Furthermore, weprovethat, under mild assumptions, a slight variation of WQL enjoys desirable theoretical properties in the tabular setting.

Reinforcement Learning agent and a configurator that can modify some environmental parameters to improve the agent's performance.

Despite decades of progress in machine learning applications for predicting molecular structures from MS/MS spectra, the development of new methods is severely hindered by the lack of standard datasets and evaluation protocols. To address this problem, we propose MassSpecGym - the first comprehensive benchmark for the discovery and identification of molecules from MS/MS data.

In pioneering work from 2019, Barceló and coauthors identified logics that precisely match the expressive power of constant iteration-depth graph neural networks (GNNs) relative to properties definable in first-order logic. In this article, we give exact logical characterizations of recurrent GNNs in two scenarios: (1) in the setting with floating-point numbers and (2) with reals. For floats, the formalism matching recurrent GNNs is a rule-based modal logic with counting, while for reals we use a suitable infinitary modal logic, also with counting. These results give exact matches between logics and GNNs in the recurrent setting without rel-ativising to a background logic in either case, but using some natural assumptions about floating-point arithmetic. Applying our characterizations, we also prove that, relative to graph properties definable in monadic second-order logic (MSO), our infinitary and rule-based logics are equally expressive. This implies that recurrent GNNs with reals and floats have the same expressive power over MSO-definable properties and shows that, for such properties, also recurrent GNNs with reals are characterized by a (finitary!)

Existing solutions either work under very specific assumptions or achieve bounds that are vacuous in some regimes.

We introduce the problem of learning conditional averages in the PAC framework. The learner receives a sample labeled by an unknown target concept from a known concept class, as in standard PAC learning. However, instead of learning the target concept itself, the goal is to predict, for each instance, the average label over its neighborhood -- an arbitrary subset of points that contains the instance. In the degenerate case where all neighborhoods are singletons, the problem reduces exactly to classic PAC learning. More generally, it extends PAC learning to a setting that captures learning tasks arising in several domains, including explainability, fairness, and recommendation systems. Our main contribution is a complete characterization of when conditional averages are learnable, together with sample complexity bounds that are tight up to logarithmic factors. The characterization hinges on the joint finiteness of two novel combinatorial parameters, which depend on both the concept class and the neighborhood system, and are closely related to the independence number of the associated neighborhood graph.