Causal discovery, i.e., learning the causal graph from data, is often the first step toward the identification and estimation of causal effects, a key requirement in numerous scientific domains. Causal discovery is hampered by two main challenges: limited data results in errors in statistical testing and the computational complexity of the learning task is daunting. This paper builds upon and extends four of our prior publications (Mokhtarian et al., 2021; Akbari et al., 2021; Mokhtarian et al., 2022, 2023a). These works introduced the concept of removable variables, which are the only variables that can be removed recursively for the purpose of causal discovery. Presence and identification of removable variables allow recursive approaches for causal discovery, a promising solution that helps to address the aforementioned challenges by reducing the problem size successively. This reduction not only minimizes conditioning sets in each conditional independence (CI) test, leading to fewer errors but also significantly decreases the number of required CI tests. The worst-case performances of these methods nearly match the lower bound. In this paper, we present a unified framework for the proposed algorithms, refined with additional details and enhancements for a coherent presentation. A comprehensive literature review is also included, comparing the computational complexity of our methods with existing approaches, showcasing their state-of-the-art efficiency. Another contribution of this paper is the release of RCD, a Python package that efficiently implements these algorithms. This package is designed for practitioners and researchers interested in applying these methods in practical scenarios. The package is available at github.com/ban-epfl/rcd, with comprehensive documentation provided at rcdpackage.com.
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CC在計算復雜性方面表現突出。它的學科處于數學與計算機理論科學的交叉點，具有清晰的數學輪廓和嚴格的數學格式。官網鏈接： ·
Processing（編程語言）
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Learning
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AIM
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極小點
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Inverse problems aim to determine parameters from observations, a crucial task in engineering and science. Lately, generative models, especially diffusion models, have gained popularity in this area for their ability to produce realistic solutions and their good mathematical properties. Despite their success, an important drawback of diffusion models is their sensitivity to the choice of variance schedule, which controls the dynamics of the diffusion process. Fine-tuning this schedule for specific applications is crucial but time-costly and does not guarantee an optimal result. We propose a novel approach for learning the schedule as part of the training process. Our method supports probabilistic conditioning on data, provides high-quality solutions, and is flexible, proving able to adapt to different applications with minimum overhead. This approach is tested in two unrelated inverse problems: super-resolution microscopy and quantitative phase imaging, yielding comparable or superior results to previous methods and fine-tuned diffusion models. We conclude that fine-tuning the schedule by experimentation should be avoided because it can be learned during training in a stable way that yields better results.
Information pooling has been extensively formalised across various logical frameworks in distributed systems, characterized by diverse information-sharing patterns. These approaches generally adopt an intersection perspective, aggregating all possible information, regardless of whether it is known or unknown to the agents. In contrast, this work adopts a unique stance, emphasising that sharing knowledge means distributing what is known, rather than what remains uncertain. This paper introduces new modal logics for knowledge pooling and sharing, ranging from a novel language of knowledge pooling to a dynamic mechanism for knowledge sharing. It also outlines their axiomatizations and discusses a potential framework for permissible knowledge pooling.
Affordances, a concept rooted in ecological psychology and pioneered by James J. Gibson, have emerged as a fundamental framework for understanding the dynamic relationship between individuals and their environments. Expanding beyond traditional perceptual and cognitive paradigms, affordances represent the inherent effect and action possibilities that objects offer to the agents within a given context. As a theoretical lens, affordances bridge the gap between effect and action, providing a nuanced understanding of the connections between agents' actions on entities and the effect of these actions. In this study, we propose a model that unifies object, action and effect into a single latent representation in a common latent space that is shared between all affordances that we call the affordance space. Using this affordance space, our system is able to generate effect trajectories when action and object are given and is able to generate action trajectories when effect trajectories and objects are given. In the experiments, we showed that our model does not learn the behavior of each object but it learns the affordance relations shared by the objects that we call equivalences. In addition to simulated experiments, we showed that our model can be used for direct imitation in real world cases. We also propose affordances as a base for Cross Embodiment transfer to link the actions of different robots. Finally, we introduce selective loss as a solution that allows valid outputs to be generated for indeterministic model inputs.
The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.
Breakthroughs in machine learning in the last decade have led to `digital intelligence', i.e. machine learning models capable of learning from vast amounts of labeled data to perform several digital tasks such as speech recognition, face recognition, machine translation and so on. The goal of this thesis is to make progress towards designing algorithms capable of `physical intelligence', i.e. building intelligent autonomous navigation agents capable of learning to perform complex navigation tasks in the physical world involving visual perception, natural language understanding, reasoning, planning, and sequential decision making. Despite several advances in classical navigation methods in the last few decades, current navigation agents struggle at long-term semantic navigation tasks. In the first part of the thesis, we discuss our work on short-term navigation using end-to-end reinforcement learning to tackle challenges such as obstacle avoidance, semantic perception, language grounding, and reasoning. In the second part, we present a new class of navigation methods based on modular learning and structured explicit map representations, which leverage the strengths of both classical and end-to-end learning methods, to tackle long-term navigation tasks. We show that these methods are able to effectively tackle challenges such as localization, mapping, long-term planning, exploration and learning semantic priors. These modular learning methods are capable of long-term spatial and semantic understanding and achieve state-of-the-art results on various navigation tasks.
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.
Deep learning methods for graphs achieve remarkable performance on many node-level and graph-level prediction tasks. However, despite the proliferation of the methods and their success, prevailing Graph Neural Networks (GNNs) neglect subgraphs, rendering subgraph prediction tasks challenging to tackle in many impactful applications. Further, subgraph prediction tasks present several unique challenges, because subgraphs can have non-trivial internal topology, but also carry a notion of position and external connectivity information relative to the underlying graph in which they exist. Here, we introduce SUB-GNN, a subgraph neural network to learn disentangled subgraph representations. In particular, we propose a novel subgraph routing mechanism that propagates neural messages between the subgraph's components and randomly sampled anchor patches from the underlying graph, yielding highly accurate subgraph representations. SUB-GNN specifies three channels, each designed to capture a distinct aspect of subgraph structure, and we provide empirical evidence that the channels encode their intended properties. We design a series of new synthetic and real-world subgraph datasets. Empirical results for subgraph classification on eight datasets show that SUB-GNN achieves considerable performance gains, outperforming strong baseline methods, including node-level and graph-level GNNs, by 12.4% over the strongest baseline. SUB-GNN performs exceptionally well on challenging biomedical datasets when subgraphs have complex topology and even comprise multiple disconnected components.
Recent years have witnessed the emerging success of graph neural networks (GNNs) for modeling structured data. However, most GNNs are designed for homogeneous graphs, in which all nodes and edges belong to the same types, making them infeasible to represent heterogeneous structures. In this paper, we present the Heterogeneous Graph Transformer (HGT) architecture for modeling Web-scale heterogeneous graphs. To model heterogeneity, we design node- and edge-type dependent parameters to characterize the heterogeneous attention over each edge, empowering HGT to maintain dedicated representations for different types of nodes and edges. To handle dynamic heterogeneous graphs, we introduce the relative temporal encoding technique into HGT, which is able to capture the dynamic structural dependency with arbitrary durations. To handle Web-scale graph data, we design the heterogeneous mini-batch graph sampling algorithm---HGSampling---for efficient and scalable training. Extensive experiments on the Open Academic Graph of 179 million nodes and 2 billion edges show that the proposed HGT model consistently outperforms all the state-of-the-art GNN baselines by 9%--21% on various downstream tasks.
We introduce an approach for deep reinforcement learning (RL) that improves upon the efficiency, generalization capacity, and interpretability of conventional approaches through structured perception and relational reasoning. It uses self-attention to iteratively reason about the relations between entities in a scene and to guide a model-free policy. Our results show that in a novel navigation and planning task called Box-World, our agent finds interpretable solutions that improve upon baselines in terms of sample complexity, ability to generalize to more complex scenes than experienced during training, and overall performance. In the StarCraft II Learning Environment, our agent achieves state-of-the-art performance on six mini-games -- surpassing human grandmaster performance on four. By considering architectural inductive biases, our work opens new directions for overcoming important, but stubborn, challenges in deep RL.
Attention networks in multimodal learning provide an efficient way to utilize given visual information selectively. However, the computational cost to learn attention distributions for every pair of multimodal input channels is prohibitively expensive. To solve this problem, co-attention builds two separate attention distributions for each modality neglecting the interaction between multimodal inputs. In this paper, we propose bilinear attention networks (BAN) that find bilinear attention distributions to utilize given vision-language information seamlessly. BAN considers bilinear interactions among two groups of input channels, while low-rank bilinear pooling extracts the joint representations for each pair of channels. Furthermore, we propose a variant of multimodal residual networks to exploit eight-attention maps of the BAN efficiently. We quantitatively and qualitatively evaluate our model on visual question answering (VQA 2.0) and Flickr30k Entities datasets, showing that BAN significantly outperforms previous methods and achieves new state-of-the-arts on both datasets.
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