Generalization Lessons from Biomedical Relation Extraction using Pretrained Transformer Models

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2023-12
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Melbourne Authors
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Computing and Information Systems
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PhD thesis
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Open Access
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© 2024 Aparna Elangovan
Abstract
Curating structured knowledge for storing in biomedical knowledge databases, requires human experts to annotate relationships, thus making maintenance of these databases expensive and difficult to scale to the large quantities of information presented in scientific publications. It is challenging to ensure that the information is comprehensive and up-to-date. Hence, we investigate the generalization capabilities of state-of-the-art natural language processing (NLP) techniques to automate relation extraction to aid human curation. In NLP, deep learning-based architectures, in particular pretrained transformer models with millions of parameters enabling them to achieve state of the art (SOTA) performance, have been dominating leaderboards on public benchmark datasets, usually achieved by fine-tuning pretrained transformer models on the target dataset task. In our research, we investigate the generalizability of such SOTA models – fine-tuned pretrained transformer models – in biomedical relation extraction for real-world applications where the performance expectations of these models need to be applicable beyond the official test sets. While our experiments focus on the current SOTA models, our findings have broader implications on generalization of NLP models and their performance evaluations. We ask the following research questions: 1. How generalizable are fine-tuned pretrained transformer models in biomedical relation extraction? 2. What factors lead to poor generalizability despite high test set performance of fine-tuned pretrained transformer models? 3. How can we improve qualitative aspects of the training data to improve real-world generalization performance of fine-tuned pretrained transformer models? The contributions are: 1) We identify a large performance gap compared to the test set when a SOTA fine-tuned pretrained transformer model is applied at large scale. This substantial generalization gap has neither been verified nor reported in prior large scale biomedical relation extraction studies. 2) We identify that high similarity between training and test sets, even with random splits, can result in inflated performance measurements. We suggest stratifying the test set based on similarity to the training set to provide a more effective interpretation of the results to understand memorization versus generalization capabilities of a model. Furthermore, we also find that the fine-tuned pretrained transformer models appear to rely on spurious correlations that are present in both training and test sets, obtaining inflated test set performance. 3) We also find that, for a given quantity of training data, qualitative aspects can boost performance when fine-tuning pretrained transformers. More specifically, we find that incorporating training samples that are quite similar to one another but have different ground truth labels – we call them human-adversarials – in low to moderate proportions can boost generalization performance by up to 20 points on fine-tuned pretrained transformer models such as BERT, BioBERT and RoBERTa. On the other hand, training samples that are quite similar to one another and have the same ground truth labels – we call them human-affables – can potentially degrade generalization performance. We thus demonstrate that merely aiming for higher quantities of training data is not sufficient to improve generalization. 4) As a result of our findings 1 & 2, we propose to the NLP community that confirming linguistic capabilities as the cause of performance gains even within the context of the test set is crucial to generalization, adapting generalization principles from clinical studies. We thus advocate for effective test sets & evaluation strategies, including adapting concepts such as randomized controlled trials from clinical studies for NLP to establish causation, as our experiments demonstrate how a test set constructed using the standard practice of random splits may not be sufficient to measure generalization capabilities of a model. Overall, in this thesis, we closely examine model generalization and aim to strengthen how machine learning models are evaluated. While we do so in the context of biomedical relation extraction, where generalizability is critical – our findings are applicable to the entire field of machine learning model evaluation in NLP.
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NLP, Natural Language Processing, Evaluation, Generalization, Causation in models, Spurious correlations, Effectiveness of test sets
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