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One of the key challenges to predict odor from molecular structure is unarguably our limited understanding of the odor space and the complexity of the underlying structure-odor relationships. Here, we show that the predictive performance of…
Large Language Models (LLMs) represent a major step toward artificial general intelligence, significantly advancing our ability to interact with technology. While LLMs perform well on Natural Language Processing tasks -- such as…
While machine-learning models are flourishing and transforming many aspects of everyday life, the inability of humans to understand complex models poses difficulties for these models to be fully trusted and embraced. Thus, interpretability…
Multimodal large language models (MLLMs) show remarkable potential for scientific reasoning, yet their performance in specialized domains such as microscopy remains limited by the scarcity of domain-specific training data and the difficulty…
In recent years, large language models (LLMs) have achieved state-of-the-art results in various biological sequence analysis tasks, such as sequence classification, structure prediction, and function prediction. Similar to advancements in…
Purpose: This study aimed to enhance protein sequence classification using natural language processing (NLP) techniques while addressing the impact of sequence similarity on model performance. We compared various machine learning and deep…
Many animals emit vocal sounds which, independently from the sounds' function, embed some individually-distinctive signature. Thus the automatic recognition of individuals by sound is a potentially powerful tool for zoology and ecology…
Phylogenetic trees are leaf-labelled trees, where the leaves correspond to extant species (taxa), and the internal vertices represent ancestral species. The evolutionary history of a set of species can be explained by more than one…
36 single genes of six plants inferred 18 unique trees using maximum parsimony. Such incongruence is an important issue and how to reconstruct the congruent tree still is one of the most challenges in molecular phylogenetics. For resolving…
Qualitative models provide crucial instruments for modelling complex biological systems. While advances in automated reasoning and symbolic encodings have enabled rigorous inference of these models from data, the process remains highly…
A formal link between regression and classification has been tenuous. Even though the margin maximization term $\|w\|$ is used in support vector regression, it has at best been justified as a regularizer. We show that a regression problem…
Provenance for database queries or scientific workflows is often motivated as providing explanation, increasing understanding of the underlying data sources and processes used to compute the query, and reproducibility, the capability to…
Many biological studies involve inferring the evolutionary history of a sample of individuals from a large population and interpreting the reconstructed tree. Such an ascertained tree typically represents only a small part of a…
Large language models (LLMs) exhibit cultural bias from overrepresented viewpoints in training data, yet cultural alignment remains a challenge due to limited cultural knowledge and a lack of exploration into effective learning approaches.…
The knowledge regarding the function of proteins is necessary as it gives a clear picture of biological processes. Nevertheless, there are many protein sequences found and added to the databases but lacks functional annotation. The…
Building natural language interfaces typically uses a semantic parser to parse the user's natural language and convert it into structured \textbf{S}emantic \textbf{L}ogic \textbf{F}orms (SLFs). The mainstream approach is to adopt a…
Large Language Models (LLMs) demonstrate impressive capabilities, yet their outputs often suffer from misalignment with human preferences due to the inadequacy of weak supervision and a lack of fine-grained control. Training-time alignment…
In this research endeavor, it was hypothesized that the sound produced by animals during their vocalizations can be used as identifiers of the animal breed or species even if they sound the same to unaided human ear. To test this…
Estimating the phylogeny of the genus Homo is entering a new phase of vastly improved data and methodology. There is increasing evidence of 6 to 10 competing species/lineages at any point in the last half million years, making the…
Several classification methods assume that the underlying distributions follow tree-structured graphical models. Indeed, trees capture statistical dependencies between pairs of variables, which may be crucial to attain low classification…