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byAK and the research community

Sep 16

Is linguistically-motivated data augmentation worth it?

Data augmentation, a widely-employed technique for addressing data scarcity, involves generating synthetic data examples which are then used to augment available training data. Researchers have seen surprising success from simple methods, such as random perturbations from natural examples, where models seem to benefit even from data with nonsense words, or data that doesn't conform to the rules of the language. A second line of research produces synthetic data that does in fact follow all linguistic constraints; these methods require some linguistic expertise and are generally more challenging to implement. No previous work has done a systematic, empirical comparison of both linguistically-naive and linguistically-motivated data augmentation strategies, leaving uncertainty about whether the additional time and effort of linguistically-motivated data augmentation work in fact yields better downstream performance. In this work, we conduct a careful and comprehensive comparison of augmentation strategies (both linguistically-naive and linguistically-motivated) for two low-resource languages with different morphological properties, Uspanteko and Arapaho. We evaluate the effectiveness of many different strategies and their combinations across two important sequence-to-sequence tasks for low-resource languages: machine translation and interlinear glossing. We find that linguistically-motivated strategies can have benefits over naive approaches, but only when the new examples they produce are not significantly unlike the training data distribution.

Navigating Chemical-Linguistic Sharing Space with Heterogeneous Molecular Encoding

Chemical language models (CLMs) are prominent for their effectiveness in exploring chemical space and enabling molecular engineering. However, while exploring chemical-linguistic space, CLMs suffer from the gap between natural language and molecular representations. This challenge is primarily due to the inherent modeling differences between molecules and texts: molecules operate unified modeling to learn chemical space, while natural language sequentially models the semantic space. Additionally, the limited availability of high-quality text-to-molecule datasets further exacerbates this challenge. To address the problem, we first verified the information bias in molecular representations from different perspectives. We then developed the Heterogeneous Molecular Encoding (HME) framework, a unified molecular encoder compressing the molecular features from fragment sequence, topology, and conformation with Q-learning. To better model chemical-linguistic space, we further constructed the MCMoD dataset, which contains over one million molecules with various conditions, including properties, fragments, and descriptions. Experimentally, HME promotes CLMs to achieve chemical-linguistic sharing space exploration: (1) chemical space exploration with linguistic guidance, where HME achieves significant improvements (+37.8\% FCD) for molecular design in multiple constraints, even in zero-shot scenarios; (2) linguistic space exploration with molecular guidance, where HME generates textual descriptions with high qualities (+11.6\% BLEU) for molecules. These results highlight the precision of HME in handling multi-objective and cross-domain tasks, as well as its remarkable generalization capability on unseen task combinations. HME offers a new perspective on navigating chemical-linguistic sharing space, advancing the potential of CLMs in both fundamental research and practical applications in chemistry.