与分析气相色谱法 - 质谱（GC -MS）数据相关的挑战很多。这些挑战中的许多挑战源于以下事实：电子电离可能使由于高度的分裂程度与分子离子信号的损失而难以恢复分子信息。使用GC-MS数据，通常在密切洗脱峰之间共享许多常见的片段离子，因此需要进行复杂的分析方法。其中一些方法是完全自动化的，但是对数据可以在分析过程中引入伪影的数据做出了一些假设。化学计量方法（例如多元曲线分辨率或平行因子分析）特别有吸引力，因为它们是灵活的，并且对数据的假设相对较少 - 理想情况下会导致伪像较少。这些方法确实需要专家用户干预来确定每个区域的最相关区域和适当数量的组件，即$ k $。需要选择自动化区域，以允许使用高级信号反卷积的色谱数据自动批处理处理。在这里，我们提出了一种新的方法，用于自动化，不靶心的感兴趣的选择区域，该方法是根据平方的比率和第二个单数值分解的比率来解释GC-MS数据中存在的多元信息，以选择感兴趣的区域。在色谱图上移动的窗口。假设第一个奇异值主要解释了信号，而第二个奇异值主要解释了噪声，则可以将这两个值之间的关系解释为Fisher比率的概率分布。通过研究该算法不再挑选已知包含信号的色谱区的浓度来测试算法的灵敏度。

Knowledge distillation (KD) has gained a lot of attention in the field of model compression for edge devices thanks to its effectiveness in compressing large powerful networks into smaller lower-capacity models. Online distillation, in which both the teacher and the student are learning collaboratively, has also gained much interest due to its ability to improve on the performance of the networks involved. The Kullback-Leibler (KL) divergence ensures the proper knowledge transfer between the teacher and student. However, most online KD techniques present some bottlenecks under the network capacity gap. By cooperatively and simultaneously training, the models the KL distance becomes incapable of properly minimizing the teacher's and student's distributions. Alongside accuracy, critical edge device applications are in need of well-calibrated compact networks. Confidence calibration provides a sensible way of getting trustworthy predictions. We propose BD-KD: Balancing of Divergences for online Knowledge Distillation. We show that adaptively balancing between the reverse and forward divergences shifts the focus of the training strategy to the compact student network without limiting the teacher network's learning process. We demonstrate that, by performing this balancing design at the level of the student distillation loss, we improve upon both performance accuracy and calibration of the compact student network. We conducted extensive experiments using a variety of network architectures and show improvements on multiple datasets including CIFAR-10, CIFAR-100, Tiny-ImageNet, and ImageNet. We illustrate the effectiveness of our approach through comprehensive comparisons and ablations with current state-of-the-art online and offline KD techniques.

Fine-tuning a Pre-trained Language Model (PLM) on a specific downstream task has been a well-known paradigm in Natural Language Processing. However, with the ever-growing size of PLMs, training the entire model on several downstream tasks becomes very expensive and resource-hungry. Recently, different Parameter Efficient Tuning (PET) techniques are proposed to improve the efficiency of fine-tuning PLMs. One popular category of PET methods is the low-rank adaptation methods which insert learnable truncated SVD modules into the original model either sequentially or in parallel. However, low-rank decomposition suffers from limited representation power. In this work, we address this problem using the Kronecker product instead of the low-rank representation. We introduce KronA, a Kronecker product-based adapter module for efficient fine-tuning of Transformer-based PLMs. We apply the proposed methods for fine-tuning T5 on the GLUE benchmark to show that incorporating the Kronecker-based modules can outperform state-of-the-art PET methods.

Developments in autonomous vehicles (AVs) are rapidly advancing and will in the next 20 years become a central part to our society. However, especially in the early stages of deployment, there is expected to be incidents involving AVs. In the event of AV incidents, decisions will need to be made that require ethical decisions, e.g., deciding between colliding into a group of pedestrians or a rigid barrier. For an AV to undertake such ethical decision making and path planning, simulation models of the situation will be required that are used in real-time on-board the AV. These models will enable path planning and ethical decision making to be undertaken based on predetermined collision injury severity levels. In this research, models are developed for the path planning and ethical decision making that predetermine knowledge regarding the possible collision injury severities, i.e., peak deformation of the AV colliding into the rigid barrier or the impact velocity of the AV colliding into a pedestrian. Based on such knowledge and using fuzzy logic, a novel nonlinear weighted utility cost function for the collision injury severity levels is developed. This allows the model-based predicted collision outcomes arising from AV peak deformation and AV-pedestrian impact velocity to be examined separately via weighted utility cost functions with a common structure. The general form of the weighted utility cost function exploits a fuzzy sets approach, thus allowing common utility costs from the two separate utility cost functions to be meaningfully compared. A decision-making algorithm, which makes use of a utilitarian ethical approach, ensures that the AV will always steer onto the path which represents the lowest injury severity level, hence utility cost to society.

Electronic Health Records (EHRs) hold detailed longitudinal information about each patient's health status and general clinical history, a large portion of which is stored within the unstructured text. Temporal modelling of this medical history, which considers the sequence of events, can be used to forecast and simulate future events, estimate risk, suggest alternative diagnoses or forecast complications. While most prediction approaches use mainly structured data or a subset of single-domain forecasts and outcomes, we processed the entire free-text portion of EHRs for longitudinal modelling. We present Foresight, a novel GPT3-based pipeline that uses NER+L tools (i.e. MedCAT) to convert document text into structured, coded concepts, followed by providing probabilistic forecasts for future medical events such as disorders, medications, symptoms and interventions. Since large portions of EHR data are in text form, such an approach benefits from a granular and detailed view of a patient while introducing modest additional noise. On tests in two large UK hospitals (King's College Hospital, South London and Maudsley) and the US MIMIC-III dataset precision@10 of 0.80, 0.81 and 0.91 was achieved for forecasting the next biomedical concept. Foresight was also validated on 34 synthetic patient timelines by 5 clinicians and achieved relevancy of 97% for the top forecasted candidate disorder. Foresight can be easily trained and deployed locally as it only requires free-text data (as a minimum). As a generative model, it can simulate follow-on disorders, medications and interventions for as many steps as required. Foresight is a general-purpose model for biomedical concept modelling that can be used for real-world risk estimation, virtual trials and clinical research to study the progression of diseases, simulate interventions and counterfactuals, and for educational purposes.

As Artificial and Robotic Systems are increasingly deployed and relied upon for real-world applications, it is important that they exhibit the ability to continually learn and adapt in dynamically-changing environments, becoming Lifelong Learning Machines. Continual/lifelong learning (LL) involves minimizing catastrophic forgetting of old tasks while maximizing a model's capability to learn new tasks. This paper addresses the challenging lifelong reinforcement learning (L2RL) setting. Pushing the state-of-the-art forward in L2RL and making L2RL useful for practical applications requires more than developing individual L2RL algorithms; it requires making progress at the systems-level, especially research into the non-trivial problem of how to integrate multiple L2RL algorithms into a common framework. In this paper, we introduce the Lifelong Reinforcement Learning Components Framework (L2RLCF), which standardizes L2RL systems and assimilates different continual learning components (each addressing different aspects of the lifelong learning problem) into a unified system. As an instantiation of L2RLCF, we develop a standard API allowing easy integration of novel lifelong learning components. We describe a case study that demonstrates how multiple independently-developed LL components can be integrated into a single realized system. We also introduce an evaluation environment in order to measure the effect of combining various system components. Our evaluation environment employs different LL scenarios (sequences of tasks) consisting of Starcraft-2 minigames and allows for the fair, comprehensive, and quantitative comparison of different combinations of components within a challenging common evaluation environment.

Recent advances in pixel-level tasks (e.g., segmentation) illustrate the benefit of long-range interactions between aggregated region-based representations that can enhance local features. However, such pixel-to-region associations and the resulting representation, which often take the form of attention, cannot model the underlying semantic structure of the scene (e.g., individual objects and, by extension, their interactions). In this work, we take a step toward addressing this limitation. Specifically, we propose an architecture where we learn to project image features into latent region representations and perform global reasoning across them, using a transformer, to produce contextualized and scene-consistent representations that are then fused with original pixel-level features. Our design enables the latent regions to represent semantically meaningful concepts, by ensuring that activated regions are spatially disjoint and unions of such regions correspond to connected object segments. The resulting semantic global reasoning (SGR) is end-to-end trainable and can be combined with any semantic segmentation framework and backbone. Combining SGR with DeepLabV3 results in a semantic segmentation performance that is competitive to the state-of-the-art, while resulting in more semantically interpretable and diverse region representations, which we show can effectively transfer to detection and instance segmentation. Further, we propose a new metric that allows us to measure the semantics of representations at both the object class and instance level.

Artificial intelligence methods including deep neural networks (DNN) can provide rapid molecular classification of tumors from routine histology with accuracy that matches or exceeds human pathologists. Discerning how neural networks make their predictions remains a significant challenge, but explainability tools help provide insights into what models have learned when corresponding histologic features are poorly defined. Here, we present a method for improving explainability of DNN models using synthetic histology generated by a conditional generative adversarial network (cGAN). We show that cGANs generate high-quality synthetic histology images that can be leveraged for explaining DNN models trained to classify molecularly-subtyped tumors, exposing histologic features associated with molecular state. Fine-tuning synthetic histology through class and layer blending illustrates nuanced morphologic differences between tumor subtypes. Finally, we demonstrate the use of synthetic histology for augmenting pathologist-in-training education, showing that these intuitive visualizations can reinforce and improve understanding of histologic manifestations of tumor biology.

In recent years, deep learning has infiltrated every field it has touched, reducing the need for specialist knowledge and automating the process of knowledge discovery from data. This review argues that astronomy is no different, and that we are currently in the midst of a deep learning revolution that is transforming the way we do astronomy. We trace the history of astronomical connectionism from the early days of multilayer perceptrons, through the second wave of convolutional and recurrent neural networks, to the current third wave of self-supervised and unsupervised deep learning. We then predict that we will soon enter a fourth wave of astronomical connectionism, in which finetuned versions of an all-encompassing 'foundation' model will replace expertly crafted deep learning models. We argue that such a model can only be brought about through a symbiotic relationship between astronomy and connectionism, whereby astronomy provides high quality multimodal data to train the foundation model, and in turn the foundation model is used to advance astronomical research.

Out-of-distribution generalization (OODG) is a longstanding challenge for neural networks. This challenge is quite apparent in tasks with well-defined variables and rules, where explicit use of the rules could solve problems independently of the particular values of the variables, but networks tend to be tied to the range of values sampled in their training data. Large transformer-based language models have pushed the boundaries on how well neural networks can solve previously unseen problems, but their complexity and lack of clarity about the relevant content in their training data obfuscates how they achieve such robustness. As a step toward understanding how transformer-based systems generalize, we explore the question of OODG in small scale transformers trained with examples from a known distribution. Using a reasoning task based on the puzzle Sudoku, we show that OODG can occur on a complex problem if the training set includes examples sampled from the whole distribution of simpler component tasks. Successful generalization depends on carefully managing positional alignment when absolute position encoding is used, but we find that suppressing sensitivity to absolute positions overcomes this limitation. Taken together our results represent a small step toward understanding and promoting systematic generalization in transformers.