Daily Papers

Molecular structure elucidation from spectroscopic data is a long-standing challenge in Chemistry, traditionally requiring expert interpretation. We introduce NMIRacle, a two-stage generative framework that builds upon recent paradigms in AI-driven spectroscopy with minimal assumptions. In the first stage, NMIRacle learns to reconstruct molecular structures from count-aware fragment encodings, which capture both fragment identities and their occurrences. In the second stage, a spectral encoder maps input spectroscopic measurements (IR, 1H-NMR, 13C-NMR) into a latent embedding that conditions the pre-trained generator. This formulation bridges fragment-level chemical modeling with spectral evidence, yielding accurate molecular predictions. Empirical results show that NMIRacle outperforms existing baselines on molecular elucidation, while maintaining robust performance across increasing levels of molecular complexity.

General-purpose sentence embedding models often struggle to capture specialized financial semantics, especially in low-resource languages like Korean, due to domain-specific jargon, temporal meaning shifts, and misaligned bilingual vocabularies. To address these gaps, we introduce NMIXX (Neural eMbeddings for Cross-lingual eXploration of Finance), a suite of cross-lingual embedding models fine-tuned with 18.8K high-confidence triplets that pair in-domain paraphrases, hard negatives derived from a semantic-shift typology, and exact Korean-English translations. Concurrently, we release KorFinSTS, a 1,921-pair Korean financial STS benchmark spanning news, disclosures, research reports, and regulations, designed to expose nuances that general benchmarks miss. When evaluated against seven open-license baselines, NMIXX's multilingual bge-m3 variant achieves Spearman's rho gains of +0.10 on English FinSTS and +0.22 on KorFinSTS, outperforming its pre-adaptation checkpoint and surpassing other models by the largest margin, while revealing a modest trade-off in general STS performance. Our analysis further shows that models with richer Korean token coverage adapt more effectively, underscoring the importance of tokenizer design in low-resource, cross-lingual settings. By making both models and the benchmark publicly available, we provide the community with robust tools for domain-adapted, multilingual representation learning in finance.