Gaussian Process Regression (GPR) is widely used in statistics and machine learning for prediction tasks requiring uncertainty measures. Its efficacy depends on the appropriate specification of the mean function, covariance kernel function, and associated hyperparameters. Severe misspecifications can lead to inaccurate results and problematic consequences, especially in safety-critical applications. However, a systematic approach to handle these misspecifications is lacking in the literature. In this work, we propose a general framework to address these issues. Firstly, we introduce a flexible two-stage GPR framework that separates mean prediction and uncertainty quantification (UQ) to prevent mean misspecification, which can introduce bias into the model. Secondly, kernel function misspecification is addressed through a novel automatic kernel search algorithm, supported by theoretical analysis, that selects the optimal kernel from a candidate set. Additionally, we propose a subsampling-based warm-start strategy for hyperparameter initialization to improve efficiency and avoid hyperparameter misspecification. With much lower computational cost, our subsampling-based strategy can yield competitive or better performance than training exclusively on the full dataset. Combining all these components, we recommend two GPR methods-exact and scalable-designed to match available computational resources and specific UQ requirements. Extensive evaluation on real-world datasets, including UCI benchmarks and a safety-critical medical case study, demonstrates the robustness and precision of our methods.
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Equilibrium Propagation (EP) is a biologically plausible local learning algorithm initially developed for convergent recurrent neural networks (RNNs), where weight updates rely solely on the connecting neuron states across two phases. The gradient calculations in EP have been shown to approximate the gradients computed by Backpropagation Through Time (BPTT) when an infinitesimally small nudge factor is used. This property makes EP a powerful candidate for training Spiking Neural Networks (SNNs), which are commonly trained by BPTT. However, in the spiking domain, previous studies on EP have been limited to architectures involving few linear layers. In this work, for the first time we provide a formulation for training convolutional spiking convergent RNNs using EP, bridging the gap between spiking and non-spiking convergent RNNs. We demonstrate that for spiking convergent RNNs, there is a mismatch in the maximum pooling and its inverse operation, leading to inaccurate gradient estimation in EP. Substituting this with average pooling resolves this issue and enables accurate gradient estimation for spiking convergent RNNs. We also highlight the memory efficiency of EP compared to BPTT. In the regime of SNNs trained by EP, our experimental results indicate state-of-the-art performance on the MNIST and FashionMNIST datasets, with test errors of 0.97% and 8.89%, respectively. These results are comparable to those of convergent RNNs and SNNs trained by BPTT. These findings underscore EP as an optimal choice for on-chip training and a biologically-plausible method for computing error gradients.
Semi-supervised learning (SSL) has attracted much attention since it reduces the expensive costs of collecting adequate well-labeled training data, especially for deep learning methods. However, traditional SSL is built upon an assumption that labeled and unlabeled data should be from the same distribution \textit{e.g.,} classes and domains. However, in practical scenarios, unlabeled data would be from unseen classes or unseen domains, and it is still challenging to exploit them by existing SSL methods. Therefore, in this paper, we proposed a unified framework to leverage these unseen unlabeled data for open-scenario semi-supervised medical image classification. We first design a novel scoring mechanism, called dual-path outliers estimation, to identify samples from unseen classes. Meanwhile, to extract unseen-domain samples, we then apply an effective variational autoencoder (VAE) pre-training. After that, we conduct domain adaptation to fully exploit the value of the detected unseen-domain samples to boost semi-supervised training. We evaluated our proposed framework on dermatology and ophthalmology tasks. Extensive experiments demonstrate our model can achieve superior classification performance in various medical SSL scenarios. The code implementations are accessible at: //github.com/PyJulie/USSL4MIC.
The Feynman-Kac Operator Expectation Estimator (FKEE) is an innovative method for estimating the target Mathematical Expectation $\mathbb{E}_{X\sim P}[f(X)]$ without relying on a large number of samples, in contrast to the commonly used Markov Chain Monte Carlo (MCMC) Expectation Estimator. FKEE comprises diffusion bridge models and approximation of the Feynman-Kac operator. The key idea is to use the solution to the Feynmann-Kac equation at the initial time $u(x_0,0)=\mathbb{E}[f(X_T)|X_0=x_0]$. We use Physically Informed Neural Networks (PINN) to approximate the Feynman-Kac operator, which enables the incorporation of diffusion bridge models into the expectation estimator and significantly improves the efficiency of using data while substantially reducing the variance. Diffusion Bridge Model is a more general MCMC method. In order to incorporate extensive MCMC algorithms, we propose a new diffusion bridge model based on the Minimum Wasserstein distance. This diffusion bridge model is universal and reduces the training time of the PINN. FKEE also reduces the adverse impact of the curse of dimensionality and weakens the assumptions on the distribution of $X$ and performance function $f$ in the general MCMC expectation estimator. The theoretical properties of this universal diffusion bridge model are also shown. Finally, we demonstrate the advantages and potential applications of this method through various concrete experiments, including the challenging task of approximating the partition function in the random graph model such as the Ising model.
Segment Anything Model (SAM) has attracted widespread attention for its superior interactive segmentation capabilities with visual prompts while lacking further exploration of text prompts. In this paper, we empirically investigate what text prompt encoders (e.g., CLIP or LLM) are good for adapting SAM for referring expression segmentation and introduce the Early Vision-language Fusion-based SAM (EVF-SAM). EVF-SAM is a simple yet effective referring segmentation method which exploits multimodal prompts (i.e., image and text) and comprises a pre-trained vision-language model to generate referring prompts and a SAM model for segmentation. Surprisingly, we observe that: (1) multimodal prompts and (2) vision-language models with early fusion (e.g., BEIT-3) are beneficial for prompting SAM for accurate referring segmentation. Our experiments show that the proposed EVF-SAM based on BEIT-3 can obtain state-of-the-art performance on RefCOCO/+/g for referring expression segmentation and demonstrate the superiority of prompting SAM with early vision-language fusion. In addition, the proposed EVF-SAM with 1.32B parameters achieves remarkably higher performance while reducing nearly 82% of parameters compared to previous SAM methods based on large multimodal models.
Graph Convolutional Network (GCN) has achieved extraordinary success in learning effective task-specific representations of nodes in graphs. However, regarding Heterogeneous Information Network (HIN), existing HIN-oriented GCN methods still suffer from two deficiencies: (1) they cannot flexibly explore all possible meta-paths and extract the most useful ones for a target object, which hinders both effectiveness and interpretability; (2) they often need to generate intermediate meta-path based dense graphs, which leads to high computational complexity. To address the above issues, we propose an interpretable and efficient Heterogeneous Graph Convolutional Network (ie-HGCN) to learn the representations of objects in HINs. It is designed as a hierarchical aggregation architecture, i.e., object-level aggregation first, followed by type-level aggregation. The novel architecture can automatically extract useful meta-paths for each object from all possible meta-paths (within a length limit), which brings good model interpretability. It can also reduce the computational cost by avoiding intermediate HIN transformation and neighborhood attention. We provide theoretical analysis about the proposed ie-HGCN in terms of evaluating the usefulness of all possible meta-paths, its connection to the spectral graph convolution on HINs, and its quasi-linear time complexity. Extensive experiments on three real network datasets demonstrate the superiority of ie-HGCN over the state-of-the-art methods.
Recent contrastive representation learning methods rely on estimating mutual information (MI) between multiple views of an underlying context. E.g., we can derive multiple views of a given image by applying data augmentation, or we can split a sequence into views comprising the past and future of some step in the sequence. Contrastive lower bounds on MI are easy to optimize, but have a strong underestimation bias when estimating large amounts of MI. We propose decomposing the full MI estimation problem into a sum of smaller estimation problems by splitting one of the views into progressively more informed subviews and by applying the chain rule on MI between the decomposed views. This expression contains a sum of unconditional and conditional MI terms, each measuring modest chunks of the total MI, which facilitates approximation via contrastive bounds. To maximize the sum, we formulate a contrastive lower bound on the conditional MI which can be approximated efficiently. We refer to our general approach as Decomposed Estimation of Mutual Information (DEMI). We show that DEMI can capture a larger amount of MI than standard non-decomposed contrastive bounds in a synthetic setting, and learns better representations in a vision domain and for dialogue generation.
Graph Neural Networks (GNN) is an emerging field for learning on non-Euclidean data. Recently, there has been increased interest in designing GNN that scales to large graphs. Most existing methods use "graph sampling" or "layer-wise sampling" techniques to reduce training time. However, these methods still suffer from degrading performance and scalability problems when applying to graphs with billions of edges. This paper presents GBP, a scalable GNN that utilizes a localized bidirectional propagation process from both the feature vectors and the training/testing nodes. Theoretical analysis shows that GBP is the first method that achieves sub-linear time complexity for both the precomputation and the training phases. An extensive empirical study demonstrates that GBP achieves state-of-the-art performance with significantly less training/testing time. Most notably, GBP can deliver superior performance on a graph with over 60 million nodes and 1.8 billion edges in less than half an hour on a single machine.
Few-shot Knowledge Graph (KG) completion is a focus of current research, where each task aims at querying unseen facts of a relation given its few-shot reference entity pairs. Recent attempts solve this problem by learning static representations of entities and references, ignoring their dynamic properties, i.e., entities may exhibit diverse roles within task relations, and references may make different contributions to queries. This work proposes an adaptive attentional network for few-shot KG completion by learning adaptive entity and reference representations. Specifically, entities are modeled by an adaptive neighbor encoder to discern their task-oriented roles, while references are modeled by an adaptive query-aware aggregator to differentiate their contributions. Through the attention mechanism, both entities and references can capture their fine-grained semantic meanings, and thus render more expressive representations. This will be more predictive for knowledge acquisition in the few-shot scenario. Evaluation in link prediction on two public datasets shows that our approach achieves new state-of-the-art results with different few-shot sizes.
Representation learning on a knowledge graph (KG) is to embed entities and relations of a KG into low-dimensional continuous vector spaces. Early KG embedding methods only pay attention to structured information encoded in triples, which would cause limited performance due to the structure sparseness of KGs. Some recent attempts consider paths information to expand the structure of KGs but lack explainability in the process of obtaining the path representations. In this paper, we propose a novel Rule and Path-based Joint Embedding (RPJE) scheme, which takes full advantage of the explainability and accuracy of logic rules, the generalization of KG embedding as well as the supplementary semantic structure of paths. Specifically, logic rules of different lengths (the number of relations in rule body) in the form of Horn clauses are first mined from the KG and elaborately encoded for representation learning. Then, the rules of length 2 are applied to compose paths accurately while the rules of length 1 are explicitly employed to create semantic associations among relations and constrain relation embeddings. Besides, the confidence level of each rule is also considered in optimization to guarantee the availability of applying the rule to representation learning. Extensive experimental results illustrate that RPJE outperforms other state-of-the-art baselines on KG completion task, which also demonstrate the superiority of utilizing logic rules as well as paths for improving the accuracy and explainability of representation learning.
Multi-relation Question Answering is a challenging task, due to the requirement of elaborated analysis on questions and reasoning over multiple fact triples in knowledge base. In this paper, we present a novel model called Interpretable Reasoning Network that employs an interpretable, hop-by-hop reasoning process for question answering. The model dynamically decides which part of an input question should be analyzed at each hop; predicts a relation that corresponds to the current parsed results; utilizes the predicted relation to update the question representation and the state of the reasoning process; and then drives the next-hop reasoning. Experiments show that our model yields state-of-the-art results on two datasets. More interestingly, the model can offer traceable and observable intermediate predictions for reasoning analysis and failure diagnosis.
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