可靠的概括是安全ML和AI的核心。但是，了解神经网络何时以及如何推广仍然是该领域最重要的未解决问题之一。在这项工作中，我们进行了一项广泛的实证研究（2200个模型，16个任务），以研究计算理论中的见解是否可以预测实践中神经网络概括的局限性。我们证明，根据Chomsky层次结构进行分组任务使我们能够预测某些架构是否能够推广到分布外输入。这包括负面结果，即使大量数据和训练时间也不会导致任何非平凡的概括，尽管模型具有足够的能力完美地适合培训数据。我们的结果表明，对于我们的任务子集，RNN和变形金刚无法概括非规范的任务，LSTMS可以解决常规和反语言任务，并且只有通过结构化内存（例如堆栈或存储器磁带）可以增强的网络可以成功地概括了无上下文和上下文敏感的任务。

We present Muse, a text-to-image Transformer model that achieves state-of-the-art image generation performance while being significantly more efficient than diffusion or autoregressive models. Muse is trained on a masked modeling task in discrete token space: given the text embedding extracted from a pre-trained large language model (LLM), Muse is trained to predict randomly masked image tokens. Compared to pixel-space diffusion models, such as Imagen and DALL-E 2, Muse is significantly more efficient due to the use of discrete tokens and requiring fewer sampling iterations; compared to autoregressive models, such as Parti, Muse is more efficient due to the use of parallel decoding. The use of a pre-trained LLM enables fine-grained language understanding, translating to high-fidelity image generation and the understanding of visual concepts such as objects, their spatial relationships, pose, cardinality etc. Our 900M parameter model achieves a new SOTA on CC3M, with an FID score of 6.06. The Muse 3B parameter model achieves an FID of 7.88 on zero-shot COCO evaluation, along with a CLIP score of 0.32. Muse also directly enables a number of image editing applications without the need to fine-tune or invert the model: inpainting, outpainting, and mask-free editing. More results are available at https://muse-model.github.io

Reinforcement Learning is a powerful tool to model decision-making processes. However, it relies on an exploration-exploitation trade-off that remains an open challenge for many tasks. In this work, we study neighboring state-based, model-free exploration led by the intuition that, for an early-stage agent, considering actions derived from a bounded region of nearby states may lead to better actions when exploring. We propose two algorithms that choose exploratory actions based on a survey of nearby states, and find that one of our methods, ${\rho}$-explore, consistently outperforms the Double DQN baseline in an discrete environment by 49\% in terms of Eval Reward Return.

The number of international benchmarking competitions is steadily increasing in various fields of machine learning (ML) research and practice. So far, however, little is known about the common practice as well as bottlenecks faced by the community in tackling the research questions posed. To shed light on the status quo of algorithm development in the specific field of biomedical imaging analysis, we designed an international survey that was issued to all participants of challenges conducted in conjunction with the IEEE ISBI 2021 and MICCAI 2021 conferences (80 competitions in total). The survey covered participants' expertise and working environments, their chosen strategies, as well as algorithm characteristics. A median of 72% challenge participants took part in the survey. According to our results, knowledge exchange was the primary incentive (70%) for participation, while the reception of prize money played only a minor role (16%). While a median of 80 working hours was spent on method development, a large portion of participants stated that they did not have enough time for method development (32%). 25% perceived the infrastructure to be a bottleneck. Overall, 94% of all solutions were deep learning-based. Of these, 84% were based on standard architectures. 43% of the respondents reported that the data samples (e.g., images) were too large to be processed at once. This was most commonly addressed by patch-based training (69%), downsampling (37%), and solving 3D analysis tasks as a series of 2D tasks. K-fold cross-validation on the training set was performed by only 37% of the participants and only 50% of the participants performed ensembling based on multiple identical models (61%) or heterogeneous models (39%). 48% of the respondents applied postprocessing steps.

Purpose: The aim of this study was to demonstrate the utility of unsupervised domain adaptation (UDA) in automated knee osteoarthritis (OA) phenotype classification using a small dataset (n=50). Materials and Methods: For this retrospective study, we collected 3,166 three-dimensional (3D) double-echo steady-state magnetic resonance (MR) images from the Osteoarthritis Initiative dataset and 50 3D turbo/fast spin-echo MR images from our institute (in 2020 and 2021) as the source and target datasets, respectively. For each patient, the degree of knee OA was initially graded according to the MRI Osteoarthritis Knee Score (MOAKS) before being converted to binary OA phenotype labels. The proposed UDA pipeline included (a) pre-processing, which involved automatic segmentation and region-of-interest cropping; (b) source classifier training, which involved pre-training phenotype classifiers on the source dataset; (c) target encoder adaptation, which involved unsupervised adaption of the source encoder to the target encoder and (d) target classifier validation, which involved statistical analysis of the target classification performance evaluated by the area under the receiver operating characteristic curve (AUROC), sensitivity, specificity and accuracy. Additionally, a classifier was trained without UDA for comparison. Results: The target classifier trained with UDA achieved improved AUROC, sensitivity, specificity and accuracy for both knee OA phenotypes compared with the classifier trained without UDA. Conclusion: The proposed UDA approach improves the performance of automated knee OA phenotype classification for small target datasets by utilising a large, high-quality source dataset for training. The results successfully demonstrated the advantages of the UDA approach in classification on small datasets.

Accurate polyp segmentation is of great importance for colorectal cancer diagnosis and treatment. However, due to the high cost of producing accurate mask annotations, existing polyp segmentation methods suffer from severe data shortage and impaired model generalization. Reversely, coarse polyp bounding box annotations are more accessible. Thus, in this paper, we propose a boosted BoxPolyp model to make full use of both accurate mask and extra coarse box annotations. In practice, box annotations are applied to alleviate the over-fitting issue of previous polyp segmentation models, which generate fine-grained polyp area through the iterative boosted segmentation model. To achieve this goal, a fusion filter sampling (FFS) module is firstly proposed to generate pixel-wise pseudo labels from box annotations with less noise, leading to significant performance improvements. Besides, considering the appearance consistency of the same polyp, an image consistency (IC) loss is designed. Such IC loss explicitly narrows the distance between features extracted by two different networks, which improves the robustness of the model. Note that our BoxPolyp is a plug-and-play model, which can be merged into any appealing backbone. Quantitative and qualitative experimental results on five challenging benchmarks confirm that our proposed model outperforms previous state-of-the-art methods by a large margin.

In this work, we identify elements of effective machine learning datasets in astronomy and present suggestions for their design and creation. Machine learning has become an increasingly important tool for analyzing and understanding the large-scale flood of data in astronomy. To take advantage of these tools, datasets are required for training and testing. However, building machine learning datasets for astronomy can be challenging. Astronomical data is collected from instruments built to explore science questions in a traditional fashion rather than to conduct machine learning. Thus, it is often the case that raw data, or even downstream processed data is not in a form amenable to machine learning. We explore the construction of machine learning datasets and we ask: what elements define effective machine learning datasets? We define effective machine learning datasets in astronomy to be formed with well-defined data points, structure, and metadata. We discuss why these elements are important for astronomical applications and ways to put them in practice. We posit that these qualities not only make the data suitable for machine learning, they also help to foster usable, reusable, and replicable science practices.

Artificial Intelligence (AI) is having a tremendous impact across most areas of science. Applications of AI in healthcare have the potential to improve our ability to detect, diagnose, prognose, and intervene on human disease. For AI models to be used clinically, they need to be made safe, reproducible and robust, and the underlying software framework must be aware of the particularities (e.g. geometry, physiology, physics) of medical data being processed. This work introduces MONAI, a freely available, community-supported, and consortium-led PyTorch-based framework for deep learning in healthcare. MONAI extends PyTorch to support medical data, with a particular focus on imaging, and provide purpose-specific AI model architectures, transformations and utilities that streamline the development and deployment of medical AI models. MONAI follows best practices for software-development, providing an easy-to-use, robust, well-documented, and well-tested software framework. MONAI preserves the simple, additive, and compositional approach of its underlying PyTorch libraries. MONAI is being used by and receiving contributions from research, clinical and industrial teams from around the world, who are pursuing applications spanning nearly every aspect of healthcare.

Federated learning (FL) enables the building of robust and generalizable AI models by leveraging diverse datasets from multiple collaborators without centralizing the data. We created NVIDIA FLARE as an open-source software development kit (SDK) to make it easier for data scientists to use FL in their research and real-world applications. The SDK includes solutions for state-of-the-art FL algorithms and federated machine learning approaches, which facilitate building workflows for distributed learning across enterprises and enable platform developers to create a secure, privacy-preserving offering for multiparty collaboration utilizing homomorphic encryption or differential privacy. The SDK is a lightweight, flexible, and scalable Python package, and allows researchers to bring their data science workflows implemented in any training libraries (PyTorch, TensorFlow, XGBoost, or even NumPy) and apply them in real-world FL settings. This paper introduces the key design principles of FLARE and illustrates some use cases (e.g., COVID analysis) with customizable FL workflows that implement different privacy-preserving algorithms. Code is available at https://github.com/NVIDIA/NVFlare.

Finetuning language models on a collection of datasets phrased as instructions has been shown to improve model performance and generalization to unseen tasks. In this paper we explore instruction finetuning with a particular focus on (1) scaling the number of tasks, (2) scaling the model size, and (3) finetuning on chain-of-thought data. We find that instruction finetuning with the above aspects dramatically improves performance on a variety of model classes (PaLM, T5, U-PaLM), prompting setups (zero-shot, few-shot, CoT), and evaluation benchmarks (MMLU, BBH, TyDiQA, MGSM, open-ended generation). For instance, Flan-PaLM 540B instruction-finetuned on 1.8K tasks outperforms PALM 540B by a large margin (+9.4% on average). Flan-PaLM 540B achieves state-of-the-art performance on several benchmarks, such as 75.2% on five-shot MMLU. We also publicly release Flan-T5 checkpoints, which achieve strong few-shot performance even compared to much larger models, such as PaLM 62B. Overall, instruction finetuning is a general method for improving the performance and usability of pretrained language models.