Abstract:Deep learning models facilitate the discovery of molecules with tailored properties among billions of candidate compounds. However, the computational burden to develop and deploy state-of-the-art models continuously increases, limiting their scalability. Most large-scale models are unimodal in nature and overlook the potential to leverage complementary molecular data modalities. To address these shortcomings, this paper introduces the Graph-Language Alignment for Chemical Inference and Exploration using Representations (GLACIER) model, a student-teacher framework that integrates molecular graphs, SMILES strings, and physicochemical descriptors to learn rich molecular embeddings. Our framework consists of three stages: (1) we pretrain three student encoders on 100,000 drug-like molecules: a message-passing neural network for molecular graphs, a transformer-based encoder for SMILES strings, and a multilayer perceptron for physicochemical descriptors, (2) we fuse these student modalities using a novel Finsler geometry-aware module, and (3) distill complementary knowledge from large teacher models, including MiniMol and MolFormer, into a single lightweight model via contrastive learning. We demonstrate that GLACIER is a robust framework that delivers high predictive performance and computational efficiency in complex molecular property prediction tasks. Our code is publicly available at https://github.com/eemokey/glacier.
Abstract:Professional job recommendation involves a complex bipartite matching process that must reconcile a candidate's subjective preference with an employer's objective qualification. While Large Language Models (LLMs) are well-suited for modeling the rich semantics of resumes and job descriptions, existing paradigms often collapse these two decision dimensions into a single interaction signal, yielding confounded supervision under recruitment-funnel censoring and limiting policy controllability. To address these challenges, We propose JobRec, a generative job recommendation framework for de-conflating preference and qualification via constrained dual-perspective reasoning. JobRec introduces a Unified Semantic Alignment Schema that aligns candidate and job attributes into structured semantic layers, and a Two-Stage Cooperative Training Strategy that learns decoupled experts to separately infer preference and qualification. Building on these experts, a Lagrangian-based Policy Alignment module optimizes recommendations under explicit eligibility requirements, enabling controllable trade-offs. To mitigate data scarcity, we construct a synthetic dataset refined by experts. Experiments show that JobRec consistently outperforms strong baselines and provides improved controllability for strategy-aware professional matching.