Bayesian neural network (BNN) approximates the posterior distribution of model parameters and utilizes the posterior for prediction via Bayesian Model Averaging (BMA). The quality of the posterior approximation is critical for achieving accurate and robust predictions. It is known that flatness in the loss landscape is strongly associated with generalization performance, and it necessitates consideration to improve the quality of the posterior approximation. In this work, we empirically demonstrate that BNNs often struggle to capture the flatness. Moreover, we provide both experimental and theoretical evidence showing that BMA can be ineffective without ensuring flatness. To address this, we propose Sharpness-Aware Bayesian Model Averaging (SA-BMA), a novel optimizer that seeks flat posteriors by calculating divergence in the parameter space. SA-BMA aligns with the intrinsic nature of BNN and the generalized version of existing sharpness-aware optimizers for DNN. In addition, we suggest a Bayesian Transfer Learning scheme to efficiently leverage pre-trained DNN. We validate the efficacy of SA-BMA in enhancing generalization performance in few-shot classification and distribution shift by ensuring flat posterior.
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Current causal discovery approaches require restrictive model assumptions or assume access to interventional data to ensure structure identifiability. These assumptions often do not hold in real-world applications leading to a loss of guarantees and poor accuracy in practice. Recent work has shown that, in the bivariate case, Bayesian model selection can greatly improve accuracy by exchanging restrictive modelling for more flexible assumptions, at the cost of a small probability of error. We extend the Bayesian model selection approach to the important multivariate setting by making the large discrete selection problem scalable through a continuous relaxation. We demonstrate how for our choice of Bayesian non-parametric model, the Causal Gaussian Process Conditional Density Estimator (CGP-CDE), an adjacency matrix can be constructed from the model hyperparameters. This adjacency matrix is then optimised using the marginal likelihood and an acyclicity regulariser, outputting the maximum a posteriori causal graph. We demonstrate the competitiveness of our approach on both synthetic and real-world datasets, showing it is possible to perform multivariate causal discovery without infeasible assumptions using Bayesian model selection.
This work addresses the fundamental linear inverse problem in compressive sensing (CS) by introducing a new type of regularizing generative prior. Our proposed method utilizes ideas from classical dictionary-based CS and, in particular, sparse Bayesian learning (SBL), to integrate a strong regularization towards sparse solutions. At the same time, by leveraging the notion of conditional Gaussianity, it also incorporates the adaptability from generative models to training data. However, unlike most state-of-the-art generative models, it is able to learn from a few compressed and noisy data samples and requires no optimization algorithm for solving the inverse problem. Additionally, similar to Dirichlet prior networks, our model parameterizes a conjugate prior enabling its application for uncertainty quantification. We support our approach theoretically through the concept of variational inference and validate it empirically using different types of compressible signals.
The alignment of large language models (LLMs) is crucial for generating helpful and harmless content. Existing approaches leverage preference-based human feedback data to learn the reward function and align the LLM with the feedback data. However, these approaches focus on modeling the reward difference between the chosen and rejected demonstrations, rather than directly modeling the true reward from each demonstration. Moreover, these approaches assume that the reward is only obtained at the end of the sentence, which overlooks the modeling of intermediate rewards. These issues lead to insufficient use of training signals in the feedback data, limiting the representation and generalization ability of the reward and potentially resulting in reward hacking. In this paper, we formulate LLM alignment as a Bayesian Inverse Reinforcement Learning (BIRL) problem and propose a novel training objective, Approximated Variational Alignment (AVA), to perform LLM alignment through Approximated Variational Reward Imitation Learning (AVRIL). The BIRL formulation facilitates intermediate reward modeling and direct reward modeling on each single demonstration, which enhances the utilization of training signals in the feedback data. Experiments show that AVA outperforms existing LLM alignment approaches in reward modeling, RL fine-tuning, and direct optimization.
We introduce a methodology for performing parameter inference in high-dimensional, non-linear diffusion processes. We illustrate its applicability for obtaining insights into the evolution of and relationships between species, including ancestral state reconstruction. Estimation is performed by utilising score matching to approximate diffusion bridges, which are subsequently used in an importance sampler to estimate log-likelihoods. The entire setup is differentiable, allowing gradient ascent on approximated log-likelihoods. This allows both parameter inference and diffusion mean estimation. This novel, numerically stable, score matching-based parameter inference framework is presented and demonstrated on biological two- and three-dimensional morphometry data.
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.
This paper presents a new approach for assembling graph neural networks based on framelet transforms. The latter provides a multi-scale representation for graph-structured data. With the framelet system, we can decompose the graph feature into low-pass and high-pass frequencies as extracted features for network training, which then defines a framelet-based graph convolution. The framelet decomposition naturally induces a graph pooling strategy by aggregating the graph feature into low-pass and high-pass spectra, which considers both the feature values and geometry of the graph data and conserves the total information. The graph neural networks with the proposed framelet convolution and pooling achieve state-of-the-art performance in many types of node and graph prediction tasks. Moreover, we propose shrinkage as a new activation for the framelet convolution, which thresholds the high-frequency information at different scales. Compared to ReLU, shrinkage in framelet convolution improves the graph neural network model in terms of denoising and signal compression: noises in both node and structure can be significantly reduced by accurately cutting off the high-pass coefficients from framelet decomposition, and the signal can be compressed to less than half its original size with the prediction performance well preserved.
Knowledge graph (KG) embedding encodes the entities and relations from a KG into low-dimensional vector spaces to support various applications such as KG completion, question answering, and recommender systems. In real world, knowledge graphs (KGs) are dynamic and evolve over time with addition or deletion of triples. However, most existing models focus on embedding static KGs while neglecting dynamics. To adapt to the changes in a KG, these models need to be re-trained on the whole KG with a high time cost. In this paper, to tackle the aforementioned problem, we propose a new context-aware Dynamic Knowledge Graph Embedding (DKGE) method which supports the embedding learning in an online fashion. DKGE introduces two different representations (i.e., knowledge embedding and contextual element embedding) for each entity and each relation, in the joint modeling of entities and relations as well as their contexts, by employing two attentive graph convolutional networks, a gate strategy, and translation operations. This effectively helps limit the impacts of a KG update in certain regions, not in the entire graph, so that DKGE can rapidly acquire the updated KG embedding by a proposed online learning algorithm. Furthermore, DKGE can also learn KG embedding from scratch. Experiments on the tasks of link prediction and question answering in a dynamic environment demonstrate the effectiveness and efficiency of DKGE.
Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such a graph-structure is available. In practice, however, real-world graphs are often noisy and incomplete or might not be available at all. With this work, we propose to jointly learn the graph structure and the parameters of graph convolutional networks (GCNs) by approximately solving a bilevel program that learns a discrete probability distribution on the edges of the graph. This allows one to apply GCNs not only in scenarios where the given graph is incomplete or corrupted but also in those where a graph is not available. We conduct a series of experiments that analyze the behavior of the proposed method and demonstrate that it outperforms related methods by a significant margin.
We investigate a lattice-structured LSTM model for Chinese NER, which encodes a sequence of input characters as well as all potential words that match a lexicon. Compared with character-based methods, our model explicitly leverages word and word sequence information. Compared with word-based methods, lattice LSTM does not suffer from segmentation errors. Gated recurrent cells allow our model to choose the most relevant characters and words from a sentence for better NER results. Experiments on various datasets show that lattice LSTM outperforms both word-based and character-based LSTM baselines, achieving the best results.
The dominant sequence transduction models are based on complex recurrent or convolutional neural networks in an encoder-decoder configuration. The best performing models also connect the encoder and decoder through an attention mechanism. We propose a new simple network architecture, the Transformer, based solely on attention mechanisms, dispensing with recurrence and convolutions entirely. Experiments on two machine translation tasks show these models to be superior in quality while being more parallelizable and requiring significantly less time to train. Our model achieves 28.4 BLEU on the WMT 2014 English-to-German translation task, improving over the existing best results, including ensembles by over 2 BLEU. On the WMT 2014 English-to-French translation task, our model establishes a new single-model state-of-the-art BLEU score of 41.8 after training for 3.5 days on eight GPUs, a small fraction of the training costs of the best models from the literature. We show that the Transformer generalizes well to other tasks by applying it successfully to English constituency parsing both with large and limited training data.
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