arXiv:2510. 23379v2 Announce Type: replace-cross Abstract: We investigate a relatively under-explored class of hybrid neurosymbolic models that integrate symbolic learning with neural reasoning to construct data generators meeting formal correctness criteria.
arXiv:2608. 10843v1 Announce Type: new Abstract: First-order concept synthesis asks a system to infer one formula that classifies labeled objects consistently across several finite relational structures.
arXiv:2410. 05289v4 Announce Type: replace Abstract: Background: Neurosymbolic (NeSy) artificial intelligence describes the combination of logic or rule-based techniques with neural networks.
arXiv:2510. 14538v3 Announce Type: replace Abstract: Neuro-symbolic (NeSy) AI aims to develop deep neural networks whose predictions comply with prior knowledge encoding, e.
arXiv:2605. 04193v2 Announce Type: replace Abstract: Inductive Logic Programming (ILP) aims to learn interpretable first-order rules from data, but existing symbolic and neuro-symbolic approaches struggle to scale to noisy and probabilistic settings.
arXiv:2606. 07704v1 Announce Type: cross Abstract: Symbolic regression aims to uncover explicit scientific laws from data.
Kinetic model discovery is a central challenge in chemical engineering, as accurate rate expressions are essential for understanding and controlling chemical and biological processes. Symbolic regression (SR) has emerged as a powerful data-driven approach for identifying interpretable kinetic models, but usually operates without domain knowledge, often exploring physicochemically implausible models.
arXiv:2608. 05120v1 Announce Type: new Abstract: Kinetic model discovery is a central challenge in chemical engineering, as accurate rate expressions are essential for understanding and controlling chemical and biological processes.
arXiv:2608. 10480v1 Announce Type: new Abstract: Large language models (LLMs) are widely applied across chemical tasks, such as molecular property prediction, which underpins drug discovery.
arXiv:2607. 12771v1 Announce Type: new Abstract: Reaction mechanisms consist of the step-by-step sequences of elementary reactions that explain chemical transformations.
arXiv:2607. 04688v1 Announce Type: cross Abstract: Synthesis planning aiming to find pathways of reactions for a target molecule is one of the most important and challenging tasks in drug discovery.
Large language models (LLMs) are widely applied across chemical tasks, such as molecular property prediction, which underpins drug discovery. Molecular LLMs represent a molecule through several modalities, notably a 1D SMILES sequence or a 2D molecular graph.
arXiv:2607. 08404v1 Announce Type: cross Abstract: Current computational approaches for drug design typically focus on generating molecules conditioned on specific targets or general molecular properties, often neglecting the influence of disease context on target behavior and therapeutic outcomes.