Molecular Representation Learning (MRL) has emerged as a powerful tool for drug and materials discovery in a variety of tasks such as virtual screening and inverse design. While there has been a surge of interest in advancing modelcentric techniques, the influence of both data quantity and quality on molecular representations is not yet clearly understood within this field.

We study a generalization of boosting to the multiclass setting. We introduce a weak learning condition for multiclass classification that captures the original notion of weak learnability as being "slightly better than random guessing". We give a simple and efficient boosting algorithm, that does not require realizability assumptions and its sample and oracle complexity bounds are independent of the number of classes. In addition, we utilize our new boosting technique in several theoretical applications within the context of List PACLearning. First, we establish an equivalence to weak PAC learning. Furthermore, we present a new result on boosting for list learners, as well as provide a novel proof for the characterization of multiclass PAC learning and List PAC learning. Notably, our technique gives rise to a simplified analysis, and also implies an improved error bound for large list sizes, compared to previous results.

Graph neural architecture search (GraphNAS) has recently aroused considerable attention in both academia and industry. However, two key challenges seriously hinder the further research of GraphNAS. First, since there is no consensus for the experimental setting, the empirical results in different research papers are often not comparable and even not reproducible, leading to unfair comparisons. Secondly, GraphNAS often needs extensive computations, which makes it highly inefficient and inaccessible to researchers without access to large-scale computation. To solve these challenges, we propose NAS-Bench-Graph, a tailored benchmark that supports unified, reproducible, and efficient evaluations for GraphNAS.

What are Russia's gains from the Iran war? 'We are not losers; we are winners' A Ukrainian married couple, both aged 75, were killed in a Russian attack on Odesa, Ukrainian officials said. Russia launched a series of drone attacks on and near Ukraine's southern port city. The assault destroyed residential buildings and hit a foreign merchant ship, according to Ukrainian authorities. A separate attack killed the married couple and wounded another, reported Ukraine's State Emergency Service. Serhiy Lysak, head of the local military administration, shared images of a building engulfed in flames and another torn open along one side, as emergency crews worked inside.

We provide supplementary materials for the submission of Self-Weighted Contrastive Learning among Multiple Views for Mitigating Representation Degeneration. Specifically, Appendix A (Page1) shows all theoretical proofs and complexity analysis of SEM; Appendix B (Page-7) includes the settings in experiments; Appendix C (Page-8) lists additional experimental results and provides more experimental analysis, which are not shown in the paper due to space; Appendix D (Page-10) discusses the limitations and future work of this paper. The code implementation, trained models, and datasets used in our method are provided in https://github.com/SubmissionsIn/SEM. I(Xv;Hv), (8) where Wm,n > 0 as two views (v {m,n}) are with positive class mutual information. Therefore, if Hv is the tv-th layer's features (i.e., Hv(tv) act as the regularized hidden features), we have I(S;Zv) I(S;Xv) This design aims at separately maintaining different views' discriminative information by {Hv}Vv=1 and exploring their common semantic information by {Zv}Vv=1.

Knowing what you know: valid and validated631 confidence sets in multiclass and multilabel prediction.

What does the data tell us about immigration in Wales? Like many countries, Wales sees a steady flow of people arriving and leaving for other countries each year. The difference between those arriving and those leaving is known as net migration. Focusing on people moving from abroad, latest estimates say Wales' population - which was 3.2 million in June 2024 - had increased by about 23,000 over the previous year as a result of net international migration. A recent YouGov poll found a quarter of people surveyed in Wales believed that immigration, alongside the economy, should be among the issues prioritised by the Welsh government, even though immigration is controlled by the UK government.