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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…

计算与语言 · 计算机科学 2025-05-15 Brandon Smith , Mohamed Reda Bouadjenek , Tahsin Alamgir Kheya , Phillip Dawson , Sunil Aryal

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…

人工智能 · 计算机科学 2020-06-18 Guangyi Zhang , Aristides Gionis

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…

计算机视觉与模式识别 · 计算机科学 2026-05-12 Manyu Li , Ruian He , Chenxi Ma , Weimin Tan , Bo Yan

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…

基因组学 · 定量生物学 2025-02-19 Wang Liang

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…

定量方法 · 定量生物学 2025-05-26 Huma Perveen , Julie Weeds

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…

声音 · 计算机科学 2018-10-23 Dan Stowell , Tereza Petrusková , Martin Šálek , Pavel Linhart

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…

数据结构与算法 · 计算机科学 2016-09-07 Asish Mukhopadhyay , Puspal Bhabak

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…

基因组学 · 定量生物学 2007-05-23 Yunfeng Shan

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…

分子网络 · 定量生物学 2026-05-14 Ondřej Huvar , Nikola Beneš , Martin Jonáš , David Šafránek , Samuel Pastva

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…

机器学习 · 计算机科学 2025-11-07 Jayadeva , Naman Dwivedi , Hari Krishnan , N. M. Anoop Krishnan

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…

编程语言 · 计算机科学 2014-08-13 James Cheney , Amal Ahmed , Umut A. Acar

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…

种群与进化 · 定量生物学 2024-08-13 Michael Celentano , William S. DeWitt , Sebastian Prillo , Yun S. Song

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.…

计算与语言 · 计算机科学 2025-12-16 Chunhua Liu , Kabir Manandhar Shrestha , Sukai Huang

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…

定量方法 · 定量生物学 2018-09-13 Anu Vazhayil , Vinayakumar R , Soman KP

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…

计算与语言 · 计算机科学 2024-04-01 Hao Wu , Fan Xu

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…

计算与语言 · 计算机科学 2026-01-05 Zhenyu Ding , Yuhao Wang , Tengyue Xiao , Haoying Wang , Caigui Jiang , Ning Ding

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…

种群与进化 · 定量生物学 2017-01-02 Peter J. Waddell

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…

机器学习 · 统计学 2021-05-31 Yaniv Tenzer , Amit Moscovich , Mary Frances Dorn , Boaz Nadler , Clifford Spiegelman
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