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Equipping predicted segmentation with calibrated uncertainty is essential for safety-critical applications. In this work, we focus on capturing the data-inherent uncertainty (aka aleatoric uncertainty) in segmentation, typically when ambiguities exist in input images. Due to the high-dimensional output space and potential multiple modes in segmenting ambiguous images, it remains challenging to predict well-calibrated uncertainty for segmentation. To tackle this problem, we propose a novel mixture of stochastic experts (MoSE) model, where each expert network estimates a distinct mode of the aleatoric uncertainty and a gating network predicts the probabilities of an input image being segmented in those modes. This yields an efficient two-level uncertainty representation. To learn the model, we develop a Wasserstein-like loss that directly minimizes the distribution distance between the MoSE and ground truth annotations. The loss can easily integrate traditional segmentation quality measures and be efficiently optimized via constraint relaxation. We validate our method on the LIDC-IDRI dataset and a modified multimodal Cityscapes dataset. Results demonstrate that our method achieves the state-of-the-art or competitive performance on all metrics.

Automated medical image segmentation using deep neural networks typically requires substantial supervised training. However, these models fail to generalize well across different imaging modalities. This shortcoming, amplified by the limited availability of annotated data, has been hampering the deployment of such methods at a larger scale across modalities. To address these issues, we propose M-GenSeg, a new semi-supervised training strategy for accurate cross-modality tumor segmentation on unpaired bi-modal datasets. Based on image-level labels, a first unsupervised objective encourages the model to perform diseased to healthy translation by disentangling tumors from the background, which encompasses the segmentation task. Then, teaching the model to translate between image modalities enables the synthesis of target images from a source modality, thus leveraging the pixel-level annotations from the source modality to enforce generalization to the target modality images. We evaluated the performance on a brain tumor segmentation datasets composed of four different contrast sequences from the public BraTS 2020 challenge dataset. We report consistent improvement in Dice scores on both source and unannotated target modalities. On all twelve distinct domain adaptation experiments, the proposed model shows a clear improvement over state-of-the-art domain-adaptive baselines, with absolute Dice gains on the target modality reaching 0.15.

Lesion segmentation requires both speed and accuracy. In this paper, we propose a simple yet efficient network DSNet, which consists of a encoder based on Transformer and a convolutional neural network(CNN)-based distinct pyramid decoder containing three dual-stream attention (DSA) modules. Specifically, the DSA module fuses features from two adjacent levels through the false positive stream attention (FPSA) branch and the false negative stream attention (FNSA) branch to obtain features with diversified contextual information. We compare our method with various state-of-the-art (SOTA) lesion segmentation methods with several public datasets, including CVC-ClinicDB, Kvasir-SEG, and ISIC-2018 Task 1. The experimental results show that our method achieves SOTA performance in terms of mean Dice coefficient (mDice) and mean Intersection over Union (mIoU) with low model complexity and memory consumption.

Models based on machine learning can enable accurate and fast molecular property predictions, which is of interest in drug discovery and material design. Various supervised machine learning models have demonstrated promising performance, but the vast chemical space and the limited availability of property labels make supervised learning challenging. Recently, unsupervised transformer-based language models pretrained on a large unlabelled corpus have produced state-of-the-art results in many downstream natural language processing tasks. Inspired by this development, we present molecular embeddings obtained by training an efficient transformer encoder model, MoLFormer, which uses rotary positional embeddings. This model employs a linear attention mechanism, coupled with highly distributed training, on SMILES sequences of 1.1 billion unlabelled molecules from the PubChem and ZINC datasets. We show that the learned molecular representation outperforms existing baselines, including supervised and self-supervised graph neural networks and language models, on several downstream tasks from ten benchmark datasets. They perform competitively on two others. Further analyses, specifically through the lens of attention, demonstrate that MoLFormer trained on chemical SMILES indeed learns the spatial relationships between atoms within a molecule. These results provide encouraging evidence that large-scale molecular language models can capture sufficient chemical and structural information to predict various distinct molecular properties, including quantum-chemical properties.

A digital twin is defined as a virtual representation of a physical asset enabled through data and simulators for real-time prediction, optimization, monitoring, controlling, and improved decision-making. Unfortunately, the term remains vague and says little about its capability. Recently, the concept of capability level has been introduced to address this issue. Based on its capability, the concept states that a digital twin can be categorized on a scale from zero to five, referred to as standalone, descriptive, diagnostic, predictive, prescriptive, and autonomous, respectively. The current work introduces the concept in the context of the built environment. It demonstrates the concept by using a modern house as a use case. The house is equipped with an array of sensors that collect timeseries data regarding the internal state of the house. Together with physics-based and data-driven models, these data are used to develop digital twins at different capability levels demonstrated in virtual reality. The work, in addition to presenting a blueprint for developing digital twins, also provided future research directions to enhance the technology.

Generalization is an important attribute of machine learning models, particularly for those that are to be deployed in a medical context, where unreliable predictions can have real world consequences. While the failure of models to generalize across datasets is typically attributed to a mismatch in the data distributions, performance gaps are often a consequence of biases in the 'ground-truth' label annotations. This is particularly important in the context of medical image segmentation of pathological structures (e.g. lesions), where the annotation process is much more subjective, and affected by a number underlying factors, including the annotation protocol, rater education/experience, and clinical aims, among others. In this paper, we show that modeling annotation biases, rather than ignoring them, poses a promising way of accounting for differences in annotation style across datasets. To this end, we propose a generalized conditioning framework to (1) learn and account for different annotation styles across multiple datasets using a single model, (2) identify similar annotation styles across different datasets in order to permit their effective aggregation, and (3) fine-tune a fully trained model to a new annotation style with just a few samples. Next, we present an image-conditioning approach to model annotation styles that correlate with specific image features, potentially enabling detection biases to be more easily identified.

Body segmentation is an important step in many computer vision problems involving human images and one of the key components that affects the performance of all downstream tasks. Several prior works have approached this problem using a multi-task model that exploits correlations between different tasks to improve segmentation performance. Based on the success of such solutions, we present in this paper a novel multi-task model for human segmentation/parsing that involves three tasks, i.e., (i) keypoint-based skeleton estimation, (ii) dense pose prediction, and (iii) human-body segmentation. The main idea behind the proposed Segmentation--Pose--DensePose model (or SPD for short) is to learn a better segmentation model by sharing knowledge across different, yet related tasks. SPD is based on a shared deep neural network backbone that branches off into three task-specific model heads and is learned using a multi-task optimization objective. The performance of the model is analysed through rigorous experiments on the LIP and ATR datasets and in comparison to a recent (state-of-the-art) multi-task body-segmentation model. Comprehensive ablation studies are also presented. Our experimental results show that the proposed multi-task (segmentation) model is highly competitive and that the introduction of additional tasks contributes towards a higher overall segmentation performance.

The time and effort involved in hand-designing deep neural networks is immense. This has prompted the development of Neural Architecture Search (NAS) techniques to automate this design. However, NAS algorithms tend to be slow and expensive; they need to train vast numbers of candidate networks to inform the search process. This could be alleviated if we could partially predict a network's trained accuracy from its initial state. In this work, we examine the overlap of activations between datapoints in untrained networks and motivate how this can give a measure which is usefully indicative of a network's trained performance. We incorporate this measure into a simple algorithm that allows us to search for powerful networks without any training in a matter of seconds on a single GPU, and verify its effectiveness on NAS-Bench-101, NAS-Bench-201, NATS-Bench, and Network Design Spaces. Our approach can be readily combined with more expensive search methods; we examine a simple adaptation of regularised evolutionary search. Code for reproducing our experiments is available at //github.com/BayesWatch/nas-without-training.

Behaviors of the synthetic characters in current military simulations are limited since they are generally generated by rule-based and reactive computational models with minimal intelligence. Such computational models cannot adapt to reflect the experience of the characters, resulting in brittle intelligence for even the most effective behavior models devised via costly and labor-intensive processes. Observation-based behavior model adaptation that leverages machine learning and the experience of synthetic entities in combination with appropriate prior knowledge can address the issues in the existing computational behavior models to create a better training experience in military training simulations. In this paper, we introduce a framework that aims to create autonomous synthetic characters that can perform coherent sequences of believable behavior while being aware of human trainees and their needs within a training simulation. This framework brings together three mutually complementary components. The first component is a Unity-based simulation environment - Rapid Integration and Development Environment (RIDE) - supporting One World Terrain (OWT) models and capable of running and supporting machine learning experiments. The second is Shiva, a novel multi-agent reinforcement and imitation learning framework that can interface with a variety of simulation environments, and that can additionally utilize a variety of learning algorithms. The final component is the Sigma Cognitive Architecture that will augment the behavior models with symbolic and probabilistic reasoning capabilities. We have successfully created proof-of-concept behavior models leveraging this framework on realistic terrain as an essential step towards bringing machine learning into military simulations.

Image segmentation is still an open problem especially when intensities of the interested objects are overlapped due to the presence of intensity inhomogeneity (also known as bias field). To segment images with intensity inhomogeneities, a bias correction embedded level set model is proposed where Inhomogeneities are Estimated by Orthogonal Primary Functions (IEOPF). In the proposed model, the smoothly varying bias is estimated by a linear combination of a given set of orthogonal primary functions. An inhomogeneous intensity clustering energy is then defined and membership functions of the clusters described by the level set function are introduced to rewrite the energy as a data term of the proposed model. Similar to popular level set methods, a regularization term and an arc length term are also included to regularize and smooth the level set function, respectively. The proposed model is then extended to multichannel and multiphase patterns to segment colourful images and images with multiple objects, respectively. It has been extensively tested on both synthetic and real images that are widely used in the literature and public BrainWeb and IBSR datasets. Experimental results and comparison with state-of-the-art methods demonstrate that advantages of the proposed model in terms of bias correction and segmentation accuracy.