罕见事件计算研究中的一个中心对象是委员会函数。尽管计算成本高昂,但委员会功能编码涉及罕见事件的过程的完整机械信息,包括反应率和过渡状态合奏。在过渡路径理论(TPT)的框架下,最近的工作[1]提出了一种算法,其中反馈回路融合了一个神经网络,该神经网络将委员会功能建模为重要性采样,主要是伞形采样,该摘要收集了自适应训练所需的数据。在这项工作中,我们显示需要进行其他修改以提高算法的准确性。第一个修改增加了监督学习的要素,这使神经网络通过拟合从短分子动力学轨迹获得的委员会值的样本均值估计来改善其预测。第二个修改用有限的温度字符串(FTS)方法代替了基于委员会的伞采样,该方法可以在过渡途径的区域中进行均匀抽样。我们测试了具有非凸电势能的低维系统的修改,可以通过分析或有限元方法找到参考解决方案,并显示如何将监督学习和FTS方法组合在一起,从而准确地计算了委员会功能和反应速率。我们还为使用FTS方法的算法提供了错误分析,使用少数样品在训练过程中可以准确估算反应速率。然后将这些方法应用于未知参考溶液的分子系统,其中仍然可以获得委员会功能和反应速率的准确计算。
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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.
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基于变异方法的量子算法是构建量子溶液的最有前途的方法之一,并在过去几年中发现了无数的应用。尽管具有适应性和简单性,但它们的可扩展性和选择合适的ATZ的选择仍然是主要的挑战。在这项工作中,我们报告了基于嵌套的蒙特卡洛树搜索(MCTS)的算法框架,并与组合多部队的bastit相结合( CMAB)模型,用于量子电路的自动设计。通过数值实验,我们证明了应用于各种问题的算法,包括量子化学中的地面能量问题,在图上进行量子优化,求解线性方程的系统,并找到编码编码与现有方法相比,用于量子误差检测代码的电路,结果表明我们的电路设计算法可以探索更大的搜索空间并优化较大系统的量子电路,从而显示出多功能性和可扩展性。
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The recent increase in public and academic interest in preserving biodiversity has led to the growth of the field of conservation technology. This field involves designing and constructing tools that utilize technology to aid in the conservation of wildlife. In this article, we will use case studies to demonstrate the importance of designing conservation tools with human-wildlife interaction in mind and provide a framework for creating successful tools. These case studies include a range of complexities, from simple cat collars to machine learning and game theory methodologies. Our goal is to introduce and inform current and future researchers in the field of conservation technology and provide references for educating the next generation of conservation technologists. Conservation technology not only has the potential to benefit biodiversity but also has broader impacts on fields such as sustainability and environmental protection. By using innovative technologies to address conservation challenges, we can find more effective and efficient solutions to protect and preserve our planet's resources.
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A Digital Twin (DT) is a simulation of a physical system that provides information to make decisions that add economic, social or commercial value. The behaviour of a physical system changes over time, a DT must therefore be continually updated with data from the physical systems to reflect its changing behaviour. For resource-constrained systems, updating a DT is non-trivial because of challenges such as on-board learning and the off-board data transfer. This paper presents a framework for updating data-driven DTs of resource-constrained systems geared towards system health monitoring. The proposed solution consists of: (1) an on-board system running a light-weight DT allowing the prioritisation and parsimonious transfer of data generated by the physical system; and (2) off-board robust updating of the DT and detection of anomalous behaviours. Two case studies are considered using a production gas turbine engine system to demonstrate the digital representation accuracy for real-world, time-varying physical systems.
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Diabetic Retinopathy (DR) is considered one of the primary concerns due to its effect on vision loss among most people with diabetes globally. The severity of DR is mostly comprehended manually by ophthalmologists from fundus photography-based retina images. This paper deals with an automated understanding of the severity stages of DR. In the literature, researchers have focused on this automation using traditional machine learning-based algorithms and convolutional architectures. However, the past works hardly focused on essential parts of the retinal image to improve the model performance. In this paper, we adopt transformer-based learning models to capture the crucial features of retinal images to understand DR severity better. We work with ensembling image transformers, where we adopt four models, namely ViT (Vision Transformer), BEiT (Bidirectional Encoder representation for image Transformer), CaiT (Class-Attention in Image Transformers), and DeiT (Data efficient image Transformers), to infer the degree of DR severity from fundus photographs. For experiments, we used the publicly available APTOS-2019 blindness detection dataset, where the performances of the transformer-based models were quite encouraging.
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We consider infinite horizon Markov decision processes (MDPs) with fast-slow structure, meaning that certain parts of the state space move "fast" (and in a sense, are more influential) while other parts transition more "slowly." Such structure is common in real-world problems where sequential decisions need to be made at high frequencies, yet information that varies at a slower timescale also influences the optimal policy. Examples include: (1) service allocation for a multi-class queue with (slowly varying) stochastic costs, (2) a restless multi-armed bandit with an environmental state, and (3) energy demand response, where both day-ahead and real-time prices play a role in the firm's revenue. Models that fully capture these problems often result in MDPs with large state spaces and large effective time horizons (due to frequent decisions), rendering them computationally intractable. We propose an approximate dynamic programming algorithmic framework based on the idea of "freezing" the slow states, solving a set of simpler finite-horizon MDPs (the lower-level MDPs), and applying value iteration (VI) to an auxiliary MDP that transitions on a slower timescale (the upper-level MDP). We also extend the technique to a function approximation setting, where a feature-based linear architecture is used. On the theoretical side, we analyze the regret incurred by each variant of our frozen-state approach. Finally, we give empirical evidence that the frozen-state approach generates effective policies using just a fraction of the computational cost, while illustrating that simply omitting slow states from the decision modeling is often not a viable heuristic.
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While the capabilities of autonomous systems have been steadily improving in recent years, these systems still struggle to rapidly explore previously unknown environments without the aid of GPS-assisted navigation. The DARPA Subterranean (SubT) Challenge aimed to fast track the development of autonomous exploration systems by evaluating their performance in real-world underground search-and-rescue scenarios. Subterranean environments present a plethora of challenges for robotic systems, such as limited communications, complex topology, visually-degraded sensing, and harsh terrain. The presented solution enables long-term autonomy with minimal human supervision by combining a powerful and independent single-agent autonomy stack, with higher level mission management operating over a flexible mesh network. The autonomy suite deployed on quadruped and wheeled robots was fully independent, freeing the human supervision to loosely supervise the mission and make high-impact strategic decisions. We also discuss lessons learned from fielding our system at the SubT Final Event, relating to vehicle versatility, system adaptability, and re-configurable communications.
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This paper presents our solutions for the MediaEval 2022 task on DisasterMM. The task is composed of two subtasks, namely (i) Relevance Classification of Twitter Posts (RCTP), and (ii) Location Extraction from Twitter Texts (LETT). The RCTP subtask aims at differentiating flood-related and non-relevant social posts while LETT is a Named Entity Recognition (NER) task and aims at the extraction of location information from the text. For RCTP, we proposed four different solutions based on BERT, RoBERTa, Distil BERT, and ALBERT obtaining an F1-score of 0.7934, 0.7970, 0.7613, and 0.7924, respectively. For LETT, we used three models namely BERT, RoBERTa, and Distil BERTA obtaining an F1-score of 0.6256, 0.6744, and 0.6723, respectively.
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Machine learning is the dominant approach to artificial intelligence, through which computers learn from data and experience. In the framework of supervised learning, for a computer to learn from data accurately and efficiently, some auxiliary information about the data distribution and target function should be provided to it through the learning model. This notion of auxiliary information relates to the concept of regularization in statistical learning theory. A common feature among real-world datasets is that data domains are multiscale and target functions are well-behaved and smooth. In this paper, we propose a learning model that exploits this multiscale data structure and discuss its statistical and computational benefits. The hierarchical learning model is inspired by the logical and progressive easy-to-hard learning mechanism of human beings and has interpretable levels. The model apportions computational resources according to the complexity of data instances and target functions. This property can have multiple benefits, including higher inference speed and computational savings in training a model for many users or when training is interrupted. We provide a statistical analysis of the learning mechanism using multiscale entropies and show that it can yield significantly stronger guarantees than uniform convergence bounds.
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