Extracting meaningful features from complex, high-dimensional datasets across scientific domains remains challenging. Current methods often struggle with scalability, limiting their applicability to large datasets, or make restrictive assumptions about feature-property relationships, hindering their ability to capture complex interactions. BoUTS's general and scalable feature selection algorithm surpasses these limitations to identify both universal features relevant to all datasets and task-specific features predictive for specific subsets. Evaluated on seven diverse chemical regression datasets, BoUTS achieves state-of-the-art feature sparsity while maintaining prediction accuracy comparable to specialized methods. Notably, BoUTS's universal features enable domain-specific knowledge transfer between datasets, and suggest deep connections in seemingly-disparate chemical datasets. We expect these results to have important repercussions in manually-guided inverse problems. Beyond its current application, BoUTS holds immense potential for elucidating data-poor systems by leveraging information from similar data-rich systems. BoUTS represents a significant leap in cross-domain feature selection, potentially leading to advancements in various scientific fields.
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Corruption is notoriously widespread in data collection. Despite extensive research, the existing literature on corruption predominantly focuses on specific settings and learning scenarios, lacking a unified view. There is still a limited understanding of how to effectively model and mitigate corruption in machine learning problems. In this work, we develop a general theory of corruption from an information-theoretic perspective - with Markov kernels as a foundational mathematical tool. We generalize the definition of corruption beyond the concept of distributional shift: corruption includes all modifications of a learning problem, including changes in model class and loss function. We will focus here on changes in probability distributions. First, we construct a provably exhaustive framework for pairwise Markovian corruptions. The framework not only allows us to study corruption types based on their input space, but also serves to unify prior works on specific corruption models and establish a consistent nomenclature. Second, we systematically analyze the consequences of corruption on learning tasks by comparing Bayes risks in the clean and corrupted scenarios. This examination sheds light on complexities arising from joint and dependent corruptions on both labels and attributes. Notably, while label corruptions affect only the loss function, more intricate cases involving attribute corruptions extend the influence beyond the loss to affect the hypothesis class. Third, building upon these results, we investigate mitigations for various corruption types. We expand the existing loss-correction results for label corruption, and identify the necessity to generalize the classical corruption-corrected learning framework to a new paradigm with weaker requirements. Within the latter setting, we provide a negative result for loss correction in the attribute and the joint corruption case.
Reconfigurable holographic surfaces (RHSs) constitute a promising technique of supporting energy-efficient communications. In this paper, we formulate the energy efficiency maximization problem of the switch-controlled RHS-aided beamforming architecture by alternately optimizing the holographic beamformer at the RHS, the digital beamformer, the total transmit power and the power sharing ratio of each user. Specifically, to deal with this challenging non-convex optimization problem, we decouple it into three sub-problems. Firstly, the coefficients of RHS elements responsible for the holographic beamformer are optimized to maximize the sum of the eigen-channel gains of all users by our proposed low-complexity eigen-decomposition (ED) method. Then, the digital beamformer is designed by the singular value decomposition (SVD) method to support multi-user information transfer. Finally, the total transmit power and the power sharing ratio are alternately optimized, while considering the effect of transceiver hardware impairments (HWI). We theoretically derive the spectral efficiency and energy efficiency performance upper bound for the RHS-based beamforming architectures in the presence of HWIs. Our simulation results show that the switch-controlled RHS-aided beamforming architecture achieves higher energy efficiency than the conventional fully digital beamformer and the hybrid beamformer based on phase shift arrays (PSA). Moreover, considering the effect of HWI in the beamforming design can bring about further energy efficiency enhancements.
Variational quantum computing offers a flexible computational paradigm with applications in diverse areas. However, a key obstacle to realizing their potential is the Barren Plateau (BP) phenomenon. When a model exhibits a BP, its parameter optimization landscape becomes exponentially flat and featureless as the problem size increases. Importantly, all the moving pieces of an algorithm -- choices of ansatz, initial state, observable, loss function and hardware noise -- can lead to BPs when ill-suited. Due to the significant impact of BPs on trainability, researchers have dedicated considerable effort to develop theoretical and heuristic methods to understand and mitigate their effects. As a result, the study of BPs has become a thriving area of research, influencing and cross-fertilizing other fields such as quantum optimal control, tensor networks, and learning theory. This article provides a comprehensive review of the current understanding of the BP phenomenon.
The success of AI models relies on the availability of large, diverse, and high-quality datasets, which can be challenging to obtain due to data scarcity, privacy concerns, and high costs. Synthetic data has emerged as a promising solution by generating artificial data that mimics real-world patterns. This paper provides an overview of synthetic data research, discussing its applications, challenges, and future directions. We present empirical evidence from prior art to demonstrate its effectiveness and highlight the importance of ensuring its factuality, fidelity, and unbiasedness. We emphasize the need for responsible use of synthetic data to build more powerful, inclusive, and trustworthy language models.
Mathematical reasoning is a fundamental aspect of human intelligence and is applicable in various fields, including science, engineering, finance, and everyday life. The development of artificial intelligence (AI) systems capable of solving math problems and proving theorems has garnered significant interest in the fields of machine learning and natural language processing. For example, mathematics serves as a testbed for aspects of reasoning that are challenging for powerful deep learning models, driving new algorithmic and modeling advances. On the other hand, recent advances in large-scale neural language models have opened up new benchmarks and opportunities to use deep learning for mathematical reasoning. In this survey paper, we review the key tasks, datasets, and methods at the intersection of mathematical reasoning and deep learning over the past decade. We also evaluate existing benchmarks and methods, and discuss future research directions in this domain.
Graph neural networks (GNNs) have been demonstrated to be a powerful algorithmic model in broad application fields for their effectiveness in learning over graphs. To scale GNN training up for large-scale and ever-growing graphs, the most promising solution is distributed training which distributes the workload of training across multiple computing nodes. However, the workflows, computational patterns, communication patterns, and optimization techniques of distributed GNN training remain preliminarily understood. In this paper, we provide a comprehensive survey of distributed GNN training by investigating various optimization techniques used in distributed GNN training. First, distributed GNN training is classified into several categories according to their workflows. In addition, their computational patterns and communication patterns, as well as the optimization techniques proposed by recent work are introduced. Second, the software frameworks and hardware platforms of distributed GNN training are also introduced for a deeper understanding. Third, distributed GNN training is compared with distributed training of deep neural networks, emphasizing the uniqueness of distributed GNN training. Finally, interesting issues and opportunities in this field are discussed.
Learning on big data brings success for artificial intelligence (AI), but the annotation and training costs are expensive. In future, learning on small data is one of the ultimate purposes of AI, which requires machines to recognize objectives and scenarios relying on small data as humans. A series of machine learning models is going on this way such as active learning, few-shot learning, deep clustering. However, there are few theoretical guarantees for their generalization performance. Moreover, most of their settings are passive, that is, the label distribution is explicitly controlled by one specified sampling scenario. This survey follows the agnostic active sampling under a PAC (Probably Approximately Correct) framework to analyze the generalization error and label complexity of learning on small data using a supervised and unsupervised fashion. With these theoretical analyses, we categorize the small data learning models from two geometric perspectives: the Euclidean and non-Euclidean (hyperbolic) mean representation, where their optimization solutions are also presented and discussed. Later, some potential learning scenarios that may benefit from small data learning are then summarized, and their potential learning scenarios are also analyzed. Finally, some challenging applications such as computer vision, natural language processing that may benefit from learning on small data are also surveyed.
Most recent semantic segmentation methods adopt a fully-convolutional network (FCN) with an encoder-decoder architecture. The encoder progressively reduces the spatial resolution and learns more abstract/semantic visual concepts with larger receptive fields. Since context modeling is critical for segmentation, the latest efforts have been focused on increasing the receptive field, through either dilated/atrous convolutions or inserting attention modules. However, the encoder-decoder based FCN architecture remains unchanged. In this paper, we aim to provide an alternative perspective by treating semantic segmentation as a sequence-to-sequence prediction task. Specifically, we deploy a pure transformer (ie, without convolution and resolution reduction) to encode an image as a sequence of patches. With the global context modeled in every layer of the transformer, this encoder can be combined with a simple decoder to provide a powerful segmentation model, termed SEgmentation TRansformer (SETR). Extensive experiments show that SETR achieves new state of the art on ADE20K (50.28% mIoU), Pascal Context (55.83% mIoU) and competitive results on Cityscapes. Particularly, we achieve the first (44.42% mIoU) position in the highly competitive ADE20K test server leaderboard.
Deep neural networks (DNNs) are successful in many computer vision tasks. However, the most accurate DNNs require millions of parameters and operations, making them energy, computation and memory intensive. This impedes the deployment of large DNNs in low-power devices with limited compute resources. Recent research improves DNN models by reducing the memory requirement, energy consumption, and number of operations without significantly decreasing the accuracy. This paper surveys the progress of low-power deep learning and computer vision, specifically in regards to inference, and discusses the methods for compacting and accelerating DNN models. The techniques can be divided into four major categories: (1) parameter quantization and pruning, (2) compressed convolutional filters and matrix factorization, (3) network architecture search, and (4) knowledge distillation. We analyze the accuracy, advantages, disadvantages, and potential solutions to the problems with the techniques in each category. We also discuss new evaluation metrics as a guideline for future research.
Deep convolutional neural networks (CNNs) have recently achieved great success in many visual recognition tasks. However, existing deep neural network models are computationally expensive and memory intensive, hindering their deployment in devices with low memory resources or in applications with strict latency requirements. Therefore, a natural thought is to perform model compression and acceleration in deep networks without significantly decreasing the model performance. During the past few years, tremendous progress has been made in this area. In this paper, we survey the recent advanced techniques for compacting and accelerating CNNs model developed. These techniques are roughly categorized into four schemes: parameter pruning and sharing, low-rank factorization, transferred/compact convolutional filters, and knowledge distillation. Methods of parameter pruning and sharing will be described at the beginning, after that the other techniques will be introduced. For each scheme, we provide insightful analysis regarding the performance, related applications, advantages, and drawbacks etc. Then we will go through a few very recent additional successful methods, for example, dynamic capacity networks and stochastic depths networks. After that, we survey the evaluation matrix, the main datasets used for evaluating the model performance and recent benchmarking efforts. Finally, we conclude this paper, discuss remaining challenges and possible directions on this topic.
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