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Bayesian optimization has attracted huge attention from diverse research areas in science and engineering, since it is capable of finding a global optimum of an expensive-to-evaluate black-box function efficiently. In general, a probabilistic regression model, e.g., Gaussian processes and Bayesian neural networks, is widely used as a surrogate function to model an explicit distribution over function evaluations given an input to estimate and a training dataset. Beyond the probabilistic regression-based Bayesian optimization, density ratio estimation-based Bayesian optimization has been suggested in order to estimate a density ratio of the groups relatively close and relatively far to a global optimum. Developing this line of research further, a supervised classifier can be employed to estimate a class probability for the two groups instead of a density ratio. However, the supervised classifiers used in this strategy are prone to be overconfident for a global solution candidate. To solve this problem, we propose density ratio estimation-based Bayesian optimization with semi-supervised learning. Finally, we demonstrate the experimental results of our methods and several baseline methods in two distinct scenarios with unlabeled point sampling and a fixed-size pool.

Quantization has emerged as a promising direction for model compression. Recently, data-free quantization has been widely studied as a promising method to avoid privacy concerns, which synthesizes images as an alternative to real training data. Existing methods use classification loss to ensure the reliability of the synthesized images. Unfortunately, even if these images are well-classified by the pre-trained model, they still suffer from low semantics and homogenization issues. Intuitively, these low-semantic images are sensitive to perturbations, and the pre-trained model tends to have inconsistent output when the generator synthesizes an image with poor semantics. To this end, we propose Robustness-Guided Image Synthesis (RIS), a simple but effective method to enrich the semantics of synthetic images and improve image diversity, further boosting the performance of downstream data-free compression tasks. Concretely, we first introduce perturbations on input and model weight, then define the inconsistency metrics at feature and prediction levels before and after perturbations. On the basis of inconsistency on two levels, we design a robustness optimization objective to enhance the semantics of synthetic images. Moreover, we also make our approach diversity-aware by forcing the generator to synthesize images with small correlations in the label space. With RIS, we achieve state-of-the-art performance for various settings on data-free quantization and can be extended to other data-free compression tasks.

Preserving individual privacy while enabling collaborative data sharing is crucial for organizations. Synthetic data generation is one solution, producing artificial data that mirrors the statistical properties of private data. While numerous techniques have been devised under differential privacy, they predominantly assume data is centralized. However, data is often distributed across multiple clients in a federated manner. In this work, we initiate the study of federated synthetic tabular data generation. Building upon a SOTA central method known as AIM, we present DistAIM and FLAIM. We show it is straightforward to distribute AIM, extending a recent approach based on secure multi-party computation which necessitates additional overhead, making it less suited to federated scenarios. We then demonstrate that naively federating AIM can lead to substantial degradation in utility under the presence of heterogeneity. To mitigate both issues, we propose an augmented FLAIM approach that maintains a private proxy of heterogeneity. We simulate our methods across a range of benchmark datasets under different degrees of heterogeneity and show this can improve utility while reducing overhead.

The term emotion analysis in text subsumes various natural language processing tasks which have in common the goal to enable computers to understand emotions. Most popular is emotion classification in which one or multiple emotions are assigned to a predefined textual unit. While such setting is appropriate to identify the reader's or author's emotion, emotion role labeling adds the perspective of mentioned entities and extracts text spans that correspond to the emotion cause. The underlying emotion theories agree on one important point; that an emotion is caused by some internal or external event and comprises several subcomponents, including the subjective feeling and a cognitive evaluation. We therefore argue that emotions and events are related in two ways. (1) Emotions are events; and this perspective is the fundament in NLP for emotion role labeling. (2) Emotions are caused by events; a perspective that is made explicit with research how to incorporate psychological appraisal theories in NLP models to interpret events. These two research directions, role labeling and (event-focused) emotion classification, have by and large been tackled separately. We contributed to both directions with the projects SEAT (Structured Multi-Domain Emotion Analysis from Text) and CEAT (Computational Event Evaluation based on Appraisal Theories for Emotion Analysis), both funded by the German Research Foundation. In this paper, we consolidate the findings and discuss open research directions.

State-of-the-art (SOTA) object detection methods have succeeded in several applications at the price of relying on heavyweight neural networks, which makes them inefficient and inviable for many applications with computational resource constraints. This work presents a method to build a Convolutional Neural Network (CNN) layer by layer for object detection from user-drawn markers on discriminative regions of representative images. We address the detection of Schistosomiasis mansoni eggs in microscopy images of fecal samples, and the detection of ships in satellite images as application examples. We could create a flyweight CNN without backpropagation from very few input images. Our method explores a recent methodology, Feature Learning from Image Markers (FLIM), to build convolutional feature extractors (encoders) from marker pixels. We extend FLIM to include a single-layer adaptive decoder, whose weights vary with the input image -- a concept never explored in CNNs. Our CNN weighs thousands of times less than SOTA object detectors, being suitable for CPU execution and showing superior or equivalent performance to three methods in five measures.

Contrastive loss has been increasingly used in learning representations from multiple modalities. In the limit, the nature of the contrastive loss encourages modalities to exactly match each other in the latent space. Yet it remains an open question how the modality alignment affects the downstream task performance. In this paper, based on an information-theoretic argument, we first prove that exact modality alignment is sub-optimal in general for downstream prediction tasks. Hence we advocate that the key of better performance lies in meaningful latent modality structures instead of perfect modality alignment. To this end, we propose three general approaches to construct latent modality structures. Specifically, we design 1) a deep feature separation loss for intra-modality regularization; 2) a Brownian-bridge loss for inter-modality regularization; and 3) a geometric consistency loss for both intra- and inter-modality regularization. Extensive experiments are conducted on two popular multi-modal representation learning frameworks: the CLIP-based two-tower model and the ALBEF-based fusion model. We test our model on a variety of tasks including zero/few-shot image classification, image-text retrieval, visual question answering, visual reasoning, and visual entailment. Our method achieves consistent improvements over existing methods, demonstrating the effectiveness and generalizability of our proposed approach on latent modality structure regularization.

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.

Out-of-distribution (OOD) detection is critical to ensuring the reliability and safety of machine learning systems. For instance, in autonomous driving, we would like the driving system to issue an alert and hand over the control to humans when it detects unusual scenes or objects that it has never seen before and cannot make a safe decision. This problem first emerged in 2017 and since then has received increasing attention from the research community, leading to a plethora of methods developed, ranging from classification-based to density-based to distance-based ones. Meanwhile, several other problems are closely related to OOD detection in terms of motivation and methodology. These include anomaly detection (AD), novelty detection (ND), open set recognition (OSR), and outlier detection (OD). Despite having different definitions and problem settings, these problems often confuse readers and practitioners, and as a result, some existing studies misuse terms. In this survey, we first present a generic framework called generalized OOD detection, which encompasses the five aforementioned problems, i.e., AD, ND, OSR, OOD detection, and OD. Under our framework, these five problems can be seen as special cases or sub-tasks, and are easier to distinguish. Then, we conduct a thorough review of each of the five areas by summarizing their recent technical developments. We conclude this survey with open challenges and potential research directions.

The essence of multivariate sequential learning is all about how to extract dependencies in data. These data sets, such as hourly medical records in intensive care units and multi-frequency phonetic time series, often time exhibit not only strong serial dependencies in the individual components (the "marginal" memory) but also non-negligible memories in the cross-sectional dependencies (the "joint" memory). Because of the multivariate complexity in the evolution of the joint distribution that underlies the data generating process, we take a data-driven approach and construct a novel recurrent network architecture, termed Memory-Gated Recurrent Networks (mGRN), with gates explicitly regulating two distinct types of memories: the marginal memory and the joint memory. Through a combination of comprehensive simulation studies and empirical experiments on a range of public datasets, we show that our proposed mGRN architecture consistently outperforms state-of-the-art architectures targeting multivariate time series.

Recently, ensemble has been applied to deep metric learning to yield state-of-the-art results. Deep metric learning aims to learn deep neural networks for feature embeddings, distances of which satisfy given constraint. In deep metric learning, ensemble takes average of distances learned by multiple learners. As one important aspect of ensemble, the learners should be diverse in their feature embeddings. To this end, we propose an attention-based ensemble, which uses multiple attention masks, so that each learner can attend to different parts of the object. We also propose a divergence loss, which encourages diversity among the learners. The proposed method is applied to the standard benchmarks of deep metric learning and experimental results show that it outperforms the state-of-the-art methods by a significant margin on image retrieval tasks.