We present a novel, conditional generative probabilistic model of set-valued data with a tractable log density. This model is a continuous normalizing flow governed by permutation equivariant dynamics. These dynamics are driven by a learnable per-set-element term and pairwise interactions, both parametrized by deep neural networks. We illustrate the utility of this model via applications including (1) complex traffic scene generation conditioned on visually specified map information, and (2) object bounding box generation conditioned directly on images. We train our model by maximizing the expected likelihood of labeled conditional data under our flow, with the aid of a penalty that ensures the dynamics are smooth and hence efficiently solvable. Our method significantly outperforms non-permutation invariant baselines in terms of log likelihood and domain-specific metrics (offroad, collision, and combined infractions), yielding realistic samples that are difficult to distinguish from real data.
Modeling sets is an important problem in machine learning since this type of data can be found in many domains. A promising approach defines a family of permutation invariant densities with continuous normalizing flows. This allows us to maximize the likelihood directly and sample new realizations with ease. In this work, we demonstrate how calculating the trace, a crucial step in this method, raises issues that occur both during training and inference, limiting its practicality. We propose an alternative way of defining permutation equivariant transformations that give closed form trace. This…
We present a generative model that is defined on finite sets of exchangeable, potentially high dimensional, data. As the architecture is an extension of RealNVPs, it inherits all its favorable properties, such as being invertible and allowing for exact log-likelihood evaluation. We show that this architecture is able to learn finite non-i.i.d. set data distributions, learn statistical dependencies between entities of the set and is able to train and sample with variable set sizes in a computationally efficient manner. Experiments on 3D point clouds show state-of-the art likelihoods.
We consider a simple and overarching representation for permutation-invariant functions of sequences (or multiset functions). Our approach, which we call Janossy pooling, expresses a permutation-invariant function as the average of a permutation-sensitive function applied to all reorderings of the input sequence. This allows us to leverage the rich and mature literature on permutation-sensitive functions to construct novel and flexible permutation-invariant functions. If carried out naively, Janossy pooling can be computationally prohibitive. To allow computational tractability, we consider th…
Tel Aviv University（特拉维夫大学）；Google Research（谷歌研究院）
In many machine learning problems the output should not depend on the order of the input. Such "permutation invariant" functions have been studied extensively recently. Here we argue that temporal architectures such as RNNs are highly relevant for such problems, despite the inherent dependence of RNNs on order. We show that RNNs can be regularized towards permutation invariance, and that this can result in compact models, as compared to non-recurrent architectures. We implement this idea via a novel form of stochastic regularization. Existing solutions mostly suggest restricting the learning p…
Generative models of graph structure have applications in biology and social sciences. The state of the art is GraphRNN, which decomposes the graph generation process into a series of sequential steps. While effective for modest sizes, it loses its permutation invariance for larger graphs. Instead, we present a permutation invariant latent-variable generative model relying on graph embeddings to encode structure. Using tools from the random graph literature, our model is highly scalable to large graphs with likelihood evaluation and generation in $O(|V | + |E|)$.
Statistically Valid Variable Importance Assessment through Conditional Permutations
Inria（法国国家信息与自动化研究所）；Universite Paris Saclay（巴黎萨克雷大学）；CEA（法国原子能委员会）；Roche Pharma Research and Early Development（罗氏制药研究与早期开发部）；Neuroscience and Rare Diseases（神经科学与罕见病部门）；Roche Innovation Center Basel（罗氏巴塞尔创新中心）；F. Hoffmann–La Roche Ltd.（豪夫迈·罗氏有限公司）
Learning generative models for graph-structured data is challenging because graphs are discrete, combinatorial, and the underlying data distribution is invariant to the ordering of nodes. However, most of the existing generative models for graphs are not invariant to the chosen ordering, which might lead to an undesirable bias in the learned distribution. To address this difficulty, we propose a permutation invariant approach to modeling graphs, using the recent framework of score-based generative modeling. In particular, we design a permutation equivariant, multi-channel graph neural network …
RIKEN Center for Advanced Intelligence Project（理化学研究所先进智能项目中心）；Keio University（庆应义塾大学）；École Normale Supérieure Paris-Saclay（巴黎萨克雷高等师范学院）
In this paper, we develop a theory about the relationship between $G$-invariant/equivariant functions and deep neural networks for finite group $G$. Especially, for a given $G$-invariant/equivariant function, we construct its universal approximator by deep neural network whose layers equip $G$-actions and each affine transformations are $G$-equivariant/invariant. Due to representation theory, we can show that this approximator has exponentially fewer free parameters than usual models.
We propose a permutation-invariant loss function designed for the neural networks reconstructing a set of elements without considering the order within its vector representation. Unlike popular approaches for encoding and decoding a set, our work does not rely on a carefully engineered network topology nor by any additional sequential algorithm. The proposed method, Set Cross Entropy, has a natural information-theoretic interpretation and is related to the metrics defined for sets. We evaluate the proposed approach in two object reconstruction tasks and a rule learning task.
The University of Tokyo（东京大学）；RIKEN AIP（理化学研究所人工智能项目中心）
We present the group equivariant conditional neural process (EquivCNP), a meta-learning method with permutation invariance in a data set as in conventional conditional neural processes (CNPs), and it also has transformation equivariance in data space. Incorporating group equivariance, such as rotation and scaling equivariance, provides a way to consider the symmetry of real-world data. We give a decomposition theorem for permutation-invariant and group-equivariant maps, which leads us to construct EquivCNPs with an infinite-dimensional latent space to handle group symmetries. In this paper, we…
Augmented Functional Random Forests: Classifier Construction and Unbiased Functional Principal Components Importance through Ad-Hoc Conditional Permutations
Faculty of Technological and Innovation Sciences（技术与创新科学学院）；Faculty of Economics and Law（经济与法学院）
The School of Computer Science（计算机科学学院）；Tel Aviv University（特拉维夫大学）；Facebook AI Research（脸书人工智能研究院）
While there are optimal TSP solvers, as well as recent learning-based approaches, the generalization of the TSP to the Multiple Traveling Salesmen Problem is much less studied. Here, we design a neural network solution that treats the salesmen, cities and depot as three different sets of varying cardinalities. We apply a novel technique that combines elements from recent architectures that were developed for sets, as well as elements from graph networks. Coupled with new constraint enforcing output layers, a dedicated loss, and a search method, our solution is shown to outperform all the meta-…
University of Illinois at Urbana-Champaign（伊利诺伊大学厄巴纳-香槟分校）
Sample efficiency and scalability to a large number of agents are two important goals for multi-agent reinforcement learning systems. Recent works got us closer to those goals, addressing non-stationarity of the environment from a single agent's perspective by utilizing a deep net critic which depends on all observations and actions. The critic input concatenates agent observations and actions in a user-specified order. However, since deep nets aren't permutation invariant, a permuted input changes the critic output despite the environment remaining identical. To avoid this inefficiency, we pr…
Understanding the space of probability measures on a metric space equipped with a Wasserstein distance is one of the fundamental questions in mathematical analysis. The Wasserstein metric has received a lot of attention in the machine learning community especially for its principled way of comparing distributions. In this work, we use a permutation invariant network to map samples from probability measures into a low-dimensional space such that the Euclidean distance between the encoded samples reflects the Wasserstein distance between probability measures. We show that our network can general…
Conditional independence testing is a fundamental problem underlying causal discovery and a particularly challenging task in the presence of nonlinear and high-dimensional dependencies. Here a fully non-parametric test for continuous data based on conditional mutual information combined with a local permutation scheme is presented. Through a nearest neighbor approach, the test efficiently adapts also to non-smooth distributions due to strongly nonlinear dependencies. Numerical experiments demonstrate that the test reliably simulates the null distribution even for small sample sizes and with hi…
Representations of sets are challenging to learn because operations on sets should be permutation-invariant. To this end, we propose a Permutation-Optimisation module that learns how to permute a set end-to-end. The permuted set can be further processed to learn a permutation-invariant representation of that set, avoiding a bottleneck in traditional set models. We demonstrate our model's ability to learn permutations and set representations with either explicit or implicit supervision on four datasets, on which we achieve state-of-the-art results: number sorting, image mosaics, classification …
University College London（伦敦大学学院）；Braintree Ltd.（Braintree公司）
We propose an end-to-end deep learning learning model for graph classification and representation learning that is invariant to permutation of the nodes of the input graphs. We address the challenge of learning a fixed size graph representation for graphs of varying dimensions through a differentiable node attention pooling mechanism. In addition to a theoretical proof of its invariance to permutation, we provide empirical evidence demonstrating the statistically significant gain in accuracy when faced with an isomorphic graph classification task given only a small number of training examples.…
Single-microphone, speaker-independent speech separation is normally performed through two steps: (i) separating the specific speech sources, and (ii) determining the best output-label assignment to find the separation error. The second step is the main obstacle in training neural networks for speech separation. Recently proposed Permutation Invariant Training (PIT) addresses this problem by determining the output-label assignment which minimizes the separation error. In this study, we show that a major drawback of this technique is the overconfident choice of the output-label assignment, espe…
