Gaussian processes provide an elegant framework for specifying prior and posterior distributions over functions. They are, however, also computationally expensive, and limited by the expressivity of their covariance function. We propose Neural Diffusion Processes (NDPs), a novel approach based upon diffusion models, that learn to sample from distributions over functions. Using a novel attention block, we can incorporate properties of stochastic processes, such as exchangeability, directly into the NDP's architecture. We empirically show that NDPs are able to capture functional distributions that are close to the true Bayesian posterior of a Gaussian process. This enables a variety of downstream tasks, including hyperparameter marginalisation and Bayesian optimisation.
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Processing 是一門開源編程語言和與之配套的集成開發環境（IDE）的名稱。Processing 在電子藝術和視覺設計社區被用來教授編程基礎，并運用于大量的新媒體和互動藝術作品中。
Implicit Processes (IPs) represent a flexible framework that can be used to describe a wide variety of models, from Bayesian neural networks, neural samplers and data generators to many others. IPs also allow for approximate inference in function-space. This change of formulation solves intrinsic degenerate problems of parameter-space approximate inference concerning the high number of parameters and their strong dependencies in large models. For this, previous works in the literature have attempted to employ IPs both to set up the prior and to approximate the resulting posterior. However, this has proven to be a challenging task. Existing methods that can tune the prior IP result in a Gaussian predictive distribution, which fails to capture important data patterns. By contrast, methods producing flexible predictive distributions by using another IP to approximate the posterior process cannot tune the prior IP to the observed data. We propose here the first method that can accomplish both goals. For this, we rely on an inducing-point representation of the prior IP, as often done in the context of sparse Gaussian processes. The result is a scalable method for approximate inference with IPs that can tune the prior IP parameters to the data, and that provides accurate non-Gaussian predictive distributions.
Model selection in machine learning (ML) is a crucial part of the Bayesian learning procedure. Model choice may impose strong biases on the resulting predictions, which can hinder the performance of methods such as Bayesian neural networks and neural samplers. On the other hand, newly proposed approaches for Bayesian ML exploit features of approximate inference in function space with implicit stochastic processes (a generalization of Gaussian processes). The approach of Sparse Implicit Processes (SIP) is particularly successful in this regard, since it is fully trainable and achieves flexible predictions. Here, we expand on the original experiments to show that SIP is capable of correcting model bias when the data generating mechanism differs strongly from the one implied by the model. We use synthetic datasets to show that SIP is capable of providing predictive distributions that reflect the data better than the exact predictions of the initial, but wrongly assumed model.
Automated data augmentation, which aims at engineering augmentation policy automatically, recently draw a growing research interest. Many previous auto-augmentation methods utilized a Density Matching strategy by evaluating policies in terms of the test-time augmentation performance. In this paper, we theoretically and empirically demonstrated the inconsistency between the train and validation set of small-scale medical image datasets, referred to as in-domain sampling bias. Next, we demonstrated that the in-domain sampling bias might cause the inefficiency of Density Matching. To address the problem, an improved augmentation search strategy, named Augmented Density Matching, was proposed by randomly sampling policies from a prior distribution for training. Moreover, an efficient automatical machine learning(AutoML) algorithm was proposed by unifying the search on data augmentation and neural architecture. Experimental results indicated that the proposed methods outperformed state-of-the-art approaches on MedMNIST, a pioneering benchmark designed for AutoML in medical image analysis.
Neural architecture search (NAS) aims to automate architecture design processes and improve the performance of deep neural networks. Platform-aware NAS methods consider both performance and complexity and can find well-performing architectures with low computational resources. Although ordinary NAS methods result in tremendous computational costs owing to the repetition of model training, one-shot NAS, which trains the weights of a supernetwork containing all candidate architectures only once during the search process, has been reported to result in a lower search cost. This study focuses on the architecture complexity-aware one-shot NAS that optimizes the objective function composed of the weighted sum of two metrics, such as the predictive performance and number of parameters. In existing methods, the architecture search process must be run multiple times with different coefficients of the weighted sum to obtain multiple architectures with different complexities. This study aims at reducing the search cost associated with finding multiple architectures. The proposed method uses multiple distributions to generate architectures with different complexities and updates each distribution using the samples obtained from multiple distributions based on importance sampling. The proposed method allows us to obtain multiple architectures with different complexities in a single architecture search, resulting in reducing the search cost. The proposed method is applied to the architecture search of convolutional neural networks on the CIAFR-10 and ImageNet datasets. Consequently, compared with baseline methods, the proposed method finds multiple architectures with varying complexities while requiring less computational effort.
The objective of this work is to learn an object-centric video representation, with the aim of improving transferability to novel tasks, i.e., tasks different from the pre-training task of action classification. To this end, we introduce a new object-centric video recognition model based on a transformer architecture. The model learns a set of object-centric summary vectors for the video, and uses these vectors to fuse the visual and spatio-temporal trajectory `modalities' of the video clip. We also introduce a novel trajectory contrast loss to further enhance objectness in these summary vectors. With experiments on four datasets -- SomethingSomething-V2, SomethingElse, Action Genome and EpicKitchens -- we show that the object-centric model outperforms prior video representations (both object-agnostic and object-aware), when: (1) classifying actions on unseen objects and unseen environments; (2) low-shot learning to novel classes; (3) linear probe to other downstream tasks; as well as (4) for standard action classification.
Generating sound effects that humans want is an important topic. However, there are few studies in this area for sound generation. In this study, we investigate generating sound conditioned on a text prompt and propose a novel text-to-sound generation framework that consists of a text encoder, a Vector Quantized Variational Autoencoder (VQ-VAE), a decoder, and a vocoder. The framework first uses the decoder to transfer the text features extracted from the text encoder to a mel-spectrogram with the help of VQ-VAE, and then the vocoder is used to transform the generated mel-spectrogram into a waveform. We found that the decoder significantly influences the generation performance. Thus, we focus on designing a good decoder in this study. We begin with the traditional autoregressive decoder, which has been proved as a state-of-the-art method in previous sound generation works. However, the AR decoder always predicts the mel-spectrogram tokens one by one in order, which introduces the unidirectional bias and accumulation of errors problems. Moreover, with the AR decoder, the sound generation time increases linearly with the sound duration. To overcome the shortcomings introduced by AR decoders, we propose a non-autoregressive decoder based on the discrete diffusion model, named Diffsound. Specifically, the Diffsound predicts all of the mel-spectrogram tokens in one step and then refines the predicted tokens in the next step, so the best-predicted results can be obtained after several steps. Our experiments show that our proposed Diffsound not only produces better text-to-sound generation results when compared with the AR decoder but also has a faster generation speed, e.g., MOS: 3.56 \textit{v.s} 2.786, and the generation speed is five times faster than the AR decoder.
In a desired environmental protection system, groundwater may not be excluded. In addition to the problem of over-exploitation, in total disagreement with the concept of sustainable development, another not negligible issue concerns the groundwater contamination. Mainly, this aspect is due to intensive agricultural activities or industrialized areas. In literature, several papers have dealt with transport problem, especially for inverse problems in which the release history or the source location are identified. The innovative aim of the paper is to develop a data-driven model that is able to analyze multiple scenarios, even strongly non-linear, in order to solve forward and inverse transport problems, preserving the reliability of the results and reducing the uncertainty. Furthermore, this tool has the characteristic of providing extremely fast responses, essential to identify remediation strategies immediately. The advantages produced by the model were compared with literature studies. In this regard, a feedforward artificial neural network, which has been trained to handle different cases, represents the data-driven model. Firstly, to identify the concentration of the pollutant at specific observation points in the study area (forward problem); secondly, to deal with inverse problems identifying the release history at known source location; then, in case of one contaminant source, identifying the release history and, at the same time, the location of the source in a specific sub-domain of the investigated area. At last, the observation error is investigated and estimated. The results are satisfactorily achieved, highlighting the capability of the ANN to deal with multiple scenarios by approximating nonlinear functions without the physical point of view that describes the phenomenon, providing reliable results, with very low computational burden and uncertainty.
Link prediction is a very fundamental task on graphs. Inspired by traditional path-based methods, in this paper we propose a general and flexible representation learning framework based on paths for link prediction. Specifically, we define the representation of a pair of nodes as the generalized sum of all path representations, with each path representation as the generalized product of the edge representations in the path. Motivated by the Bellman-Ford algorithm for solving the shortest path problem, we show that the proposed path formulation can be efficiently solved by the generalized Bellman-Ford algorithm. To further improve the capacity of the path formulation, we propose the Neural Bellman-Ford Network (NBFNet), a general graph neural network framework that solves the path formulation with learned operators in the generalized Bellman-Ford algorithm. The NBFNet parameterizes the generalized Bellman-Ford algorithm with 3 neural components, namely INDICATOR, MESSAGE and AGGREGATE functions, which corresponds to the boundary condition, multiplication operator, and summation operator respectively. The NBFNet is very general, covers many traditional path-based methods, and can be applied to both homogeneous graphs and multi-relational graphs (e.g., knowledge graphs) in both transductive and inductive settings. Experiments on both homogeneous graphs and knowledge graphs show that the proposed NBFNet outperforms existing methods by a large margin in both transductive and inductive settings, achieving new state-of-the-art results.
Graph Neural Networks (GNNs) have received considerable attention on graph-structured data learning for a wide variety of tasks. The well-designed propagation mechanism which has been demonstrated effective is the most fundamental part of GNNs. Although most of GNNs basically follow a message passing manner, litter effort has been made to discover and analyze their essential relations. In this paper, we establish a surprising connection between different propagation mechanisms with a unified optimization problem, showing that despite the proliferation of various GNNs, in fact, their proposed propagation mechanisms are the optimal solution optimizing a feature fitting function over a wide class of graph kernels with a graph regularization term. Our proposed unified optimization framework, summarizing the commonalities between several of the most representative GNNs, not only provides a macroscopic view on surveying the relations between different GNNs, but also further opens up new opportunities for flexibly designing new GNNs. With the proposed framework, we discover that existing works usually utilize naive graph convolutional kernels for feature fitting function, and we further develop two novel objective functions considering adjustable graph kernels showing low-pass or high-pass filtering capabilities respectively. Moreover, we provide the convergence proofs and expressive power comparisons for the proposed models. Extensive experiments on benchmark datasets clearly show that the proposed GNNs not only outperform the state-of-the-art methods but also have good ability to alleviate over-smoothing, and further verify the feasibility for designing GNNs with our unified optimization framework.
Graph Neural Networks (GNN) has demonstrated the superior performance in many challenging applications, including the few-shot learning tasks. Despite its powerful capacity to learn and generalize from few samples, GNN usually suffers from severe over-fitting and over-smoothing as the model becomes deep, which limit the model scalability. In this work, we propose a novel Attentive GNN to tackle these challenges, by incorporating a triple-attention mechanism, \ie node self-attention, neighborhood attention, and layer memory attention. We explain why the proposed attentive modules can improve GNN for few-shot learning with theoretical analysis and illustrations. Extensive experiments show that the proposed Attentive GNN outperforms the state-of-the-art GNN-based methods for few-shot learning over the mini-ImageNet and Tiered-ImageNet datasets, with both inductive and transductive settings.
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