我们介绍了Gaudi，Gaudi是一种生成模型，能够捕获可以从移动的相机中沉浸式的复杂和现实3D场景的分布。我们通过一种可扩展而强大的方法解决了这个具有挑战性的问题，我们首先优化了散布辐射场和相机姿势的潜在表示。然后，该潜在表示将学习一个生成模型，该模型可以使3D场景的无条件生成和条件生成。我们的模型概括了以前的作品，该作品通过删除可以在样本中共享相机姿势分布的假设来关注单个对象。我们表明，高迪（Gaudi）在多个数据集的无条件生成设置中获得了最先进的性能，并允许有条件地生成3D场景给定的调理变量，例如稀疏图像观测值或描述场景的文本。

Despite their overwhelming capacity to overfit, deep learning architectures tend to generalize relatively well to unseen data, allowing them to be deployed in practice. However, explaining why this is the case is still an open area of research. One standing hypothesis that is gaining popularity, e.g. Hochreiter & Schmidhuber (1997);Keskar et al. (2017), is that the flatness of minima of the loss function found by stochastic gradient based methods results in good generalization. This paper argues that most notions of flatness are problematic for deep models and can not be directly applied to explain generalization. Specifically, when focusing on deep networks with rectifier units, we can exploit the particular geometry of parameter space induced by the inherent symmetries that these architectures exhibit to build equivalent models corresponding to arbitrarily sharper minima. Furthermore, if we allow to reparametrize a function, the geometry of its parameters can change drastically without affecting its generalization properties.

Unsupervised learning of probabilistic models is a central yet challenging problem in machine learning. Specifically, designing models with tractable learning, sampling, inference and evaluation is crucial in solving this task. We extend the space of such models using real-valued non-volume preserving (real NVP) transformations, a set of powerful, stably invertible, and learnable transformations, resulting in an unsupervised learning algorithm with exact log-likelihood computation, exact and efficient sampling, exact and efficient inference of latent variables, and an interpretable latent space. We demonstrate its ability to model natural images on four datasets through sampling, log-likelihood evaluation, and latent variable manipulations.

In this paper, we explore the inclusion of latent random variables into the hidden state of a recurrent neural network (RNN) by combining the elements of the variational autoencoder. We argue that through the use of high-level latent random variables, the variational RNN (VRNN) 1 can model the kind of variability observed in highly structured sequential data such as natural speech. We empirically evaluate the proposed model against other related sequential models on four speech datasets and one handwriting dataset. Our results show the important roles that latent random variables can play in the RNN dynamics.

We propose a deep learning framework for modeling complex high-dimensional densities called Non-linear Independent Component Estimation (NICE). It is based on the idea that a good representation is one in which the data has a distribution that is easy to model. For this purpose, a non-linear deterministic transformation of the data is learned that maps it to a latent space so as to make the transformed data conform to a factorized distribution, i.e., resulting in independent latent variables. We parametrize this transformation so that computing the determinant of the Jacobian and inverse Jacobian is trivial, yet we maintain the ability to learn complex non-linear transformations, via a composition of simple building blocks, each based on a deep neural network. The training criterion is simply the exact log-likelihood, which is tractable. Unbiased ancestral sampling is also easy. We show that this approach yields good generative models on four image datasets and can be used for inpainting.

Graph Neural Networks (GNNs) have shown great potential in the field of graph representation learning. Standard GNNs define a local message-passing mechanism which propagates information over the whole graph domain by stacking multiple layers. This paradigm suffers from two major limitations, over-squashing and poor long-range dependencies, that can be solved using global attention but significantly increases the computational cost to quadratic complexity. In this work, we propose an alternative approach to overcome these structural limitations by leveraging the ViT/MLP-Mixer architectures introduced in computer vision. We introduce a new class of GNNs, called Graph MLP-Mixer, that holds three key properties. First, they capture long-range dependency and mitigate the issue of over-squashing as demonstrated on the Long Range Graph Benchmark (LRGB) and the TreeNeighbourMatch datasets. Second, they offer better speed and memory efficiency with a complexity linear to the number of nodes and edges, surpassing the related Graph Transformer and expressive GNN models. Third, they show high expressivity in terms of graph isomorphism as they can distinguish at least 3-WL non-isomorphic graphs. We test our architecture on 4 simulated datasets and 7 real-world benchmarks, and show highly competitive results on all of them.

Over the past decade, neural networks have been successful at making predictions from biological sequences, especially in the context of regulatory genomics. As in other fields of deep learning, tools have been devised to extract features such as sequence motifs that can explain the predictions made by a trained network. Here we intend to go beyond explainable machine learning and introduce SEISM, a selective inference procedure to test the association between these extracted features and the predicted phenotype. In particular, we discuss how training a one-layer convolutional network is formally equivalent to selecting motifs maximizing some association score. We adapt existing sampling-based selective inference procedures by quantizing this selection over an infinite set to a large but finite grid. Finally, we show that sampling under a specific choice of parameters is sufficient to characterize the composite null hypothesis typically used for selective inference-a result that goes well beyond our particular framework. We illustrate the behavior of our method in terms of calibration, power and speed and discuss its power/speed trade-off with a simpler data-split strategy. SEISM paves the way to an easier analysis of neural networks used in regulatory genomics, and to more powerful methods for genome wide association studies (GWAS).

Information on the grass growth over a year is essential for some models simulating the use of this resource to feed animals on pasture or at barn with hay or grass silage. Unfortunately, this information is rarely available. The challenge is to reconstruct grass growth from two sources of information: usual daily climate data (rainfall, radiation, etc.) and cumulative growth over the year. We have to be able to capture the effect of seasonal climatic events which are known to distort the growth curve within the year. In this paper, we formulate this challenge as a problem of disaggregating the cumulative growth into a time series. To address this problem, our method applies time series forecasting using climate information and grass growth from previous time steps. Several alternatives of the method are proposed and compared experimentally using a database generated from a grassland process-based model. The results show that our method can accurately reconstruct the time series, independently of the use of the cumulative growth information.

As of 2022, greenhouse gases (GHG) emissions reporting and auditing are not yet compulsory for all companies and methodologies of measurement and estimation are not unified. We propose a machine learning-based model to estimate scope 1 and scope 2 GHG emissions of companies not reporting them yet. Our model, specifically designed to be transparent and completely adapted to this use case, is able to estimate emissions for a large universe of companies. It shows good out-of-sample global performances as well as good out-of-sample granular performances when evaluating it by sectors, by countries or by revenues buckets. We also compare our results to those of other providers and find our estimates to be more accurate. Thanks to the proposed explainability tools using Shapley values, our model is fully interpretable, the user being able to understand which factors split explain the GHG emissions for each particular company.

Algorithms that involve both forecasting and optimization are at the core of solutions to many difficult real-world problems, such as in supply chains (inventory optimization), traffic, and in the transition towards carbon-free energy generation in battery/load/production scheduling in sustainable energy systems. Typically, in these scenarios we want to solve an optimization problem that depends on unknown future values, which therefore need to be forecast. As both forecasting and optimization are difficult problems in their own right, relatively few research has been done in this area. This paper presents the findings of the ``IEEE-CIS Technical Challenge on Predict+Optimize for Renewable Energy Scheduling," held in 2021. We present a comparison and evaluation of the seven highest-ranked solutions in the competition, to provide researchers with a benchmark problem and to establish the state of the art for this benchmark, with the aim to foster and facilitate research in this area. The competition used data from the Monash Microgrid, as well as weather data and energy market data. It then focused on two main challenges: forecasting renewable energy production and demand, and obtaining an optimal schedule for the activities (lectures) and on-site batteries that lead to the lowest cost of energy. The most accurate forecasts were obtained by gradient-boosted tree and random forest models, and optimization was mostly performed using mixed integer linear and quadratic programming. The winning method predicted different scenarios and optimized over all scenarios jointly using a sample average approximation method.