使用机器学习算法来预测复杂系统的行为正在蓬勃发展。但是，在包括燃烧在内的多物理问题中有效利用机器学习工具的关键是将它们与物理和计算机模型搭配使用。如果所有先验知识和物理约束都体现了这些工具的性能。换句话说，必须对科学方法进行调整，以使机器学习进入图片，并充分利用我们生成的大量数据，这要归功于数值计算的进步。本章回顾了一些开放的机会，用于应用燃烧系统的数据驱动的减少订单建模。提供了湍流燃烧数据，经验低维歧管（ELDM）识别，分类，回归和降低阶数模型中特征提取的示例。

在许多反应流系统中，已知或假定热化学状态空间与低维歧管（LDM）相近。可以使用各种方法来获取这些歧管，并随后表达具有更少参数化变量的原始高维空间。主成分分析（PCA）是可用于获得LDM的维度降低方法之一。 PCA没有对参数化变量做出事先假设，并从训练数据中凭经验检索它们。在本文中，我们表明将PCA应用于局部数据簇（本地PCA）能够检测热化学状态空间的内在参数化。我们首先证明，使用三种不同复杂性的共同燃烧模型：Burke-Schumann模型，化学平衡模型和均匀反应器。这些模型的参数化已知先验，可以通过本地PCA方法进行基准测试。我们进一步将本地PCA的应用扩展到更具挑战性的案例，即湍流的非原型$ n $ heptane/air喷气火焰，该燃料不再显而易见。我们的结果表明，对于更复杂的数据集也可以获得有意义的参数化。我们表明，局部PCA找到可以链接到局部化学计量，反应进度和烟灰形成过程的变量。

Computational units in artificial neural networks follow a simplified model of biological neurons. In the biological model, the output signal of a neuron runs down the axon, splits following the many branches at its end, and passes identically to all the downward neurons of the network. Each of the downward neurons will use their copy of this signal as one of many inputs dendrites, integrate them all and fire an output, if above some threshold. In the artificial neural network, this translates to the fact that the nonlinear filtering of the signal is performed in the upward neuron, meaning that in practice the same activation is shared between all the downward neurons that use that signal as their input. Dendrites thus play a passive role. We propose a slightly more complex model for the biological neuron, where dendrites play an active role: the activation in the output of the upward neuron becomes optional, and instead the signals going through each dendrite undergo independent nonlinear filterings, before the linear combination. We implement this new model into a ReLU computational unit and discuss its biological plausibility. We compare this new computational unit with the standard one and describe it from a geometrical point of view. We provide a Keras implementation of this unit into fully connected and convolutional layers and estimate their FLOPs and weights change. We then use these layers in ResNet architectures on CIFAR-10, CIFAR-100, Imagenette, and Imagewoof, obtaining performance improvements over standard ResNets up to 1.73%. Finally, we prove a universal representation theorem for continuous functions on compact sets and show that this new unit has more representational power than its standard counterpart.

Fruit is a key crop in worldwide agriculture feeding millions of people. The standard supply chain of fruit products involves quality checks to guarantee freshness, taste, and, most of all, safety. An important factor that determines fruit quality is its stage of ripening. This is usually manually classified by experts in the field, which makes it a labor-intensive and error-prone process. Thus, there is an arising need for automation in the process of fruit ripeness classification. Many automatic methods have been proposed that employ a variety of feature descriptors for the food item to be graded. Machine learning and deep learning techniques dominate the top-performing methods. Furthermore, deep learning can operate on raw data and thus relieve the users from having to compute complex engineered features, which are often crop-specific. In this survey, we review the latest methods proposed in the literature to automatize fruit ripeness classification, highlighting the most common feature descriptors they operate on.

Artificial neural networks can learn complex, salient data features to achieve a given task. On the opposite end of the spectrum, mathematically grounded methods such as topological data analysis allow users to design analysis pipelines fully aware of data constraints and symmetries. We introduce a class of persistence-based neural network layers. Persistence-based layers allow the users to easily inject knowledge about symmetries (equivariance) respected by the data, are equipped with learnable weights, and can be composed with state-of-the-art neural architectures.

In this work we introduce reinforcement learning techniques for solving lexicographic multi-objective problems. These are problems that involve multiple reward signals, and where the goal is to learn a policy that maximises the first reward signal, and subject to this constraint also maximises the second reward signal, and so on. We present a family of both action-value and policy gradient algorithms that can be used to solve such problems, and prove that they converge to policies that are lexicographically optimal. We evaluate the scalability and performance of these algorithms empirically, demonstrating their practical applicability. As a more specific application, we show how our algorithms can be used to impose safety constraints on the behaviour of an agent, and compare their performance in this context with that of other constrained reinforcement learning algorithms.

In contextual linear bandits, the reward function is assumed to be a linear combination of an unknown reward vector and a given embedding of context-arm pairs. In practice, the embedding is often learned at the same time as the reward vector, thus leading to an online representation learning problem. Existing approaches to representation learning in contextual bandits are either very generic (e.g., model-selection techniques or algorithms for learning with arbitrary function classes) or specialized to particular structures (e.g., nested features or representations with certain spectral properties). As a result, the understanding of the cost of representation learning in contextual linear bandit is still limited. In this paper, we take a systematic approach to the problem and provide a comprehensive study through an instance-dependent perspective. We show that representation learning is fundamentally more complex than linear bandits (i.e., learning with a given representation). In particular, learning with a given set of representations is never simpler than learning with the worst realizable representation in the set, while we show cases where it can be arbitrarily harder. We complement this result with an extensive discussion of how it relates to existing literature and we illustrate positive instances where representation learning is as complex as learning with a fixed representation and where sub-logarithmic regret is achievable.

Relation extraction (RE) is a sub-discipline of information extraction (IE) which focuses on the prediction of a relational predicate from a natural-language input unit (such as a sentence, a clause, or even a short paragraph consisting of multiple sentences and/or clauses). Together with named-entity recognition (NER) and disambiguation (NED), RE forms the basis for many advanced IE tasks such as knowledge-base (KB) population and verification. In this work, we explore how recent approaches for open information extraction (OpenIE) may help to improve the task of RE by encoding structured information about the sentences' principal units, such as subjects, objects, verbal phrases, and adverbials, into various forms of vectorized (and hence unstructured) representations of the sentences. Our main conjecture is that the decomposition of long and possibly convoluted sentences into multiple smaller clauses via OpenIE even helps to fine-tune context-sensitive language models such as BERT (and its plethora of variants) for RE. Our experiments over two annotated corpora, KnowledgeNet and FewRel, demonstrate the improved accuracy of our enriched models compared to existing RE approaches. Our best results reach 92% and 71% of F1 score for KnowledgeNet and FewRel, respectively, proving the effectiveness of our approach on competitive benchmarks.

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.

Quantum computing is a promising paradigm based on quantum theory for performing fast computations. Quantum algorithms are expected to surpass their classical counterparts in terms of computational complexity for certain tasks, including machine learning. In this paper, we design, implement, and evaluate three hybrid quantum k-Means algorithms, exploiting different degree of parallelism. Indeed, each algorithm incrementally leverages quantum parallelism to reduce the complexity of the cluster assignment step up to a constant cost. In particular, we exploit quantum phenomena to speed up the computation of distances. The core idea is that the computation of distances between records and centroids can be executed simultaneously, thus saving time, especially for big datasets. We show that our hybrid quantum k-Means algorithms can be more efficient than the classical version, still obtaining comparable clustering results.