We present mlr3mbo, a comprehensive and modular toolbox for Bayesian optimization in R. mlr3mbo supports single- and multi-objective optimization, multi-point proposals, batch and asynchronous parallelization, input and output transformations, and robust error handling. While it can be used for many standard Bayesian optimization variants in applied settings, researchers can also construct custom BO algorithms from its flexible building blocks. In addition to an introduction to the software, its design principles, and its building blocks, the paper presents two extensive empirical evaluations of the software on the surrogate-based benchmark suite YAHPO Gym. To identify robust default configurations for both numeric and mixed-hierarchical optimization regimes, and to gain further insights into the respective impacts of individual settings, we run a coordinate descent search over the mlr3mbo configuration space and analyze its results. Furthermore, we demonstrate that mlr3mbo achieves state-of-the-art performance by benchmarking it against a wide range of optimizers, including HEBO, SMAC3, Ax, and Optuna.

Vision Transformer has shown great visual representation power in substantial vision tasks such as recognition and detection, and thus been attracting fast-growing efforts on manually designing more effective architectures. In this paper, we propose to use neural architecture search to automate this process, by searching not only the architecture but also the search space. The central idea is to gradually evolve different search dimensions guided by their E-T Error computed using a weight-sharing supernet. Moreover, we provide design guidelines of general vision transformers with extensive analysis according to the space searching process, which could promote the understanding of vision transformer. Remarkably, the searched models, named S3 (short for Searching the Search Space), from the searched space achieve superior performance to recently proposed models, such as Swin, DeiT and ViT, when evaluated on ImageNet. The effectiveness of S3 is also illustrated on object detection, semantic segmentation and visual question answering, demonstrating its generality to downstream vision and vision-language tasks. Code and models will be available at https://github.com/microsoft/Cream.

Machine learning provides a valuable tool for analyzing high-dimensional functional neuroimaging data, and is proving effective in predicting various neurological conditions, psychiatric disorders, and cognitive patterns. In functional magnetic resonance imaging (MRI) research, interactions between brain regions are commonly modeled using graph-based representations. The potency of graph machine learning methods has been established across myriad domains, marking a transformative step in data interpretation and predictive modeling. Yet, despite their promise, the transposition of these techniques to the neuroimaging domain has been challenging due to the expansive number of potential preprocessing pipelines and the large parameter search space for graph-based dataset construction. In this paper, we introduce NeuroGraph, a collection of graph-based neuroimaging datasets, and demonstrated its utility for predicting multiple categories of behavioral and cognitive traits.

Many machine learning applications involve jointly predicting multiple mutually dependent output variables. Learning to search is a family of methods where the complex decision problem is cast into a sequence of decisions via a search space. Although these methods have shown promise both in theory and in practice, implementing them has been burdensomely awkward. In this paper, we show the search space can be defined by an arbitrary imperative program, turning learning to search into a credit assignment compiler. Altogether with the algorithmic improvements for the compiler, we radically reduce the complexity of programming and the running time. We demonstrate the feasibility of our approach on multiple joint prediction tasks. In all cases, we obtain accuracies as high as alternative approaches, at drastically reduced execution and programming time.

The design of neural network architectures is an important component for achieving state-of-the-art performance with machine learning systems across a broad array of tasks. Much work has endeavored to design and build architectures automatically through clever construction of a search space paired with simple learning algorithms. Recent progress has demonstrated that such meta-learning methods may exceed scalable human-invented architectures on image classification tasks. An open question is the degree to which such methods may generalize to new domains. In this work we explore the construction of meta-learning techniques for dense image prediction focused on the tasks of scene parsing, person-part segmentation, and semantic image segmentation. Constructing viable search spaces in this domain is challenging because of the multi-scale representation of visual information and the necessity to operate on high resolution imagery. Based on a survey of techniques in dense image prediction, we construct a recursive search space and demonstrate that even with efficient random search, we can identify architectures that outperform human-invented architectures and achieve state-of-the-art performance on three dense prediction tasks including 82.7% on Cityscapes (street scene parsing), 71.3% on PASCAL-Person-Part (person-part segmentation), and 87.9% on PASCAL VOC 2012 (semantic image segmentation). Additionally, the resulting architecture is more computationally efficient, requiring half the parameters and half the computational cost as previous state of the art systems.

Common modifications include:(i)tuning attack parameters (e.g., number ofsteps),(ii)replacing network components to simplify the attack (e.g., removing randomization or non-differentiable components), and(iii) replacing the loss function optimized by the attack.

Wepropose MCUNet, aframeworkthat jointly designs the efficient neural architecture (TinyNAS) and the lightweight inference engine (TinyEngine), enabling ImageNet-scale inference onmicrocontrollers.

We thank all the reviewers for their constructive comments. We will provide details in the final draft. MCUNet shows consistent improvement across different devices (F746, H743) and tasks (classification, detection). R1: Whether the overall network topology brings major improvement. R2: Why the auto-tuning in TVM fails to work on MCUs.