ReLU network. The mapping from deep ReLU networks to SNNs causes zero percent drop in accuracy on CIFAR10, CIFAR100 and the ImageNet-like data sets Places365 and PASS. More generally our work shows that an arbitrary deep ReLU network can be replaced by an energy-efficient single-spike neural network without any loss of performance.

Recently, extensive studies on photonic reinforcement learning to accelerate the process of calculation by exploiting the physical nature of light have been conducted. Previous studies utilized quantum interference of photons to achieve collective decision-making without choice conflicts when solving the competitive multi-armed bandit problem, a fundamental example of reinforcement learning. However, the bandit problem deals with a static environment where the agent's action does not influence the reward probabilities. This study aims to extend the conventional approach to a more general multi-agent reinforcement learning targeting the grid world problem. Unlike the conventional approach, the proposed scheme deals with a dynamic environment where the reward changes because of agents' actions. A successful photonic reinforcement learning scheme requires both a photonic system that contributes to the quality of learning and a suitable algorithm. This study proposes a novel learning algorithm, discontinuous bandit Q-learning, in view of a potential photonic implementation. Here, state-action pairs in the environment are regarded as slot machines in the context of the bandit problem and an updated amount of Q-value is regarded as the reward of the bandit problem. We perform numerical simulations to validate the effectiveness of the bandit algorithm. In addition, we propose a multi-agent architecture in which agents are indirectly connected through quantum interference of light and quantum principles ensure the conflict-free property of state-action pair selections among agents. We demonstrate that multi-agent reinforcement learning can be accelerated owing to conflict avoidance among multiple agents.

Fingerprints are key tools in climate change detection and attribution (D&A) that are used to determine whether changes in observations are different from internal climate variability (detection), and whether observed changes can be assigned to specific external drivers (attribution). We propose a direct D&A approach based on supervised learning to extract fingerprints that lead to robust predictions under relevant interventions on exogenous variables, i.e., climate drivers other than the target. We employ anchor regression, a distributionally-robust statistical learning method inspired by causal inference that extrapolates well to perturbed data under the interventions considered. The residuals from the prediction achieve either uncorrelatedness or mean independence with the exogenous variables, thus guaranteeing robustness. We define D&A as a unified hypothesis testing framework that relies on the same statistical model but uses different targets and test statistics. In the experiments, we first show that the CO2 forcing can be robustly predicted from temperature spatial patterns under strong interventions on the solar forcing. Second, we illustrate attribution to the greenhouse gases and aerosols while protecting against interventions on the aerosols and CO2 forcing, respectively. Our study shows that incorporating robustness constraints against relevant interventions may significantly benefit detection and attribution of climate change.

We discuss pattern languages for closed pattern mining and learning of interval data and distributional data. We first introduce pattern languages relying on pairs of intersection-based constraints or pairs of inclusion based constraints, or both, applied to intervals. We discuss the encoding of such interval patterns as itemsets thus allowing to use closed itemsets mining and formal concept analysis programs. We experiment these languages on clustering and supervised learning tasks. Then we show how to extend the approach to address distributional data.

The long-distance agreement, evidence for syntactic structure, is increasingly used to assess the syntactic generalization of Neural Language Models. Much work has shown that transformers are capable of high accuracy in varied agreement tasks, but the mechanisms by which the models accomplish this behavior are still not well understood. To better understand transformers' internal working, this work contrasts how they handle two superficially similar but theoretically distinct agreement phenomena: subject-verb and object-past participle agreement in French. Using probing and counterfactual analysis methods, our experiments show that i) the agreement task suffers from several confounders which partially question the conclusions drawn so far and ii) transformers handle subject-verb and object-past participle agreements in a way that is consistent with their modeling in theoretical linguistics.

Predicting the physical interaction of proteins is a cornerstone problem in computational biology. New classes of learning-based algorithms are actively being developed, and are typically trained end-to-end on protein complex structures extracted from the Protein Data Bank. These training datasets tend to be large and difficult to use for prototyping and, unlike image or natural language datasets, they are not easily interpretable by non-experts. We present Dock2D-IP and Dock2D-IF, two "toy" datasets that can be used to select algorithms predicting protein-protein interactions$\unicode{x2014}$or any other type of molecular interactions. Using two-dimensional shapes as input, each example from Dock2D-IP ("interaction pose") describes the interaction pose of two shapes known to interact and each example from Dock2D-IF ("interaction fact") describes whether two shapes form a stable complex or not. We propose a number of baseline solutions to the problem and show that the same underlying energy function can be learned either by solving the interaction pose task (formulated as an energy-minimization "docking" problem) or the fact-of-interaction task (formulated as a binding free energy estimation problem).