No Arabic abstract
In learning to discover novel classes (L2DNC), we are given labeled data from seen classes and unlabeled data from unseen classes, and we train clustering models for the unseen classes. However, the rigorous definition of L2DNC is unexplored, which results in that its implicit assumptions are still unclear. In this paper, we demystify assumptions behind L2DNC and find that high-level semantic features should be shared among the seen and unseen classes. This naturally motivates us to link L2DNC to meta-learning that has exactly the same assumption as L2DNC. Based on this finding, L2DNC is not only theoretically solvable, but can also be empirically solved by meta-learning algorithms after slight modifications. This L2DNC methodology significantly reduces the amount of unlabeled data needed for training and makes it more practical, as demonstrated in experiments. The use of very limited data is also justified by the application scenario of L2DNC: since it is unnatural to label only seen-class data, L2DNC is sampling instead of labeling in causality. Therefore, unseen-class data should be collected on the way of collecting seen-class data, which is why they are novel and first need to be clustered.
Alphas are stock prediction models capturing trading signals in a stock market. A set of effective alphas can generate weakly correlated high returns to diversify the risk. Existing alphas can be categorized into two classes: Formulaic alphas are simple algebraic expressions of scalar features, and thus can generalize well and be mined into a weakly correlated set. Machine learning alphas are data-driven models over vector and matrix features. They are more predictive than formulaic alphas, but are too complex to mine into a weakly correlated set. In this paper, we introduce a new class of alphas to model scalar, vector, and matrix features which possess the strengths of these two existing classes. The new alphas predict returns with high accuracy and can be mined into a weakly correlated set. In addition, we propose a novel alpha mining framework based on AutoML, called AlphaEvolve, to generate the new alphas. To this end, we first propose operators for generating the new alphas and selectively injecting relational domain knowledge to model the relations between stocks. We then accelerate the alpha mining by proposing a pruning technique for redundant alphas. Experiments show that AlphaEvolve can evolve initial alphas into the new alphas with high returns and weak correlations.
Our main motivation is to propose an efficient approach to generate novel multi-element stable chemical compounds that can be used in real world applications. This task can be formulated as a combinatorial problem, and it takes many hours of human experts to construct, and to evaluate new data. Unsupervised learning methods such as Generative Adversarial Networks (GANs) can be efficiently used to produce new data. Cross-domain Generative Adversarial Networks were reported to achieve exciting results in image processing applications. However, in the domain of materials science, there is a need to synthesize data with higher order complexity compared to observed samples, and the state-of-the-art cross-domain GANs can not be adapted directly. In this contribution, we propose a novel GAN called CrystalGAN which generates new chemically stable crystallographic structures with increased domain complexity. We introduce an original architecture, we provide the corresponding loss functions, and we show that the CrystalGAN generates very reasonable data. We illustrate the efficiency of the proposed method on a real original problem of novel hydrides discovery that can be further used in development of hydrogen storage materials.
We study learning of indexed families from positive data where a learner can freely choose a hypothesis space (with uniformly decidable membership) comprising at least the languages to be learned. This abstracts a very universal learning task which can be found in many areas, for example learning of (subsets of) regular languages or learning of natural languages. We are interested in various restrictions on learning, such as consistency, conservativeness or set-drivenness, exemplifying various natural learning restrictions. Building on previous results from the literature, we provide several maps (depictions of all pairwise relations) of various groups of learning criteria, including a map for monotonicity restrictions and similar criteria and a map for restrictions on data presentation. Furthermore, we consider, for various learning criteria, whether learners can be assumed consistent.
It is well-known that the process of developing machine learning (ML) workflows is a dark-art; even experts struggle to find an optimal workflow leading to a high accuracy model. Users currently rely on empirical trial-and-error to obtain their own set of battle-tested guidelines to inform their modeling decisions. In this study, we aim to demystify this dark art by understanding how people iterate on ML workflows in practice. We analyze over 475k user-generated workflows on OpenML, an open-source platform for tracking and sharing ML workflows. We find that users often adopt a manual, automated, or mixed approach when iterating on their workflows. We observe that manual approaches result in fewer wasted iterations compared to automated approaches. Yet, automated approaches often involve more preprocessing and hyperparameter options explored, resulting in higher performance overall--suggesting potential benefits for a human-in-the-loop ML system that appropriately recommends a clever combination of the two strategies.
Stochastic gradient descent (SGD) is a popular and efficient method with wide applications in training deep neural nets and other nonconvex models. While the behavior of SGD is well understood in the convex learning setting, the existing theoretical results for SGD applied to nonconvex objective functions are far from mature. For example, existing results require to impose a nontrivial assumption on the uniform boundedness of gradients for all iterates encountered in the learning process, which is hard to verify in practical implementations. In this paper, we establish a rigorous theoretical foundation for SGD in nonconvex learning by showing that this boundedness assumption can be removed without affecting convergence rates. In particular, we establish sufficient conditions for almost sure convergence as well as optimal convergence rates for SGD applied to both general nonconvex objective functions and gradient-dominated objective functions. A linear convergence is further derived in the case with zero variances.