Gaussian processes (GPs) are non-parametric probabilistic regression models that are popular due to their flexibility, data efficiency, and well-calibrated uncertainty estimates. However, standard GP models assume homoskedastic Gaussian noise, while many real-world applications are subject to non-Gaussian corruptions. Variants of GPs that are more robust to alternative noise models have been proposed, and entail significant trade-offs between accuracy and robustness, and between computational requirements and theoretical guarantees. In this work, we propose and study a GP model that achieves robustness against sparse outliers by inferring data-point-specific noise levels with a sequential selection procedure maximizing the log marginal likelihood that we refer to as relevance pursuit. We show, surprisingly, that the model can be parameterized such that the associated log marginal likelihood is strongly concave in the data-point-specific noise variances, a property rarely found in either robust regression objectives or GP marginal likelihoods. This in turn implies the weak submodularity of the corresponding subset selection problem, and thereby proves approximation guarantees for the proposed algorithm. We compare the model's performance relative to other approaches on diverse regression and Bayesian optimization tasks, including the challenging but common setting of sparse corruptions of the labels within or close to the function range.
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Data generation is a fundamental research problem in data management due to its diverse use cases, ranging from testing database engines to data-specific applications. However, real-world entities often involve complex interactions that cannot be effectively modeled by traditional tabular data. Therefore, graph data generation has attracted increasing attention recently. Although various graph generators have been proposed in the literature, there are three limitations: i) They cannot capture the co-evolution pattern of graph structure and node attributes. ii) Few of them consider edge direction, leading to substantial information loss. iii) Current state-of-the-art dynamic graph generators are based on the temporal random walk, making the simulation process time-consuming. To fill the research gap, we introduce VRDAG, a novel variational recurrent framework for efficient dynamic attributed graph generation. Specifically, we design a bidirectional message-passing mechanism to encode both directed structural knowledge and attribute information of a snapshot. Then, the temporal dependency in the graph sequence is captured by a recurrence state updater, generating embeddings that can preserve the evolution pattern of early graphs. Based on the hidden node embeddings, a conditional variational Bayesian method is developed to sample latent random variables at the neighboring timestep for new snapshot generation. The proposed generation paradigm avoids the time-consuming path sampling and merging process in existing random walk-based methods, significantly reducing the synthesis time. Finally, comprehensive experiments on real-world datasets are conducted to demonstrate the effectiveness and efficiency of the proposed model.
Central to rough path theory is the signature transform of a path, an infinite series of tensors given by the iterated integrals of the underlying path. The signature poses an effective way to capture sequentially ordered information, thanks both to its rich analytic and algebraic properties as well as its universality when used as a basis to approximate functions on path space. Whilst a truncated version of the signature can be efficiently computed using Chen's identity, there is a lack of efficient methods for computing a sparse collection of iterated integrals contained in high levels of the signature. We address this problem by leveraging signature kernels, defined as the inner product of two signatures, and computable efficiently by means of PDE-based methods. By forming a filter in signature space with which to take kernels, one can effectively isolate specific groups of signature coefficients and, in particular, a singular coefficient at any depth of the transform. We show that such a filter can be expressed as a linear combination of suitable signature transforms and demonstrate empirically the effectiveness of our approach. To conclude, we give an example use case for sparse collections of signature coefficients based on the construction of N-step Euler schemes for sparse CDEs.
Visual anomaly detection (AD) presents significant challenges due to the scarcity of anomalous data samples. While numerous works have been proposed to synthesize anomalous samples, these synthetic anomalies often lack authenticity or require extensive training data, limiting their applicability in real-world scenarios. In this work, we propose Anomaly Anything (AnomalyAny), a novel framework that leverages Stable Diffusion (SD)'s image generation capabilities to generate diverse and realistic unseen anomalies. By conditioning on a single normal sample during test time, AnomalyAny is able to generate unseen anomalies for arbitrary object types with text descriptions. Within AnomalyAny, we propose attention-guided anomaly optimization to direct SD attention on generating hard anomaly concepts. Additionally, we introduce prompt-guided anomaly refinement, incorporating detailed descriptions to further improve the generation quality. Extensive experiments on MVTec AD and VisA datasets demonstrate AnomalyAny's ability in generating high-quality unseen anomalies and its effectiveness in enhancing downstream AD performance.
Probabilistic Circuits (PCs) are a unified framework for tractable probabilistic models that support efficient computation of various probabilistic queries (e.g., marginal probabilities). One key challenge is to scale PCs to model large and high-dimensional real-world datasets: we observe that as the number of parameters in PCs increases, their performance immediately plateaus. This phenomenon suggests that the existing optimizers fail to exploit the full expressive power of large PCs. We propose to overcome such bottleneck by latent variable distillation: we leverage the less tractable but more expressive deep generative models to provide extra supervision over the latent variables of PCs. Specifically, we extract information from Transformer-based generative models to assign values to latent variables of PCs, providing guidance to PC optimizers. Experiments on both image and language modeling benchmarks (e.g., ImageNet and WikiText-2) show that latent variable distillation substantially boosts the performance of large PCs compared to their counterparts without latent variable distillation. In particular, on the image modeling benchmarks, PCs achieve competitive performance against some of the widely-used deep generative models, including variational autoencoders and flow-based models, opening up new avenues for tractable generative modeling. Our code can be found at //github.com/UCLA-StarAI/LVD.
Recent advanced large language models (LLMs) have showcased their emergent capability of in-context learning, facilitating intelligent decision-making through natural language prompts without retraining. This new machine learning paradigm has shown promise in various fields, including general control and optimization problems. Inspired by these advancements, we explore the potential of LLMs for a specific and essential engineering task: parametric shape optimization (PSO). We develop an optimization framework, LLM-PSO, that leverages an LLM to determine the optimal shape of parameterized engineering designs in the spirit of evolutionary strategies. Utilizing the ``Claude 3.5 Sonnet'' LLM, we evaluate LLM-PSO on two benchmark flow optimization problems, specifically aiming to identify drag-minimizing profiles for 1) a two-dimensional airfoil in laminar flow, and 2) a three-dimensional axisymmetric body in Stokes flow. In both cases, LLM-PSO successfully identifies optimal shapes in agreement with benchmark solutions. Besides, it generally converges faster than other classical optimization algorithms. Our preliminary exploration may inspire further investigations into harnessing LLMs for shape optimization and engineering design more broadly.
The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.
Recent advances in maximizing mutual information (MI) between the source and target have demonstrated its effectiveness in text generation. However, previous works paid little attention to modeling the backward network of MI (i.e., dependency from the target to the source), which is crucial to the tightness of the variational information maximization lower bound. In this paper, we propose Adversarial Mutual Information (AMI): a text generation framework which is formed as a novel saddle point (min-max) optimization aiming to identify joint interactions between the source and target. Within this framework, the forward and backward networks are able to iteratively promote or demote each other's generated instances by comparing the real and synthetic data distributions. We also develop a latent noise sampling strategy that leverages random variations at the high-level semantic space to enhance the long term dependency in the generation process. Extensive experiments based on different text generation tasks demonstrate that the proposed AMI framework can significantly outperform several strong baselines, and we also show that AMI has potential to lead to a tighter lower bound of maximum mutual information for the variational information maximization problem.
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.
It is always well believed that modeling relationships between objects would be helpful for representing and eventually describing an image. Nevertheless, there has not been evidence in support of the idea on image description generation. In this paper, we introduce a new design to explore the connections between objects for image captioning under the umbrella of attention-based encoder-decoder framework. Specifically, we present Graph Convolutional Networks plus Long Short-Term Memory (dubbed as GCN-LSTM) architecture that novelly integrates both semantic and spatial object relationships into image encoder. Technically, we build graphs over the detected objects in an image based on their spatial and semantic connections. The representations of each region proposed on objects are then refined by leveraging graph structure through GCN. With the learnt region-level features, our GCN-LSTM capitalizes on LSTM-based captioning framework with attention mechanism for sentence generation. Extensive experiments are conducted on COCO image captioning dataset, and superior results are reported when comparing to state-of-the-art approaches. More remarkably, GCN-LSTM increases CIDEr-D performance from 120.1% to 128.7% on COCO testing set.
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.
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