HunFlair2 in a cross-corpus evaluation of biomedical named entity recognition and normalization tools.

MOTIVATION: With the exponential growth of the life sciences literature, biomedical text mining (BTM) has become an essential technology for accelerating the extraction of insights from publications. The identification of entities in texts, such as diseases or genes, and their normalization, i.e. grounding them in knowledge base, are crucial steps in any BTM pipeline to enable information aggregation from multiple documents. However, tools for these two steps are rarely applied in the same context in which they were developed. Instead, they are applied "in the wild," i.e. on application-dependent text collections from moderately to extremely different from those used for training, varying, e.g. in focus, genre or text type. This raises the question whether the reported performance, usually obtained by training and evaluating on different partitions of the same corpus, can be trusted for downstream applications. RESULTS: Here, we report on the results of a carefully designed cross-corpus benchmark for entity recognition and normalization, where tools were applied systematically to corpora not used during their training. Based on a survey of 28 published systems, we selected five, based on predefined criteria like feature richness and availability, for an in-depth analysis on three publicly available corpora covering four entity types. Our results present a mixed picture and show that cross-corpus performance is significantly lower than the in-corpus performance. HunFlair2, the redesigned and extended successor of the HunFlair tool, showed the best performance on average, being closely followed by PubTator Central. Our results indicate that users of BTM tools should expect a lower performance than the original published one when applying tools in "the wild" and show that further research is necessary for more robust BTM tools. AVAILABILITY AND IMPLEMENTATION: All our models are integrated into the Natural Language Processing (NLP) framework flair: https://github.com/flairNLP/flair. Code to reproduce our results is available at: https://github.com/hu-ner/hunflair2-experiments.

A qualitative assessment of using ChatGPT as large language model for scientific workflow development.

BACKGROUND: Scientific workflow systems are increasingly popular for expressing and executing complex data analysis pipelines over large datasets, as they offer reproducibility, dependability, and scalability of analyses by automatic parallelization on large compute clusters. However, implementing workflows is difficult due to the involvement of many black-box tools and the deep infrastructure stack necessary for their execution. Simultaneously, user-supporting tools are rare, and the number of available examples is much lower than in classical programming languages. RESULTS: To address these challenges, we investigate the efficiency of large language models (LLMs), specifically ChatGPT, to support users when dealing with scientific workflows. We performed 3 user studies in 2 scientific domains to evaluate ChatGPT for comprehending, adapting, and extending workflows. Our results indicate that LLMs efficiently interpret workflows but achieve lower performance for exchanging components or purposeful workflow extensions. We characterize their limitations in these challenging scenarios and suggest future research directions. CONCLUSIONS: Our results show a high accuracy for comprehending and explaining scientific workflows while achieving a reduced performance for modifying and extending workflow descriptions. These findings clearly illustrate the need for further research in this area.

Chemical-protein relation extraction with ensembles of carefully tuned pretrained language models.

The identification of chemical-protein interactions described in the literature is an important task with applications in drug design, precision medicine and biotechnology. Manual extraction of such relationships from the biomedical literature is costly and often prohibitively time-consuming. The BioCreative VII DrugProt shared task provides a benchmark for methods for the automated extraction of chemical-protein relations from scientific text. Here we describe our contribution to the shared task and report on the achieved results. We define the task as a relation classification problem, which we approach with pretrained transformer language models. Upon this basic architecture, we experiment with utilizing textual and embedded side information from knowledge bases as well as additional training data to improve extraction performance. We perform a comprehensive evaluation of the proposed model and the individual extensions including an extensive hyperparameter search leading to 2647 different runs. We find that ensembling and choosing the right pretrained language model are crucial for optimal performance, whereas adding additional data and embedded side information did not improve results. Our best model is based on an ensemble of 10 pretrained transformers and additional textual descriptions of chemicals taken from the Comparative Toxicogenomics Database. The model reaches an F1 score of 79.73% on the hidden DrugProt test set and achieves the first rank out of 107 submitted runs in the official evaluation. Database URL: https://github.com/leonweber/drugprot.

Annotation and initial evaluation of a large annotated German oncological corpus.

OBJECTIVE: We present the Berlin-Tübingen-Oncology corpus (BRONCO), a large and freely available corpus of shuffled sentences from German oncological discharge summaries annotated with diagnosis, treatments, medications, and further attributes including negation and speculation. The aim of BRONCO is to foster reproducible and openly available research on Information Extraction from German medical texts. MATERIALS AND METHODS: BRONCO consists of 200 manually deidentified discharge summaries of cancer patients. Annotation followed a structured and quality-controlled process involving 2 groups of medical experts to ensure consistency, comprehensiveness, and high quality of annotations. We present results of several state-of-the-art techniques for different IE tasks as baselines for subsequent research. RESULTS: The annotated corpus consists of 11 434 sentences and 89 942 tokens, annotated with 11 124 annotations for medical entities and 3118 annotations of related attributes. We publish 75% of the corpus as a set of shuffled sentences, and keep 25% as held-out data set for unbiased evaluation of future IE tools. On this held-out dataset, our baselines reach depending on the specific entity types F1-scores of 0.72-0.90 for named entity recognition, 0.10-0.68 for entity normalization, 0.55 for negation detection, and 0.33 for speculation detection. DISCUSSION: Medical corpus annotation is a complex and time-consuming task. This makes sharing of such resources even more important. CONCLUSION: To our knowledge, BRONCO is the first sizable and freely available German medical corpus. Our baseline results show that more research efforts are necessary to lift the quality of information extraction in German medical texts to the level already possible for English.

HunFlair: an easy-to-use tool for state-of-the-art biomedical named entity recognition.

SUMMARY: Named entity recognition (NER) is an important step in biomedical information extraction pipelines. Tools for NER should be easy to use, cover multiple entity types, be highly accurate and be robust toward variations in text genre and style. We present HunFlair, a NER tagger fulfilling these requirements. HunFlair is integrated into the widely used NLP framework Flair, recognizes five biomedical entity types, reaches or overcomes state-of-the-art performance on a wide set of evaluation corpora, and is trained in a cross-corpus setting to avoid corpus-specific bias. Technically, it uses a character-level language model pretrained on roughly 24 million biomedical abstracts and three million full texts. It outperforms other off-the-shelf biomedical NER tools with an average gain of 7.26 pp over the next best tool in a cross-corpus setting and achieves on-par results with state-of-the-art research prototypes in in-corpus experiments. HunFlair can be installed with a single command and is applied with only four lines of code. Furthermore, it is accompanied by harmonized versions of 23 biomedical NER corpora. AVAILABILITY AND IMPLEMENTATION: HunFlair ist freely available through the Flair NLP framework (https://github.com/flairNLP/flair) under an MIT license and is compatible with all major operating systems. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.

Large-scale entity representation learning for biomedical relationship extraction.

MOTIVATION: The automatic extraction of published relationships between molecular entities has important applications in many biomedical fields, ranging from Systems Biology to Personalized Medicine. Existing works focused on extracting relationships described in single articles or in single sentences. However, a single record is rarely sufficient to judge upon the biological correctness of a relation, as experimental evidence might be weak or only valid in a certain context. Furthermore, statements may be more speculative than confirmative, and different articles often contradict each other. Experts therefore always take the complete literature into account to take a reliable decision upon a relationship. It is an open research question how to do this effectively in an automatic manner. RESULTS: We propose two novel relation extraction approaches which use recent representation learning techniques to create comprehensive models of biomedical entities or entity-pairs, respectively. These representations are learned by considering all publications from PubMed mentioning an entity or a pair. They are used as input for a neural network for classifying relations globally, i.e. the derived predictions are corpus-based, not sentence- or article based as in prior art. Experiments on the extraction of mutation-disease, drug-disease and drug-drug relationships show that the learned embeddings indeed capture semantic information of the entities under study and outperform traditional methods by 4-29% regarding F1 score. AVAILABILITY AND IMPLEMENTATION: Source codes are available at: https://github.com/mariosaenger/bio-re-with-entity-embeddings. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.