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Andrej Kastrin

Publications and source records attributed to Andrej Kastrin.

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On solving symmetric multi-type orthogonal non-negative matrix tri-factorization problem

We study the symmetric multi-type orthogonal non-negative matrix tri-factorization problem, where several symmetric non-negative matrices are simultaneously approximated by factors of the form $GS_{i}G^{\top}$, with a shared non-negative and orthogonal factor $G$. This model is motivated by clustering and network analysis, where non-negativity improves interpretability and orthogonality gives a natural assignment-type structure to the latent factor. Since the resulting optimization problem is highly non-convex, we develop two heuristic algorithms for computing high-quality local solutions. The first one is a fixed point method derived from the Karush-Kuhn-Tucker conditions after adding a penalty term for the orthogonality constraint. The second one is a three-stage ADAM-based method that combines non-negativity-preserving optimization, orthogonalization, and restricted ADAM refinement on the feasible set. We evaluate both methods on synthetic data, including noisy instances, and on citation network benchmarks. The synthetic experiments show that both algorithms recover factorizations close to the optimum and remain stable under noise. On real networks, the learned embeddings are competitive with or better than standard baselines such as SVD, node2vec, and classical link prediction heuristics in link prediction, node clustering, and node classification tasks.

cs.LG

Recent Advances and Future Directions in Literature-Based Discovery

The explosive growth of scientific publications has created an urgent need for automated methods that facilitate knowledge synthesis and hypothesis generation. Literature-based discovery (LBD) addresses this challenge by uncovering previously unknown associations between disparate domains. This article surveys recent methodological advances in LBD, focusing on developments from 2000 to the present. We review progress in three key areas: knowledge graph construction, deep learning approaches, and the integration of pre-trained and large language models (LLMs). While LBD has made notable progress, several fundamental challenges remain unresolved, particularly concerning scalability, reliance on structured data, and the need for extensive manual curation. By examining ongoing advances and outlining promising future directions, this survey underscores the transformative role of LLMs in enhancing LBD and aims to support researchers and practitioners in harnessing these technologies to accelerate scientific innovation.

cs.CL

Make Literature-Based Discovery Great Again through Reproducible Pipelines

By connecting disparate sources of scientific literature, literature\-/based discovery (LBD) methods help to uncover new knowledge and generate new research hypotheses that cannot be found from domain-specific documents alone. Our work focuses on bisociative LBD methods that combine bisociative reasoning with LBD techniques. The paper presents LBD through the lens of reproducible science to ensure the reproducibility of LBD experiments, overcome the inconsistent use of benchmark datasets and methods, trigger collaboration, and advance the LBD field toward more robust and impactful scientific discoveries. The main novelty of this study is a collection of Jupyter Notebooks that illustrate the steps of the bisociative LBD process, including data acquisition, text preprocessing, hypothesis formulation, and evaluation. The contributed notebooks implement a selection of traditional LBD approaches, as well as our own ensemble-based, outlier-based, and link prediction-based approaches. The reader can benefit from hands-on experience with LBD through open access to benchmark datasets, code reuse, and a ready-to-run Docker recipe that ensures reproducibility of the selected LBD methods.

cs.CL

AHAM: Adapt, Help, Ask, Model -- Harvesting LLMs for literature mining

In an era marked by a rapid increase in scientific publications, researchers grapple with the challenge of keeping pace with field-specific advances. We present the `AHAM' methodology and a metric that guides the domain-specific \textbf{adapt}ation of the BERTopic topic modeling framework to improve scientific text analysis. By utilizing the LLaMa2 generative language model, we generate topic definitions via one-shot learning by crafting prompts with the \textbf{help} of domain experts to guide the LLM for literature mining by \textbf{asking} it to model the topic names. For inter-topic similarity evaluation, we leverage metrics from language generation and translation processes to assess lexical and semantic similarity of the generated topics. Our system aims to reduce both the ratio of outlier topics to the total number of topics and the similarity between topic definitions. The methodology has been assessed on a newly gathered corpus of scientific papers on literature-based discovery. Through rigorous evaluation by domain experts, AHAM has been validated as effective in uncovering intriguing and novel insights within broad research areas. We explore the impact of domain adaptation of sentence-transformers for the task of topic \textbf{model}ing using two datasets, each specialized to specific scientific domains within arXiv and medarxiv. We evaluate the impact of data size, the niche of adaptation, and the importance of domain adaptation. Our results suggest a strong interaction between domain adaptation and topic modeling precision in terms of outliers and topic definitions.

cs.CL

Drug Repurposing for COVID-19 via Knowledge Graph Completion

Objective: To discover candidate drugs to repurpose for COVID-19 using literature-derived knowledge and knowledge graph completion methods. Methods: We propose a novel, integrative, and neural network-based literature-based discovery (LBD) approach to identify drug candidates from both PubMed and COVID-19-focused research literature. Our approach relies on semantic triples extracted using SemRep (via SemMedDB). We identified an informative subset of semantic triples using filtering rules and an accuracy classifier developed on a BERT variant, and used this subset to construct a knowledge graph. Five SOTA, neural knowledge graph completion algorithms were used to predict drug repurposing candidates. The models were trained and assessed using a time slicing approach and the predicted drugs were compared with a list of drugs reported in the literature and evaluated in clinical trials. These models were complemented by a discovery pattern-based approach. Results: Accuracy classifier based on PubMedBERT achieved the best performance (F1= 0.854) in classifying semantic predications. Among five knowledge graph completion models, TransE outperformed others (MR = 0.923, Hits@1=0.417). Some known drugs linked to COVID-19 in the literature were identified, as well as some candidate drugs that have not yet been studied. Discovery patterns enabled generation of plausible hypotheses regarding the relationships between the candidate drugs and COVID-19. Among them, five highly ranked and novel drugs (paclitaxel, SB 203580, alpha 2-antiplasmin, pyrrolidine dithiocarbamate, and butylated hydroxytoluene) with their mechanistic explanations were further discussed. Conclusion: We show that an LBD approach can be feasible for discovering drug candidates for COVID-19, and for generating mechanistic explanations. Our approach can be generalized to other diseases as well as to other clinical questions.

cs.CL

Scientometric analysis and knowledge mapping of literature-based discovery (1986-2020)

Literature-based discovery (LBD) aims to discover valuable latent relationships between disparate sets of literatures. This paper presents the first inclusive scientometric overview of LBD research. We utilize a comprehensive scientometric approach incorporating CiteSpace to systematically analyze the literature on LBD from the last four decades (1986-2020). After manual cleaning, we have retrieved a total of 409 documents from six bibliographic databases and two preprint servers. The 35 years' history of LBD could be partitioned into three phases according to the published papers per year: incubation (1986-2003), developing (2004-2008), and mature phase (2009-2020). The annual production of publications follows Price's law. The co-authorship network exhibits many subnetworks, indicating that LBD research is composed of many small and medium-sized groups with little collaboration among them. Science mapping reveals that mainstream research in LBD has shifted from baseline co-occurrence approaches to semantic-based methods at the beginning of the new millennium. In the last decade, we can observe the leaning of LBD towards modern network science ideas. In an applied sense, the LBD is increasingly used in predicting adverse drug reactions and drug repurposing. Besides theoretical considerations, the researchers have put a lot of effort into the development of Web-based LBD applications. Nowadays, LBD is becoming increasingly interdisciplinary and involves methods from information science, scientometrics, and machine learning. Unfortunately, LBD is mainly limited to the biomedical domain. The cascading citation expansion announces deep learning and explainable artificial intelligence as emerging topics in LBD. The results indicate that LBD is still growing and evolving.

cs.DL

Is science driven by principal investigators?

In this paper we consider the scientific and career performance of principal investigators (PI's) of publicly funded research projects compared to scientific performance of all researchers. Our study is based on high quality data about (i) research projects awarded in Slovenia in the period 1994-2016 (7508 projects with 2725 PI's in total) and (ii) about scientific productivity of all researchers in Slovenia that were active in the period 1970-2016 - there are 19598 such researchers in total, including the PI's. We compare average productivity, collaboration, internationality and interdisciplinarity of PI's and of all active researchers. Our analysis shows that for all four indicators the average performance of PI's is much higher compared to average performance of all active researchers. Additionally, we analyze careers of both groups of researchers. The results show that the PI's have on average longer and more fruitful career compared to all active researchers, with regards to all career indicators. The PI's that have received a postdoc grant have at the beginning outstanding scientific performance, but later deviate towards average. On long run, the PI's leading the research programs (the most prestigious grants) on average demonstrate the best scientific performance. In the last part of the paper we study 23 co-authorship networks, spanned by all active researchers in the periods 1970-1994, ..., 1970-2016. We find out that they are well connected and that PI's are well distributed across these networks forming their backbones. Even more, PI's generate new PI's, since more than 90% of new PI's are connected (have at least one joint scientific publication) with existing PI's. We believe that our study sheds new light to the relations between the public funding of the science and the scientific output and can be considered as an affirmative answer to the question posed in the title.

cs.DL

Quantifying the consistency of scientific databases

Science is a social process with far-reaching impact on our modern society. In the recent years, for the first time we are able to scientifically study the science itself. This is enabled by massive amounts of data on scientific publications that is increasingly becoming available. The data is contained in several databases such as Web of Science or PubMed, maintained by various public and private entities. Unfortunately, these databases are not always consistent, which considerably hinders this study. Relying on the powerful framework of complex networks, we conduct a systematic analysis of the consistency among six major scientific databases. We found that identifying a single "best" database is far from easy. Nevertheless, our results indicate appreciable differences in mutual consistency of different databases, which we interpret as recipes for future bibliometric studies.

cs.DL

Rasch-based high-dimensionality data reduction and class prediction with applications to microarray gene expression data

Class prediction is an important application of microarray gene expression data analysis. The high-dimensionality of microarray data, where number of genes (variables) is very large compared to the number of samples (obser- vations), makes the application of many prediction techniques (e.g., logistic regression, discriminant analysis) difficult. An efficient way to solve this prob- lem is by using dimension reduction statistical techniques. Increasingly used in psychology-related applications, Rasch model (RM) provides an appealing framework for handling high-dimensional microarray data. In this paper, we study the potential of RM-based modeling in dimensionality reduction with binarized microarray gene expression data and investigate its prediction ac- curacy in the context of class prediction using linear discriminant analysis. Two different publicly available microarray data sets are used to illustrate a general framework of the approach. Performance of the proposed method is assessed by re-randomization scheme using principal component analysis (PCA) as a benchmark method. Our results show that RM-based dimension reduction is as effective as PCA-based dimension reduction. The method is general and can be applied to the other high-dimensional data problems.

cs.AI

Chi-square-based scoring function for categorization of MEDLINE citations

Objectives: Text categorization has been used in biomedical informatics for identifying documents containing relevant topics of interest. We developed a simple method that uses a chi-square-based scoring function to determine the likelihood of MEDLINE citations containing genetic relevant topic. Methods: Our procedure requires construction of a genetic and a nongenetic domain document corpus. We used MeSH descriptors assigned to MEDLINE citations for this categorization task. We compared frequencies of MeSH descriptors between two corpora applying chi-square test. A MeSH descriptor was considered to be a positive indicator if its relative observed frequency in the genetic domain corpus was greater than its relative observed frequency in the nongenetic domain corpus. The output of the proposed method is a list of scores for all the citations, with the highest score given to those citations containing MeSH descriptors typical for the genetic domain. Results: Validation was done on a set of 734 manually annotated MEDLINE citations. It achieved predictive accuracy of 0.87 with 0.69 recall and 0.64 precision. We evaluated the method by comparing it to three machine learning algorithms (support vector machines, decision trees, naïve Bayes). Although the differences were not statistically significantly different, results showed that our chi-square scoring performs as good as compared machine learning algorithms. Conclusions: We suggest that the chi-square scoring is an effective solution to help categorize MEDLINE citations. The algorithm is implemented in the BITOLA literature-based discovery support system as a preprocessor for gene symbol disambiguation process.

cs.IR