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The learning of Gaussian Mixture Models (also referred to simply as GMMs) plays an important role in machine learning. Known for their expressiveness and interpretability, Gaussian mixture models have a wide range of applications, from statistics, computer vision to distributional reinforcement learning. However, as of today, few known algorithms can fit or learn these models, some of which include Expectation-Maximization algorithms and Sliced Wasserstein Distance. Even fewer algorithms are compatible with gradient descent, the common learning process for neural networks. In this paper, we derive a closed formula of two GMMs in the univariate, one-dimensional case, then propose a distance function called Sliced Cram\'er 2-distance for learning general multivariate GMMs. Our approach has several advantages over many previous methods. First, it has a closed-form expression for the univariate case and is easy to compute and implement using common machine learning libraries (e.g., PyTorch and TensorFlow). Second, it is compatible with gradient descent, which enables us to integrate GMMs with neural networks seamlessly. Third, it can fit a GMM not only to a set of data points, but also to another GMM directly, without sampling from the target model. And fourth, it has some theoretical guarantees like global gradient boundedness and unbiased sampling gradient. These features are especially useful for distributional reinforcement learning and Deep Q Networks, where the goal is to learn a distribution over future rewards. We will also construct a Gaussian Mixture Distributional Deep Q Network as a toy example to demonstrate its effectiveness. Compared with previous models, this model is parameter efficient in terms of representing a distribution and possesses better interpretability.

We study the problem of Out-of-Distribution (OOD) detection, that is, detecting whether a learning algorithm's output can be trusted at inference time. While a number of tests for OOD detection have been proposed in prior work, a formal framework for studying this problem is lacking. We propose a definition for the notion of OOD that includes both the input distribution and the learning algorithm, which provides insights for the construction of powerful tests for OOD detection. We propose a multiple hypothesis testing inspired procedure to systematically combine any number of different statistics from the learning algorithm using conformal p-values. We further provide strong guarantees on the probability of incorrectly classifying an in-distribution sample as OOD. In our experiments, we find that threshold-based tests proposed in prior work perform well in specific settings, but not uniformly well across different types of OOD instances. In contrast, our proposed method that combines multiple statistics performs uniformly well across different datasets and neural networks.

The Schr\"{o}dinger equation with random potentials is a fundamental model for understanding the behaviour of particles in disordered systems. Disordered media are characterised by complex potentials that lead to the localisation of wavefunctions, also called Anderson localisation. These wavefunctions may have similar scales of eigenenergies which poses difficulty in their discovery. It has been a longstanding challenge due to the high computational cost and complexity of solving the Schr\"{o}dinger equation. Recently, machine-learning tools have been adopted to tackle these challenges. In this paper, based upon recent advances in machine learning, we present a novel approach for discovering localised eigenstates in disordered media using physics-informed neural networks (PINNs). We focus on the spectral approximation of Hamiltonians in one dimension with potentials that are randomly generated according to the Bernoulli, normal, and uniform distributions. We introduce a novel feature to the loss function that exploits known physical phenomena occurring in these regions to scan across the domain and successfully discover these eigenstates, regardless of the similarity of their eigenenergies. We present various examples to demonstrate the performance of the proposed approach and compare it with isogeometric analysis.

The number of modes in a probability density function is representative of the model's complexity and can also be viewed as the number of existing subpopulations. Despite its relevance, little research has been devoted to its estimation. Focusing on the univariate setting, we propose a novel approach targeting prediction accuracy inspired by some overlooked aspects of the problem. We argue for the need for structure in the solutions, the subjective and uncertain nature of modes, and the convenience of a holistic view blending global and local density properties. Our method builds upon a combination of flexible kernel estimators and parsimonious compositional splines. Feature exploration, model selection and mode testing are implemented in the Bayesian inference paradigm, providing soft solutions and allowing to incorporate expert judgement in the process. The usefulness of our proposal is illustrated through a case study in sports analytics, showcasing multiple companion visualisation tools. A thorough simulation study demonstrates that traditional modality-driven approaches paradoxically struggle to provide accurate results. In this context, our method emerges as a top-tier alternative offering innovative solutions for analysts.

Large language models~(LLM) like ChatGPT have become indispensable to artificial general intelligence~(AGI), demonstrating excellent performance in various natural language processing tasks. In the real world, graph data is ubiquitous and an essential part of AGI and prevails in domains like social network analysis, bioinformatics and recommender systems. The training corpus of large language models often includes some algorithmic components, which allows them to achieve certain effects on some graph data-related problems. However, there is still little research on their performance on a broader range of graph-structured data. In this study, we conduct an extensive investigation to assess the proficiency of LLMs in comprehending graph data, employing a diverse range of structural and semantic-related tasks. Our analysis encompasses 10 distinct tasks that evaluate the LLMs' capabilities in graph understanding. Through our study, we not only uncover the current limitations of language models in comprehending graph structures and performing associated reasoning tasks but also emphasize the necessity for further advancements and novel approaches to enhance their graph processing capabilities. Our findings contribute valuable insights towards bridging the gap between language models and graph understanding, paving the way for more effective graph mining and knowledge extraction.

We propose a hierarchical local electricity market (LEM) at the primary and secondary feeder levels in a distribution grid, to optimally coordinate and schedule distributed energy resources (DER) and provide valuable grid services like voltage control. At the primary level, we use a current injection-based model that is valid for both radial and meshed, balanced and unbalanced, multi-phase systems. The primary and secondary markets leverage the flexibility offered by DERs to optimize grid operation and maximize social welfare. Numerical simulations on an IEEE-123 bus modified to include DERs, show that the LEM successfully achieves voltage control and reduces overall network costs, while also allowing us to decompose the price and value associated with different grid services so as to accurately compensate DERs.

Deep neural networks are inherently opaque and challenging to interpret. Unlike hand-crafted feature-based models, we struggle to comprehend the concepts learned and how they interact within these models. This understanding is crucial not only for debugging purposes but also for ensuring fairness in ethical decision-making. In our study, we conduct a post-hoc functional interpretability analysis of pretrained speech models using the probing framework [1]. Specifically, we analyze utterance-level representations of speech models trained for various tasks such as speaker recognition and dialect identification. We conduct layer and neuron-wise analyses, probing for speaker, language, and channel properties. Our study aims to answer the following questions: i) what information is captured within the representations? ii) how is it represented and distributed? and iii) can we identify a minimal subset of the network that possesses this information? Our results reveal several novel findings, including: i) channel and gender information are distributed across the network, ii) the information is redundantly available in neurons with respect to a task, iii) complex properties such as dialectal information are encoded only in the task-oriented pretrained network, iv) and is localised in the upper layers, v) we can extract a minimal subset of neurons encoding the pre-defined property, vi) salient neurons are sometimes shared between properties, vii) our analysis highlights the presence of biases (for example gender) in the network. Our cross-architectural comparison indicates that: i) the pretrained models capture speaker-invariant information, and ii) CNN models are competitive with Transformer models in encoding various understudied properties.

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.

In recent years, Face Image Quality Assessment (FIQA) has become an indispensable part of the face recognition system to guarantee the stability and reliability of recognition performance in an unconstrained scenario. For this purpose, the FIQA method should consider both the intrinsic property and the recognizability of the face image. Most previous works aim to estimate the sample-wise embedding uncertainty or pair-wise similarity as the quality score, which only considers the information from partial intra-class. However, these methods ignore the valuable information from the inter-class, which is for estimating to the recognizability of face image. In this work, we argue that a high-quality face image should be similar to its intra-class samples and dissimilar to its inter-class samples. Thus, we propose a novel unsupervised FIQA method that incorporates Similarity Distribution Distance for Face Image Quality Assessment (SDD-FIQA). Our method generates quality pseudo-labels by calculating the Wasserstein Distance (WD) between the intra-class similarity distributions and inter-class similarity distributions. With these quality pseudo-labels, we are capable of training a regression network for quality prediction. Extensive experiments on benchmark datasets demonstrate that the proposed SDD-FIQA surpasses the state-of-the-arts by an impressive margin. Meanwhile, our method shows good generalization across different recognition systems.

Object detection typically assumes that training and test data are drawn from an identical distribution, which, however, does not always hold in practice. Such a distribution mismatch will lead to a significant performance drop. In this work, we aim to improve the cross-domain robustness of object detection. We tackle the domain shift on two levels: 1) the image-level shift, such as image style, illumination, etc, and 2) the instance-level shift, such as object appearance, size, etc. We build our approach based on the recent state-of-the-art Faster R-CNN model, and design two domain adaptation components, on image level and instance level, to reduce the domain discrepancy. The two domain adaptation components are based on H-divergence theory, and are implemented by learning a domain classifier in adversarial training manner. The domain classifiers on different levels are further reinforced with a consistency regularization to learn a domain-invariant region proposal network (RPN) in the Faster R-CNN model. We evaluate our newly proposed approach using multiple datasets including Cityscapes, KITTI, SIM10K, etc. The results demonstrate the effectiveness of our proposed approach for robust object detection in various domain shift scenarios.