id
string
sources
list
title
string
abstract
string
authors
list
categories
list
fields_of_study
list
published_date
timestamp[s]
url
string
pdf_url
string
arxiv_id
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float64
b4f1f40ac7272d1fd17b698fe4612591ab417a616b32ec1851b903e1c36dd0ea
[ "arxiv", "semantic_scholar" ]
DS-ProGen: A Dual-Structure Deep Language Model for Functional Protein Design
Inverse Protein Folding (IPF) is a critical subtask in the field of protein design, aiming to engineer amino acid sequences capable of folding correctly into a specified three-dimensional (3D) conformation. Although substantial progress has been achieved in recent years, existing methods generally rely on either backbo...
[ "Yanting Li", "Jiyue Jiang", "Zikang Wang", "Ziqian Lin", "Dongchen He", "Yuheng Shan", "Yanruisheng Shao", "Jiayi Li", "Xiangyu Shi", "Jiuming Wang", "Yanyu Chen", "Yimin Fan", "Han Li", "Yu Li" ]
[ "cs.CL" ]
[ "Computer Science" ]
2025-05-18T00:00:00
https://arxiv.org/abs/2505.12511
https://arxiv.org/pdf/2505.12511v1
2505.12511
10.48550/arXiv.2505.12511
4
0
false
null
arXiv.org
0.1747
837c900713503c342909a2496f3460510a79040724d12115c9b6b73d0b594224
[ "arxiv", "semantic_scholar" ]
mCLM: A Modular Chemical Language Model that Generates Functional and Makeable Molecules
Despite their ability to understand chemical knowledge, large language models (LLMs) remain limited in their capacity to propose novel molecules with desired functions (e.g., drug-like properties). In addition, the molecules that LLMs propose can often be challenging to make, and are almost never compatible with automa...
[ "Carl Edwards", "Chi Han", "Gawon Lee", "Thao Nguyen", "Sara Szymkuć", "Chetan Kumar Prasad", "Bowen Jin", "Jiawei Han", "Ying Diao", "Ge Liu", "Hao Peng", "Bartosz A. Grzybowski", "Martin D. Burke", "Heng Ji" ]
[ "cs.AI", "cs.CL", "cs.LG", "q-bio.QM" ]
[ "Computer Science", "Biology" ]
2025-05-18T00:00:00
https://arxiv.org/abs/2505.12565
https://arxiv.org/pdf/2505.12565v3
2505.12565
null
3
0
true
https://github.com/blender-nlp/mCLM
null
0.1936
7b2dd90cd28ccae9661abea23df5c16eede0bda264c9f056c1b7bd2df7ae5146
[ "arxiv", "semantic_scholar" ]
Retrospex: Language Agent Meets Offline Reinforcement Learning Critic
Large Language Models (LLMs) possess extensive knowledge and commonsense reasoning capabilities, making them valuable for creating powerful agents. However, existing LLM agent frameworks have not fully utilized past experiences for improvement. This work introduces a new LLM-based agent framework called Retrospex, whic...
[ "Yufei Xiang", "Yiqun Shen", "Yeqin Zhang", "Cam-Tu Nguyen" ]
[ "cs.CL", "cs.AI" ]
[ "Computer Science" ]
2025-05-17T00:00:00
https://arxiv.org/abs/2505.11807
https://arxiv.org/pdf/2505.11807v2
2505.11807
10.18653/v1/2024.emnlp-main.268
10
1
false
null
Conference on Empirical Methods in Natural Language Processing
0.2603
e1b1e22412cee9a8413633521fbc8924a00879cae51fd11404dee29ec89e416c
[ "arxiv", "semantic_scholar" ]
Prot2Text-V2: Protein Function Prediction with Multimodal Contrastive Alignment
Predicting protein function from sequence is a central challenge in computational biology. While existing methods rely heavily on structured ontologies or similarity-based techniques, they often lack the flexibility to express structure-free functional descriptions and novel biological functions. In this work, we intro...
[ "Xiao Fei", "Michail Chatzianastasis", "Sarah Almeida Carneiro", "Hadi Abdine", "Lawrence P. Petalidis", "Michalis Vazirgiannis" ]
[ "cs.CE" ]
[ "Computer Science" ]
2025-05-16T00:00:00
https://arxiv.org/abs/2505.11194
https://arxiv.org/pdf/2505.11194v3
2505.11194
10.48550/arXiv.2505.11194
9
1
false
null
arXiv.org
0.25
27c49389010ae89a0d9358f1a30f7dee6c74f0893247838e9b585bbe6ce043c9
[ "arxiv", "semantic_scholar" ]
PSBench: a large-scale benchmark for estimating the accuracy of protein complex structural models
Predicting protein complex structures is essential for protein function analysis, protein design, and drug discovery. While AI methods like AlphaFold can predict accurate structural models for many protein complexes, reliably estimating the quality of these predicted models (estimation of model accuracy, or EMA) for mo...
[ "Pawan Neupane", "Jian Liu", "Jianlin Cheng" ]
[ "q-bio.BM", "cs.AI", "cs.LG" ]
[ "Biology", "Computer Science" ]
2025-05-13T00:00:00
https://arxiv.org/abs/2505.22674
https://arxiv.org/pdf/2505.22674v1
2505.22674
10.48550/arXiv.2505.22674
1
0
true
https://github.com/BioinfoMachineLearning/PSBench
arXiv.org
0.2444
2cdebf922251b59288caffdb14c04ce3766d093edb67b5d8c93dd5f967c3e151
[ "arxiv", "semantic_scholar" ]
Protein FID: Improved Evaluation of Protein Structure Generative Models
Protein structure generative models have seen a recent surge of interest, but meaningfully evaluating them computationally is an active area of research. While current metrics have driven useful progress, they do not capture how well models sample the design space represented by the training data. We argue for a protei...
[ "Felix Faltings", "Hannes Stark", "Tommi Jaakkola", "Regina Barzilay" ]
[ "q-bio.BM" ]
[ "Biology", "Computer Science", "Medicine" ]
2025-05-12T00:00:00
https://arxiv.org/abs/2505.08041
https://arxiv.org/pdf/2505.08041v3
2505.08041
10.1093/bioinformatics/btag156
4
1
false
null
null
0.1747
636824137d738d7ae15462c9e0dd66a83ebc33e7bfefa785d71b8644117cfd5f
[ "arxiv", "semantic_scholar" ]
LightNobel: Improving Sequence Length Limitation in Protein Structure Prediction Model via Adaptive Activation Quantization
Recent advances in Protein Structure Prediction Models (PPMs), such as AlphaFold2 and ESMFold, have revolutionized computational biology by achieving unprecedented accuracy in predicting three-dimensional protein folding structures. However, these models face significant scalability challenges, particularly when proces...
[ "Seunghee Han", "Soongyu Choi", "Joo-Young Kim" ]
[ "cs.AR", "cs.AI", "cs.ET", "cs.LG", "q-bio.BM" ]
[ "Computer Science", "Biology" ]
2025-05-09T00:00:00
https://arxiv.org/abs/2505.05893
https://arxiv.org/pdf/2505.05893v1
2505.05893
10.1145/3695053.3731006
1
0
false
null
International Symposium on Computer Architecture
0.1535
963314eb269d2e2345cc092199d74b33dedf6d3c4c887720ce0cda7a84e163de
[ "arxiv", "semantic_scholar" ]
Exploring zero-shot structure-based protein fitness prediction
The ability to make zero-shot predictions about the fitness consequences of protein sequence changes with pre-trained machine learning models enables many practical applications. Such models can be applied for downstream tasks like genetic variant interpretation and protein engineering without additional labeled data. ...
[ "Arnav Sharma", "Anthony Gitter" ]
[ "q-bio.QM", "cs.LG", "q-bio.BM" ]
[ "Computer Science", "Biology" ]
2025-04-23T00:00:00
https://arxiv.org/abs/2504.16886
https://arxiv.org/pdf/2504.16886v1
2504.16886
10.48550/arXiv.2504.16886
4
0
false
null
arXiv.org
0.1747
afb2322ea7aa59d0c4f288dfa2b5fb493ab895304f81da54185830317f4f52af
[ "arxiv", "semantic_scholar" ]
Enhancing TCR-Peptide Interaction Prediction with Pretrained Language Models and Molecular Representations
Understanding the binding specificity between T-cell receptors (TCRs) and peptide-major histocompatibility complexes (pMHCs) is central to immunotherapy and vaccine development. However, current predictive models struggle with generalization, especially in data-scarce settings and when faced with novel epitopes. We pre...
[ "Cong Qi", "Hanzhang Fang", "Siqi jiang", "Tianxing Hu", "Zhi Wei" ]
[ "q-bio.QM", "cs.CL", "cs.LG" ]
[ "Computer Science", "Biology" ]
2025-04-22T00:00:00
https://arxiv.org/abs/2505.01433
https://arxiv.org/pdf/2505.01433v2
2505.01433
10.48550/arXiv.2505.01433
4
0
false
null
arXiv.org
0.1747
75270270ab32be2b14b2ff55d3516cf071c37a467a2ab403066bf3438e31726f
[ "arxiv", "semantic_scholar" ]
Hierarchical protein backbone generation with latent and structure diffusion
We propose a hierarchical protein backbone generative model that separates coarse and fine-grained details. Our approach called LSD consists of two stages: sampling latents which are decoded into a contact map then sampling atomic coordinates conditioned on the contact map. LSD allows new ways to control protein genera...
[ "Jason Yim", "Marouane Jaakik", "Ge Liu", "Jacob Gershon", "Karsten Kreis", "David Baker", "Regina Barzilay", "Tommi Jaakkola" ]
[ "q-bio.QM" ]
[ "Biology" ]
2025-04-12T00:00:00
https://arxiv.org/abs/2504.09374
https://arxiv.org/pdf/2504.09374v1
2504.09374
null
4
0
false
null
null
0.1747
8dc4b056fbf6a1bbda231b1dc003278466b3ab62865895f7e996e7f222d9786d
[ "arxiv", "semantic_scholar" ]
Mass Balance Approximation of Unfolding Improves Potential-Like Methods for Protein Stability Predictions
The prediction of protein stability changes following single-point mutations plays a pivotal role in computational biology, particularly in areas like drug discovery, enzyme reengineering, and genetic disease analysis. Although deep-learning strategies have pushed the field forward, their use in standard workflows rema...
[ "Ivan Rossi", "Guido Barducci", "Tiziana Sanavia", "Paola Turina", "Emidio Capriotti", "Piero Fariselli" ]
[ "q-bio.QM", "cs.LG", "physics.bio-ph" ]
[ "Biology", "Computer Science", "Physics", "Medicine" ]
2025-04-09T00:00:00
https://arxiv.org/abs/2504.06806
https://arxiv.org/pdf/2504.06806v1
2504.06806
10.1002/pro.70134
1
0
false
null
Protein Science
0.1192
cf49baa7e01ca56e39ecab9e8c4683189ad5647e6b551ac4b3e5f51fa7481ced
[ "arxiv", "semantic_scholar" ]
Prot42: a Novel Family of Protein Language Models for Target-aware Protein Binder Generation
Unlocking the next generation of biotechnology and therapeutic innovation demands overcoming the inherent complexity and resource-intensity of conventional protein engineering methods. Recent GenAI-powered computational techniques often rely on the availability of the target protein's 3D structures and specific binding...
[ "Mohammad Amaan Sayeed", "Engin Tekin", "Maryam Nadeem", "Nancy A. ElNaker", "Aahan Singh", "Natalia Vassilieva", "Boulbaba Ben Amor" ]
[ "q-bio.BM", "cs.AI", "cs.CL", "cs.LG" ]
[ "Computer Science", "Biology" ]
2025-04-06T00:00:00
https://arxiv.org/abs/2504.04453
https://arxiv.org/pdf/2504.04453v2
2504.04453
10.48550/arXiv.2504.04453
4
0
false
null
arXiv.org
0.1747
a566ce5dae25c97202c197812ccae9b125ad068153ce9c3796f70307a2cb94c9
[ "arxiv", "semantic_scholar" ]
Redefining technology for indigenous languages
In this paper, we offer an overview of indigenous languages, identifying the causes of their devaluation and the need for legislation on language rights. We review the technologies used to revitalize these languages, finding that when they come from outside, they often have the opposite effect to what they seek; howeve...
[ "Silvia Fernandez-Sabido", "Laura Peniche-Sabido" ]
[ "cs.CY", "cs.AI", "cs.CL" ]
[ "Computer Science" ]
2025-04-02T00:00:00
https://arxiv.org/abs/2504.01522
https://arxiv.org/pdf/2504.01522v1
2504.01522
10.48550/arXiv.2504.01522
2
0
false
null
arXiv.org
0.1193
03f8a851f506dedca933fb4e1b20645ea38a071300e5ac23e7c47c55efd07ff2
[ "arxiv", "semantic_scholar" ]
Deep Learning-Driven Protein Structure Prediction and Design: Key Model Developments by Nobel Laureates and Multi-Domain Applications
This systematic review outlines pivotal advancements in deep learning-driven protein structure prediction and design, focusing on four core models-AlphaFold, RoseTTAFold, RFDiffusion, and ProteinMPNN-developed by 2024 Nobel Laureates in Chemistry: David Baker, Demis Hassabis, and John Jumper. We analyze their technolog...
[ "Wanqing Yang", "Yanwei Wang", "Yang Wang" ]
[ "physics.bio-ph" ]
[ "Physics" ]
2025-04-02T00:00:00
https://arxiv.org/abs/2504.01490
https://arxiv.org/pdf/2504.01490v1
2504.01490
10.1063/5.0273394
3
0
false
null
Biophysical Reviews
0.1505
d9dda0d443c7e8c9b1fd997dd66d9fc005c470f956501cccbc1ab88d0c3ff2ff
[ "arxiv", "semantic_scholar" ]
Whisper-LM: Improving ASR Models with Language Models for Low-Resource Languages
Automatic speech recognition systems have undoubtedly advanced with the integration of multilingual and multitask models such as Whisper, which have shown a promising ability to understand and process speech across a wide range of languages. Despite their robustness, these models often fall short in handling the lingui...
[ "Xabier de Zuazo", "Eva Navas", "Ibon Saratxaga", "Inma Hernáez Rioja" ]
[ "cs.CL" ]
[ "Computer Science" ]
2025-03-30T00:00:00
https://arxiv.org/abs/2503.23542
https://arxiv.org/pdf/2503.23542v1
2503.23542
10.48550/arXiv.2503.23542
7
1
true
null
arXiv.org
0.2258
2c472c1f645ae9baaf258fcc8b6eb9a6704e65ff6d17c8d26451f35fa9426f53
[ "arxiv", "semantic_scholar" ]
MSNGO: multi-species protein function annotation based on 3D protein structure and network propagation
Motivation: In recent years, protein function prediction has broken through the bottleneck of sequence features, significantly improving prediction accuracy using high-precision protein structures predicted by AlphaFold2. While single-species protein function prediction methods have achieved remarkable success, multi-s...
[ "Beibei Wang", "Boyue Cui", "Shiqu Chen", "Xuan Wang", "Yadong Wang", "Junyi Li" ]
[ "cs.LG", "cs.AI" ]
[ "Computer Science", "Medicine" ]
2025-03-29T00:00:00
https://arxiv.org/abs/2503.23014
https://arxiv.org/pdf/2503.23014v1
2503.23014
10.1093/bioinformatics/btaf285
1
0
true
https://github.com/blingbell/MSNGO
null
0.1259
821ee1cc8c1434c0619135bd61b4214eefca6e79fc953982a09c82e1b173ebe5
[ "arxiv", "semantic_scholar" ]
How do language models learn facts? Dynamics, curricula and hallucinations
Large language models accumulate vast knowledge during pre-training, yet the dynamics governing this acquisition remain poorly understood. This work investigates the learning dynamics of language models on a synthetic factual recall task, uncovering three key findings: First, language models learn in three phases, exhi...
[ "Nicolas Zucchet", "Jörg Bornschein", "Stephanie Chan", "Andrew Lampinen", "Razvan Pascanu", "Soham De" ]
[ "cs.CL", "cs.LG" ]
[ "Computer Science" ]
2025-03-27T00:00:00
https://arxiv.org/abs/2503.21676
https://arxiv.org/pdf/2503.21676v2
2503.21676
10.48550/arXiv.2503.21676
28
2
false
null
arXiv.org
0.3656
46e883a42cd3cdb7d791ac0bd1deebc82bf982ca0ed7d7c85179075a058e2e8f
[ "arxiv", "semantic_scholar" ]
Untangling the Influence of Typology, Data and Model Architecture on Ranking Transfer Languages for Cross-Lingual POS Tagging
Cross-lingual transfer learning is an invaluable tool for overcoming data scarcity, yet selecting a suitable transfer language remains a challenge. The precise roles of linguistic typology, training data, and model architecture in transfer language choice are not fully understood. We take a holistic approach, examining...
[ "Enora Rice", "Ali Marashian", "Hannah Haynie", "Katharina von der Wense", "Alexis Palmer" ]
[ "cs.CL" ]
[ "Computer Science" ]
2025-03-25T00:00:00
https://arxiv.org/abs/2503.19979
https://arxiv.org/pdf/2503.19979v1
2503.19979
10.48550/arXiv.2503.19979
7
0
false
null
null
0.2258
7b708d8632039afac42213ec7243fceb22274a35056a7e71111d31960962e839
[ "arxiv", "semantic_scholar" ]
An Energy-Adaptive Elastic Equivariant Transformer Framework for Protein Structure Representation
Structure-informed protein representation learning is essential for effective protein function annotation and \textit{de novo} design. However, the presence of inherent noise in both crystal and AlphaFold-predicted structures poses significant challenges for existing methods in learning robust protein representations. ...
[ "Zhongyue Zhang", "Runze Ma", "Yanjie Huang", "Shuangjia Zheng" ]
[ "q-bio.BM" ]
[ "Biology" ]
2025-03-21T00:00:00
https://arxiv.org/abs/2503.16996
https://arxiv.org/pdf/2503.16996v2
2503.16996
null
0
0
false
null
null
0.062
59f4bbaec903b04997379e7c6962630592cadb7609ec8f637c98c9cdca814ba2
[ "arxiv", "semantic_scholar" ]
VenusFactory: A Unified Platform for Protein Engineering Data Retrieval and Language Model Fine-Tuning
Natural language processing (NLP) has significantly influenced scientific domains beyond human language, including protein engineering, where pre-trained protein language models (PLMs) have demonstrated remarkable success. However, interdisciplinary adoption remains limited due to challenges in data collection, task be...
[ "Yang Tan", "Chen Liu", "Jingyuan Gao", "Banghao Wu", "Mingchen Li", "Ruilin Wang", "Lingrong Zhang", "Huiqun Yu", "Guisheng Fan", "Liang Hong", "Bingxin Zhou" ]
[ "cs.CL", "cs.AI", "q-bio.QM" ]
[ "Computer Science", "Biology" ]
2025-03-19T00:00:00
https://arxiv.org/abs/2503.15438
https://arxiv.org/pdf/2503.15438v1
2503.15438
10.48550/arXiv.2503.15438
6
1
true
https://github.com/tyang816/VenusFactory
arXiv.org
0.2113
3ae3f6a8ba9678a64763fe7a464165efc46ea6963da15dad7541f6b2b6f2c495
[ "arxiv", "semantic_scholar" ]
Advanced Deep Learning Methods for Protein Structure Prediction and Design
After AlphaFold won the Nobel Prize, protein prediction with deep learning once again became a hot topic. We comprehensively explore advanced deep learning methods applied to protein structure prediction and design. It begins by examining recent innovations in prediction architectures, with detailed discussions on impr...
[ "Yichao Zhang", "Ningyuan Deng", "Xinyuan Song", "Ziqian Bi", "Tianyang Wang", "Zheyu Yao", "Keyu Chen", "Ming Li", "Qian Niu", "Junyu Liu", "Benji Peng", "Sen Zhang", "Ming Liu", "Li Zhang", "Xuanhe Pan", "Jinlang Wang", "Pohsun Feng", "Yizhu Wen", "Lawrence KQ Yan", "Hongming...
[ "q-bio.BM", "cs.AI", "cs.LG" ]
[ "Computer Science", "Biology" ]
2025-03-14T00:00:00
https://arxiv.org/abs/2503.13522
https://arxiv.org/pdf/2503.13522v3
2503.13522
10.48550/arXiv.2503.13522
2
0
true
null
arXiv.org
0.1381
19c8074f67488059ca22bb2e779f4ef7effcc8b0d3b7258dcbbd97f6e94c326e
[ "arxiv", "semantic_scholar" ]
Towards Interpretable Protein Structure Prediction with Sparse Autoencoders
Protein language models have revolutionized structure prediction, but their nonlinear nature obscures how sequence representations inform structure prediction. While sparse autoencoders (SAEs) offer a path to interpretability here by learning linear representations in high-dimensional space, their application has been ...
[ "Nithin Parsan", "David J. Yang", "John J. Yang" ]
[ "q-bio.BM", "cs.AI", "cs.LG" ]
[ "Biology", "Computer Science" ]
2025-03-11T00:00:00
https://arxiv.org/abs/2503.08764
https://arxiv.org/pdf/2503.08764v1
2503.08764
10.48550/arXiv.2503.08764
15
1
true
https://github.com/johnyang101/reticular-sae
arXiv.org
0.301
3d3148436e5150410021c3e184caafa9fefe69fe0c965813f99217391bf5e7ed
[ "arxiv", "semantic_scholar" ]
ProtTeX: Structure-In-Context Reasoning and Editing of Proteins with Large Language Models
Large language models have made remarkable progress in the field of molecular science, particularly in understanding and generating functional small molecules. This success is largely attributed to the effectiveness of molecular tokenization strategies. In protein science, the amino acid sequence serves as the sole tok...
[ "Zicheng Ma", "Chuanliu Fan", "Zhicong Wang", "Zhenyu Chen", "Xiaohan Lin", "Yanheng Li", "Shihao Feng", "Jun Zhang", "Ziqiang Cao", "Yi Qin Gao" ]
[ "q-bio.BM", "cs.AI" ]
[ "Biology", "Computer Science", "Medicine" ]
2025-03-11T00:00:00
https://arxiv.org/abs/2503.08179
https://arxiv.org/pdf/2503.08179v3
2503.08179
10.48550/arXiv.2503.08179
10
1
false
null
Journal of Chemical Information and Modeling
0.2603
af6b3da96db957f1cc1265a17d0210b40420b126272cf9bc88edbdf32599fd9f
[ "arxiv", "semantic_scholar" ]
Gender Encoding Patterns in Pretrained Language Model Representations
Gender bias in pretrained language models (PLMs) poses significant social and ethical challenges. Despite growing awareness, there is a lack of comprehensive investigation into how different models internally represent and propagate such biases. This study adopts an information-theoretic approach to analyze how gender ...
[ "Mahdi Zakizadeh", "Mohammad Taher Pilehvar" ]
[ "cs.CL", "cs.AI" ]
[ "Computer Science" ]
2025-03-09T00:00:00
https://arxiv.org/abs/2503.06734
https://arxiv.org/pdf/2503.06734v1
2503.06734
10.48550/arXiv.2503.06734
2
0
false
null
null
0.1193
48d57fb56749f8d7d348ccefc4445bf2303b6182678776f09bd86f4951deaa38
[ "arxiv", "semantic_scholar" ]
From Language to Cognition: How LLMs Outgrow the Human Language Network
Large language models (LLMs) exhibit remarkable similarity to neural activity in the human language network. However, the key properties of language shaping brain-like representations, and their evolution during training as a function of different tasks remain unclear. We here benchmark 34 training checkpoints spanning...
[ "Badr AlKhamissi", "Greta Tuckute", "Yingtian Tang", "Taha Binhuraib", "Antoine Bosselut", "Martin Schrimpf" ]
[ "cs.CL" ]
[ "Computer Science" ]
2025-03-03T00:00:00
https://arxiv.org/abs/2503.01830
https://arxiv.org/pdf/2503.01830v2
2503.01830
10.48550/arXiv.2503.01830
29
2
false
null
Conference on Empirical Methods in Natural Language Processing
0.3693
dc937d0a4a60d2a361e8c99f76ba5189942868d2bcbe1c0787a63ca623416e48
[ "arxiv", "semantic_scholar" ]
A Model-Centric Review of Deep Learning for Protein Design
Deep learning has transformed protein design, enabling accurate structure prediction, sequence optimization, and de novo protein generation. Advances in single-chain protein structure prediction via AlphaFold2, RoseTTAFold, ESMFold, and others have achieved near-experimental accuracy, inspiring successive work extended...
[ "Gregory W. Kyro", "Tianyin Qiu", "Victor S. Batista" ]
[ "cs.LG", "q-bio.BM" ]
[ "Computer Science", "Biology" ]
2025-02-26T00:00:00
https://arxiv.org/abs/2502.19173
https://arxiv.org/pdf/2502.19173v1
2502.19173
10.48550/arXiv.2502.19173
12
0
false
null
arXiv.org
0.2785
70dfd15729b117583b73dad0dd580ae0bb543c2d623a4a54320969cec05a512d
[ "arxiv", "semantic_scholar" ]
Leveraging Retrieval-Augmented Generation and Large Language Models to Predict SERCA-Binding Protein Fragments from Cardiac Proteomics Data
Large language models (LLMs) have shown promise in various natural language processing tasks, including their application to proteomics data to classify protein fragments. In this study, we curated a limited mass spectrometry dataset with 1000s of protein fragments, consisting of proteins that appear to be attached to ...
[ "Taylor A Phillips", "Alejandro W. Huskey", "Patrick T. Huskey", "Seth L. Robia", "Peter M. Kekenes-Huskey" ]
[ "q-bio.QM" ]
[ "Biology" ]
2025-02-26T00:00:00
https://arxiv.org/abs/2502.19574
https://arxiv.org/pdf/2502.19574v1
2502.19574
null
1
0
true
null
null
0.084
5d813b5a99a83d09a8b8d3effc7cb7748c20890f0a3ad61a59fce3f71ca789b0
[ "arxiv", "semantic_scholar" ]
Characterizing the Conformational States of G Protein Coupled Receptors Generated with AlphaFold
G-Protein Coupled Receptors (GPCRs) are integral to numerous physiological processes and are the target of approximately one-third of FDA-approved therapeutics. Despite their significance, only a limited subset of GPCRs has been successfully targeted, primarily due to challenges in accurately modeling their structures....
[ "Garima Chib", "Parisa Mollaei", "Amir Barati Farimani" ]
[ "q-bio.QM", "q-bio.BM" ]
[ "Biology" ]
2025-02-24T00:00:00
https://arxiv.org/abs/2502.17628
https://arxiv.org/pdf/2502.17628v1
2502.17628
null
0
0
false
null
null
0.0437
b9ff0a826e0448f586a091edd2a03eed75009cc0bb3434384fca57ab279a9545
[ "arxiv", "semantic_scholar" ]
Child vs. machine language learning: Can the logical structure of human language unleash LLMs?
We argue that human language learning proceeds in a manner that is different in nature from current approaches to training LLMs, predicting a difference in learning biases. We then present evidence from German plural formation by LLMs that confirm our hypothesis that even very powerful implementations produce results t...
[ "Uli Sauerland", "Celia Matthaei", "Felix Salfner" ]
[ "cs.CL", "cs.AI" ]
[ "Computer Science" ]
2025-02-24T00:00:00
https://arxiv.org/abs/2502.17304
https://arxiv.org/pdf/2502.17304v1
2502.17304
10.48550/arXiv.2502.17304
0
0
false
null
arXiv.org
0.0688
3dbcaca3b663964b2875a938c8fb7a7fd322666f34bf7e758bf43ffc45fdedfe
[ "arxiv", "semantic_scholar" ]
Integrating protein sequence embeddings with structure via graph-based deep learning for single-residue property prediction
Understanding the intertwined contributions of amino acid sequence and spatial structure is essential to explain protein behaviour. Here, we introduce INFUSSE (Integrated Network Framework Unifying Structure and Sequence Embeddings), a deep learning framework for the prediction of single-residue properties that combine...
[ "Kevin Michalewicz", "Mauricio Barahona", "Barbara Bravi" ]
[ "q-bio.QM" ]
[ "Biology" ]
2025-02-24T00:00:00
https://arxiv.org/abs/2502.17294
https://arxiv.org/pdf/2502.17294v2
2502.17294
null
0
0
false
null
null
0.0437
57eb5718bd228be3ae7fe6d939adc909a22da46c9679fb5e436307041341ca43
[ "arxiv", "semantic_scholar" ]
Protein Large Language Models: A Comprehensive Survey
Protein-specific large language models (Protein LLMs) are revolutionizing protein science by enabling more efficient protein structure prediction, function annotation, and design. While existing surveys focus on specific aspects or applications, this work provides the first comprehensive overview of Protein LLMs, cover...
[ "Yijia Xiao", "Wanjia Zhao", "Junkai Zhang", "Yiqiao Jin", "Han Zhang", "Zhicheng Ren", "Renliang Sun", "Haixin Wang", "Guancheng Wan", "Pan Lu", "Xiao Luo", "Yu Zhang", "James Zou", "Yizhou Sun", "Wei Wang" ]
[ "q-bio.BM", "cs.AI", "cs.CE", "cs.CL", "cs.LG" ]
[ "Biology", "Computer Science" ]
2025-02-21T00:00:00
https://arxiv.org/abs/2502.17504
https://arxiv.org/pdf/2502.17504v2
2502.17504
10.48550/arXiv.2502.17504
40
1
true
https://github.com/Yijia-Xiao/Protein-LLM-Survey
Conference on Empirical Methods in Natural Language Processing
0.4032
47af00d253c454e73ea820d1c675775dd8d636666e4301d3ffd42a403be0e5f8
[ "arxiv", "semantic_scholar" ]
Interpreting and Steering Protein Language Models through Sparse Autoencoders
The rapid advancements in transformer-based language models have revolutionized natural language processing, yet understanding the internal mechanisms of these models remains a significant challenge. This paper explores the application of sparse autoencoders (SAE) to interpret the internal representations of protein la...
[ "Edith Natalia Villegas Garcia", "Alessio Ansuini" ]
[ "cs.LG", "q-bio.BM" ]
[ "Computer Science", "Biology" ]
2025-02-13T00:00:00
https://arxiv.org/abs/2502.09135
https://arxiv.org/pdf/2502.09135v1
2502.09135
10.48550/arXiv.2502.09135
18
1
false
null
arXiv.org
0.3197
303e165c21d27a6a599a70ab6c36e4557e3b68d86517fa79ac2c0d6d7d1ac78d
[ "arxiv", "semantic_scholar" ]
Uncertainty-Aware Adaptation of Large Language Models for Protein-Protein Interaction Analysis
Identification of protein-protein interactions (PPIs) helps derive cellular mechanistic understanding, particularly in the context of complex conditions such as neurodegenerative disorders, metabolic syndromes, and cancer. Large Language Models (LLMs) have demonstrated remarkable potential in predicting protein structu...
[ "Sanket Jantre", "Tianle Wang", "Gilchan Park", "Kriti Chopra", "Nicholas Jeon", "Xiaoning Qian", "Nathan M. Urban", "Byung-Jun Yoon" ]
[ "cs.LG", "cs.AI", "cs.CL", "stat.AP", "stat.ML" ]
[ "Medicine", "Computer Science", "Mathematics" ]
2025-02-10T00:00:00
https://arxiv.org/abs/2502.06173
https://arxiv.org/pdf/2502.06173v2
2502.06173
10.1109/EMBC58623.2025.11253873
1
0
false
null
Annual International Conference of the IEEE Engineering in Medicine and Biology Society
0.0753
f6d8325db398dd74e2aaab8e9293ccd99b25345344d529d358a9ec3b23e0b94c
[ "arxiv", "semantic_scholar" ]
PyMOLfold: Interactive Protein and Ligand Structure Prediction in PyMOL
PyMOLfold is a flexible and open-source plugin designed to seamlessly integrate AI-based protein structure prediction and visualization within the widely used PyMOL molecular graphics system. By leveraging state-of-the-art protein folding models such as ESM3, Boltz-1, and Chai-1, PyMOLfold allows researchers to directl...
[ "Colby T. Ford", "Samee Ullah", "Dinler Amaral Antunes", "Tarsis Gesteira Ferreira" ]
[ "q-bio.BM" ]
[ "Biology" ]
2025-02-01T00:00:00
https://arxiv.org/abs/2502.00508
https://arxiv.org/pdf/2502.00508v1
2502.00508
null
2
0
true
https://github.com/colbyford/PyMolfold
null
0.1193
4a4d7b6fd4fc3a9eab506e5a36c5e0b4c2118d693b368b31118bd64a232403ba
[ "arxiv", "semantic_scholar" ]
Exploring Large Protein Language Models in Constrained Evaluation Scenarios within the FLIP Benchmark
In this study, we expand upon the FLIP benchmark-designed for evaluating protein fitness prediction models in small, specialized prediction tasks-by assessing the performance of state-of-the-art large protein language models, including ESM-2 and SaProt on the FLIP dataset. Unlike larger, more diverse benchmarks such as...
[ "Manuel F. Mollon", "Joaquin Gonzalez-Rodriguez", "Alicia Lozano-Diez", "Daniel Ramos", "Doroteo T. Toledano" ]
[ "cs.LG", "cs.AI" ]
[ "Computer Science" ]
2025-01-30T00:00:00
https://arxiv.org/abs/2501.18223
https://arxiv.org/pdf/2501.18223v1
2501.18223
10.48550/arXiv.2501.18223
0
0
false
null
arXiv.org
0.0401
b0e5d7d993174bcfb1cebdeb9d1689de3e86842c878846de1a6d539b68217f7e
[ "arxiv", "semantic_scholar" ]
Computational Protein Science in the Era of Large Language Models (LLMs)
Considering the significance of proteins, computational protein science has always been a critical scientific field, dedicated to revealing knowledge and developing applications within the protein sequence-structure-function paradigm. In the last few decades, Artificial Intelligence (AI) has made significant impacts in...
[ "Wenqi Fan", "Yi Zhou", "Shijie Wang", "Yuyao Yan", "Hui Liu", "Qian Zhao", "Le Song", "Qing Li" ]
[ "cs.CE", "cs.CL", "q-bio.BM" ]
[ "Computer Science", "Biology" ]
2025-01-17T00:00:00
https://arxiv.org/abs/2501.10282
https://arxiv.org/pdf/2501.10282v2
2501.10282
10.48550/arXiv.2501.10282
16
0
false
null
arXiv.org
0.3076
4dd4bff106bdb6c57f8d6b5142d6a41fc694c5af63bf5ff70a147a795192300f
[ "arxiv", "semantic_scholar" ]
Protein Structure Prediction in the 3D HP Model Using Deep Reinforcement Learning
We address protein structure prediction in the 3D Hydrophobic-Polar lattice model through two novel deep learning architectures. For proteins under 36 residues, our hybrid reservoir-based model combines fixed random projections with trainable deep layers, achieving optimal conformations with 25% fewer training episodes...
[ "Giovanny Espitia", "Yui Tik Pang", "James C. Gumbart" ]
[ "cs.LG", "cs.AI", "q-bio.BM" ]
[ "Computer Science", "Biology" ]
2024-12-29T00:00:00
https://arxiv.org/abs/2412.20329
https://arxiv.org/pdf/2412.20329v1
2412.20329
10.48550/arXiv.2412.20329
1
0
false
null
arXiv.org
0.0753
5714b0fb38088e67cd504ff5a0cda8334e9b1c6a168a92e2eab53f6a88292473
[ "arxiv", "semantic_scholar" ]
PLD-Tree: Persistent Laplacian Decision Tree for Protein-Protein Binding Free Energy Prediction
Recent advances in topology-based modeling have accelerated progress in physical modeling and molecular studies, including applications to protein-ligand binding affinity. In this work, we introduce the Persistent Laplacian Decision Tree (PLD-Tree), a novel method designed to address the challenging task of predicting ...
[ "Xingjian Xu", "Jiahui Chen", "Chunmei Wang" ]
[ "q-bio.BM" ]
[ "Biology" ]
2024-12-24T00:00:00
https://arxiv.org/abs/2412.18541
https://arxiv.org/pdf/2412.18541v1
2412.18541
null
1
0
false
null
null
0.0753
c4d94797fa0a5b6b28fef0c0fb8d493aa6b204656cc77a209eeccf7206683d0b
[ "arxiv", "semantic_scholar" ]
Overview of the First Workshop on Language Models for Low-Resource Languages (LoResLM 2025)
The first Workshop on Language Models for Low-Resource Languages (LoResLM 2025) was held in conjunction with the 31st International Conference on Computational Linguistics (COLING 2025) in Abu Dhabi, United Arab Emirates. This workshop mainly aimed to provide a forum for researchers to share and discuss their ongoing w...
[ "Hansi Hettiarachchi", "Tharindu Ranasinghe", "Paul Rayson", "Ruslan Mitkov", "Mohamed Gaber", "Damith Premasiri", "Fiona Anting Tan", "Lasitha Uyangodage" ]
[ "cs.CL", "cs.AI" ]
[ "Computer Science" ]
2024-12-20T00:00:00
https://arxiv.org/abs/2412.16365
https://arxiv.org/pdf/2412.16365v1
2412.16365
10.48550/arXiv.2412.16365
3
0
false
null
null
0.1505
a79ff12487857f34176a6fb403715a3a9fe0c79020386096755e884bf0603029
[ "arxiv", "semantic_scholar" ]
Open-Source Protein Language Models for Function Prediction and Protein Design
Protein language models (PLMs) have shown promise in improving the understanding of protein sequences, contributing to advances in areas such as function prediction and protein engineering. However, training these models from scratch requires significant computational resources, limiting their accessibility. To address...
[ "Shivasankaran Vanaja Pandi", "Bharath Ramsundar" ]
[ "cs.LG", "q-bio.BM" ]
[ "Computer Science", "Biology" ]
2024-12-18T00:00:00
https://arxiv.org/abs/2412.13519
https://arxiv.org/pdf/2412.13519v1
2412.13519
10.48550/arXiv.2412.13519
1
0
true
null
arXiv.org
0.0753
da02afb1cc6d2433d6371294eb83bf18719d96fae4a8023ba9519bbcc656f541
[ "arxiv", "semantic_scholar" ]
EvoLlama: Enhancing LLMs' Understanding of Proteins via Multimodal Structure and Sequence Representations
Current Large Language Models (LLMs) for understanding proteins primarily treats amino acid sequences as a text modality. Meanwhile, Protein Language Models (PLMs), such as ESM-2, have learned massive sequential evolutionary knowledge from the universe of natural protein sequences. Furthermore, structure-based encoders...
[ "Nuowei Liu", "Changzhi Sun", "Tao Ji", "Junfeng Tian", "Jianxin Tang", "Yuanbin Wu", "Man Lan" ]
[ "cs.LG", "cs.AI" ]
[ "Computer Science" ]
2024-12-16T00:00:00
https://arxiv.org/abs/2412.11618
https://arxiv.org/pdf/2412.11618v1
2412.11618
10.48550/arXiv.2412.11618
11
1
false
null
arXiv.org
0.2698
f74aec5afa642777ae4a8f1990d91a7704a2af0e6ff4de75fb3bc2c659816a2b
[ "arxiv", "semantic_scholar" ]
Applications of Knot Theory for the Improvement of the AlphaFold Protein Database
AlphaFold, a groundbreaking protein prediction model, has revolutionized protein structure prediction, populating the AlphaFold Protein Database (AFDB) with millions of predicted structures. However, AlphaFold's accuracy in predicting proteins with intricate topologies, such as knots, remains a concern. This study inve...
[ "Pranshu Jahagirdar" ]
[ "q-bio.BM" ]
[ "Biology" ]
2024-12-15T00:00:00
https://arxiv.org/abs/2412.11229
https://arxiv.org/pdf/2412.11229v1
2412.11229
null
1
0
false
null
null
0.0753
2a1a4aa76ffb4c30d9775eb40a07fa694f1b4c0d9a72ee7e102b719dba6a5bce
[ "arxiv", "semantic_scholar" ]
FlowDock: Geometric Flow Matching for Generative Protein-Ligand Docking and Affinity Prediction
Powerful generative AI models of protein-ligand structure have recently been proposed, but few of these methods support both flexible protein-ligand docking and affinity estimation. Of those that do, none can directly model multiple binding ligands concurrently or have been rigorously benchmarked on pharmacologically r...
[ "Alex Morehead", "Jianlin Cheng" ]
[ "cs.LG", "cs.AI", "q-bio.BM", "q-bio.QM" ]
[ "Computer Science", "Biology", "Medicine" ]
2024-12-14T00:00:00
https://arxiv.org/abs/2412.10966
https://arxiv.org/pdf/2412.10966v3
2412.10966
10.48550/arXiv.2412.10966
13
1
true
https://github.com/BioinfoMachineLearning/FlowDock
arXiv.org
0.2865
9dbae3e1f9681722150f7c7954db91ffc70d27bc3d93c4c3267c0c6313af3675
[ "arxiv", "semantic_scholar" ]
KULTURE Bench: A Benchmark for Assessing Language Model in Korean Cultural Context
Large language models have exhibited significant enhancements in performance across various tasks. However, the complexity of their evaluation increases as these models generate more fluent and coherent content. Current multilingual benchmarks often use translated English versions, which may incorporate Western cultura...
[ "Xiaonan Wang", "Jinyoung Yeo", "Joon-Ho Lim", "Hansaem Kim" ]
[ "cs.CL" ]
[ "Computer Science" ]
2024-12-10T00:00:00
https://arxiv.org/abs/2412.07251
https://arxiv.org/pdf/2412.07251v1
2412.07251
10.48550/arXiv.2412.07251
6
0
false
null
Pacific Asia Conference on Language, Information and Computation
0.2113
92a148adcd16723d97a819dd593838620df3c4010f08c136b6389a5c0a83a9ef
[ "arxiv", "semantic_scholar" ]
Leveraging Multi-modal Representations to Predict Protein Melting Temperatures
Accurately predicting protein melting temperature changes (Delta Tm) is fundamental for assessing protein stability and guiding protein engineering. Leveraging multi-modal protein representations has shown great promise in capturing the complex relationships among protein sequences, structures, and functions. In this s...
[ "Daiheng Zhang", "Yan Zeng", "Xinyu Hong", "Jinbo Xu" ]
[ "cs.LG", "cs.CE" ]
[ "Computer Science" ]
2024-12-05T00:00:00
https://arxiv.org/abs/2412.04526
https://arxiv.org/pdf/2412.04526v3
2412.04526
null
0
0
false
null
null
0
5416b975d46237d4d056c15cb231a8063181b6565ab14588563889f7a68f67e1
[ "arxiv", "semantic_scholar" ]
SeqProFT: Sequence-only Protein Property Prediction with LoRA Finetuning
Protein language models (PLMs) have demonstrated remarkable capabilities in learning relationships between protein sequences and functions. However, finetuning these large models requires substantial computational resources, often with suboptimal task-specific results. This study investigates how parameter-efficient fi...
[ "Shuo Zhang", "Jian K. Liu" ]
[ "cs.LG", "q-bio.QM" ]
[ "Computer Science", "Biology" ]
2024-11-18T00:00:00
https://arxiv.org/abs/2411.11530
https://arxiv.org/pdf/2411.11530v2
2411.11530
10.1109/TAI.2025.3636109
4
0
true
https://github.com/jiankliu/SeqProFT
IEEE Transactions on Artificial Intelligence
0.1747
90e93b88184849bb479076fe77405271bc9d370b6d38a871ba20aea98fea2d0a
[ "arxiv", "semantic_scholar" ]
SCOP: A Sequence-Structure Contrast-Aware Framework for Protein Function Prediction
Improving the ability to predict protein function can potentially facilitate research in the fields of drug discovery and precision medicine. Technically, the properties of proteins are directly or indirectly reflected in their sequence and structure information, especially as the protein function is largely determined...
[ "Runze Ma", "Chengxin He", "Huiru Zheng", "Xinye Wang", "Haiying Wang", "Yidan Zhang", "Lei Duan" ]
[ "q-bio.BM" ]
[ "Computer Science", "Biology" ]
2024-11-18T00:00:00
https://arxiv.org/abs/2411.11366
https://arxiv.org/pdf/2411.11366v1
2411.11366
10.1109/BIBM62325.2024.10822541
1
0
false
null
IEEE International Conference on Bioinformatics and Biomedicine
0.0753
31ba7fddaa9c71b0e881eab08751a1f7bcf20153612fe38fa60433e5d6982699
[ "arxiv", "semantic_scholar" ]
Efficient Alignment of Large Language Models via Data Sampling
LLM alignment ensures that large language models behave safely and effectively by aligning their outputs with human values, goals, and intentions. Aligning LLMs employ huge amounts of data, computation, and time. Moreover, curating data with human feedback is expensive and takes time. Recent research depicts the benefi...
[ "Amrit Khera", "Rajat Ghosh", "Debojyoti Dutta" ]
[ "cs.LG", "cs.CL" ]
[ "Computer Science" ]
2024-11-15T00:00:00
https://arxiv.org/abs/2411.10545
https://arxiv.org/pdf/2411.10545v2
2411.10545
10.48550/arXiv.2411.10545
1
0
false
null
null
0.0753
a6196dfd3b26c44d9b71ee21cc182fc4b60eb62bc8d3fe9bee843592c2d369e2
[ "arxiv", "semantic_scholar" ]
InterPLM: Discovering Interpretable Features in Protein Language Models via Sparse Autoencoders
Protein language models (PLMs) have demonstrated remarkable success in protein modeling and design, yet their internal mechanisms for predicting structure and function remain poorly understood. Here we present a systematic approach to extract and analyze interpretable features from PLMs using sparse autoencoders (SAEs)...
[ "Elana Simon", "James Zou" ]
[ "q-bio.BM", "cs.AI", "cs.LG", "q-bio.QM" ]
[ "Computer Science", "Medicine", "Biology" ]
2024-11-13T00:00:00
https://arxiv.org/abs/2412.12101
https://arxiv.org/pdf/2412.12101v1
2412.12101
10.1038/s41592-025-02836-7
107
5
true
null
bioRxiv
0.5084
1ee48b8b8781ea84f3200b1c2580b536d520d46ebdfaa70f7227894b7ea747a4
[ "arxiv", "semantic_scholar" ]
Concept Bottleneck Language Models For protein design
We introduce Concept Bottleneck Protein Language Models (CB-pLM), a generative masked language model with a layer where each neuron corresponds to an interpretable concept. Our architecture offers three key benefits: i) Control: We can intervene on concept values to precisely control the properties of generated protein...
[ "Aya Abdelsalam Ismail", "Tuomas Oikarinen", "Amy Wang", "Julius Adebayo", "Samuel Stanton", "Taylor Joren", "Joseph Kleinhenz", "Allen Goodman", "Héctor Corrada Bravo", "Kyunghyun Cho", "Nathan C. Frey" ]
[ "cs.LG" ]
[ "Computer Science" ]
2024-11-09T00:00:00
https://arxiv.org/abs/2411.06090
https://arxiv.org/pdf/2411.06090v2
2411.06090
10.48550/arXiv.2411.06090
24
0
false
null
International Conference on Learning Representations
0.3495
f19ddee6ca9dfecf59de4a9effff5d147bb3504ee4505fe0c22090f03718c574
[ "arxiv", "semantic_scholar" ]
Energy Efficient Protein Language Models: Leveraging Small Language Models with LoRA for Controllable Protein Generation
Large language models (LLMs) have demonstrated significant success in natural language processing (NLP) tasks and have shown promising results in other domains such as protein sequence generation. However, there remain salient differences between LLMs used for NLP, which effectively handle multiple tasks and are availa...
[ "Aayush Shah", "Shankar Jayaratnam" ]
[ "q-bio.BM", "cs.LG" ]
[ "Biology", "Computer Science" ]
2024-11-08T00:00:00
https://arxiv.org/abs/2411.05966
https://arxiv.org/pdf/2411.05966v1
2411.05966
10.48550/arXiv.2411.05966
2
0
false
null
arXiv.org
0.1193
f6a78c51e25b618cdf6668130ab0e6d6b75c1435d961ff36577b0b4dd3cc826a
[ "arxiv", "semantic_scholar" ]
Training Compute-Optimal Protein Language Models
We explore optimally training protein language models, an area of significant interest in biological research where guidance on best practices is limited. Most models are trained with extensive compute resources until performance gains plateau, focusing primarily on increasing model sizes rather than optimizing the eff...
[ "Xingyi Cheng", "Bo Chen", "Pan Li", "Jing Gong", "Jie Tang", "Le Song" ]
[ "cs.LG", "cs.AI", "q-bio.QM" ]
[ "Biology", "Computer Science" ]
2024-11-04T00:00:00
https://arxiv.org/abs/2411.02142
https://arxiv.org/pdf/2411.02142v1
2411.02142
10.1101/2024.06.06.597716
38
4
true
https://github.com/cxysteven/ScalingProteinLM
bioRxiv
0.3978
bca3ef1d13537ca06fb99bfd4e47b715e2654c640fbdfbf472912ace0cb5657f
[ "arxiv", "semantic_scholar" ]
Beyond Current Boundaries: Integrating Deep Learning and AlphaFold for Enhanced Protein Structure Prediction from Low-Resolution Cryo-EM Maps
Constructing atomic models from cryo-electron microscopy (cryo-EM) maps is a crucial yet intricate task in structural biology. While advancements in deep learning, such as convolutional neural networks (CNNs) and graph neural networks (GNNs), have spurred the development of sophisticated map-to-model tools like DeepTra...
[ " Xin", " Ma", "Dong Si" ]
[ "q-bio.QM", "cs.LG" ]
[ "Medicine", "Computer Science", "Biology" ]
2024-10-30T00:00:00
https://arxiv.org/abs/2410.23321
https://arxiv.org/pdf/2410.23321v1
2410.23321
10.48550/arXiv.2410.23321
4
0
false
null
null
0.1747
4b418cb0afd769cfc3539cd6b4851f7765e704a22428474154cc522e8dcdf0bc
[ "arxiv", "semantic_scholar" ]
MutaPLM: Protein Language Modeling for Mutation Explanation and Engineering
Studying protein mutations within amino acid sequences holds tremendous significance in life sciences. Protein language models (PLMs) have demonstrated strong capabilities in broad biological applications. However, due to architectural design and lack of supervision, PLMs model mutations implicitly with evolutionary pl...
[ "Yizhen Luo", "Zikun Nie", "Massimo Hong", "Suyuan Zhao", "Hao Zhou", "Zaiqing Nie" ]
[ "cs.LG", "q-bio.BM" ]
[ "Computer Science", "Biology" ]
2024-10-30T00:00:00
https://arxiv.org/abs/2410.22949
https://arxiv.org/pdf/2410.22949v1
2410.22949
10.48550/arXiv.2410.22949
2
0
true
https://github.com/PharMolix/MutaPLM
Neural Information Processing Systems
0.1193
4d1937dbb43c35b72917e22fa5d43494a278092c9a0a438f595b1af870353460
[ "arxiv", "semantic_scholar" ]
Long-context Protein Language Modeling Using Bidirectional Mamba with Shared Projection Layers
Self-supervised training of language models (LMs) has seen great success for protein sequences in learning meaningful representations and for generative drug design. Most protein LMs are based on the Transformer architecture trained on individual proteins with short context lengths. Such protein LMs cannot extrapolate ...
[ "Yingheng Wang", "Zichen Wang", "Gil Sadeh", "Luca Zancato", "Alessandro Achille", "George Karypis", "Huzefa Rangwala" ]
[ "q-bio.BM", "cs.LG" ]
[ "Biology", "Computer Science" ]
2024-10-29T00:00:00
https://arxiv.org/abs/2411.08909
https://arxiv.org/pdf/2411.08909v3
2411.08909
10.1101/2024.10.29.620988
4
0
true
https://github.com/amazon-science/LC-PLM
bioRxiv
0.1747
1bb1d3b322321c1932517be23b35eb81171f1d7f412fcdcf84958dfaec705f3b
[ "arxiv", "semantic_scholar" ]
Retrieval-Enhanced Mutation Mastery: Augmenting Zero-Shot Prediction of Protein Language Model
Enzyme engineering enables the modification of wild-type proteins to meet industrial and research demands by enhancing catalytic activity, stability, binding affinities, and other properties. The emergence of deep learning methods for protein modeling has demonstrated superior results at lower costs compared to traditi...
[ "Yang Tan", "Ruilin Wang", "Banghao Wu", "Liang Hong", "Bingxin Zhou" ]
[ "cs.CL", "cs.AI", "q-bio.QM" ]
[ "Computer Science", "Biology" ]
2024-10-28T00:00:00
https://arxiv.org/abs/2410.21127
https://arxiv.org/pdf/2410.21127v1
2410.21127
10.48550/arXiv.2410.21127
21
1
true
https://github.com/tyang816/ProtREM
arXiv.org
0.3356
9c3e96e327d50b157e6bd8930a71fc5bc468bb8311d27b0f21f6a802d928ce03
[ "arxiv", "semantic_scholar" ]
A Survey of Large Language Models for Arabic Language and its Dialects
This survey offers a comprehensive overview of Large Language Models (LLMs) designed for Arabic language and its dialects. It covers key architectures, including encoder-only, decoder-only, and encoder-decoder models, along with the datasets used for pre-training, spanning Classical Arabic, Modern Standard Arabic, and ...
[ "Malak Mashaabi", "Shahad Al-Khalifa", "Hend Al-Khalifa" ]
[ "cs.CL", "cs.AI" ]
[ "Computer Science" ]
2024-10-26T00:00:00
https://arxiv.org/abs/2410.20238
https://arxiv.org/pdf/2410.20238v2
2410.20238
10.1145/3807946
23
1
false
null
ACM Transactions on Asian and Low-Resource Language Information Processing
0.3451
1ca54675e685546beaf239d1e8e851f5ee61dc5ac0b2824e6f944432ab22a28b
[ "arxiv", "semantic_scholar" ]
Structure Language Models for Protein Conformation Generation
Proteins adopt multiple structural conformations to perform their diverse biological functions, and understanding these conformations is crucial for advancing drug discovery. Traditional physics-based simulation methods often struggle with sampling equilibrium conformations and are computationally expensive. Recently, ...
[ "Jiarui Lu", "Xiaoyin Chen", "Stephen Zhewen Lu", "Chence Shi", "Hongyu Guo", "Yoshua Bengio", "Jian Tang" ]
[ "q-bio.BM", "cs.LG" ]
[ "Computer Science", "Biology" ]
2024-10-24T00:00:00
https://arxiv.org/abs/2410.18403
https://arxiv.org/pdf/2410.18403v2
2410.18403
10.48550/arXiv.2410.18403
30
1
false
null
International Conference on Learning Representations
0.3728
cf534dfc404fc56bfb66af22137ded7c996248edfba10408a32eb3f94f313d99
[ "arxiv", "semantic_scholar" ]
CPE-Pro: A Structure-Sensitive Deep Learning Method for Protein Representation and Origin Evaluation
Protein structures are important for understanding their functions and interactions. Currently, many protein structure prediction methods are enriching the structure database. Discriminating the origin of structures is crucial for distinguishing between experimentally resolved and computationally predicted structures, ...
[ "Wenrui Gou", "Wenhui Ge", "Yang Tan", "Mingchen Li", "Guisheng Fan", "Huiqun Yu" ]
[ "q-bio.BM", "cs.CL", "cs.LG", "q-bio.QM" ]
[ "Biology", "Computer Science", "Medicine" ]
2024-10-21T00:00:00
https://arxiv.org/abs/2410.15592
https://arxiv.org/pdf/2410.15592v2
2410.15592
10.1007/s12539-025-00732-4
2
0
true
https://github.com/GouWenrui/CPE-Pro-main.git
Interdisciplinary Sciences Computational Life Sciences
0.1193
97f43958cb9ba379473dc0a3277c4478f82e334a039107dafb8a4a31b470edfa
[ "arxiv", "semantic_scholar" ]
Proteins with alternative folds reveal blind spots in AlphaFold-based protein structure prediction
In recent years, advances in artificial intelligence (AI) have transformed structural biology, particularly protein structure prediction. Though AI-based methods, such as AlphaFold (AF), often predict single conformations of proteins with high accuracy and confidence, predictions of alternative folds are often inaccura...
[ "Devlina Chakravarty", "Myeongsang Lee", "Lauren L. Porter" ]
[ "q-bio.BM" ]
[ "Biology", "Medicine" ]
2024-10-18T00:00:00
https://arxiv.org/abs/2410.14898
https://arxiv.org/pdf/2410.14898v1
2410.14898
null
25
0
false
null
arXiv.org
0.3537
109fd66ea0e6363514757dd867feb8869a40c4bf05ac6133b32f20b139acae0a
[ "arxiv", "semantic_scholar" ]
DPLM-2: A Multimodal Diffusion Protein Language Model
Proteins are essential macromolecules defined by their amino acid sequences, which determine their three-dimensional structures and, consequently, their functions in all living organisms. Therefore, generative protein modeling necessitates a multimodal approach to simultaneously model, understand, and generate both seq...
[ "Xinyou Wang", "Zaixiang Zheng", "Fei Ye", "Dongyu Xue", "Shujian Huang", "Quanquan Gu" ]
[ "cs.LG", "q-bio.QM" ]
[ "Computer Science", "Biology" ]
2024-10-17T00:00:00
https://arxiv.org/abs/2410.13782
https://arxiv.org/pdf/2410.13782v1
2410.13782
10.48550/arXiv.2410.13782
72
8
false
null
International Conference on Learning Representations
0.4771
b7e06740c37266946cf41d752dfee1a8a17b8a311ad1674013be22389d475f8b
[ "arxiv", "semantic_scholar" ]
Bridging Large Language Models and Graph Structure Learning Models for Robust Representation Learning
Graph representation learning, involving both node features and graph structures, is crucial for real-world applications but often encounters pervasive noise. State-of-the-art methods typically address noise by focusing separately on node features with large language models (LLMs) and on graph structures with graph str...
[ "Guangxin Su", "Yifan Zhu", "Wenjie Zhang", "Hanchen Wang", "Ying Zhang" ]
[ "cs.LG", "cs.AI" ]
[ "Computer Science" ]
2024-10-15T00:00:00
https://arxiv.org/abs/2410.12096
https://arxiv.org/pdf/2410.12096v1
2410.12096
10.48550/arXiv.2410.12096
3
1
false
null
arXiv.org
0.1505
371cf8ac654a825410b42abbfe095a6b8b1ae4b3b590ba384882cca6ff404f1a
[ "arxiv", "semantic_scholar" ]
Model-based Large Language Model Customization as Service
Prominent Large Language Model (LLM) services from providers like OpenAI and Google excel at general tasks but often underperform on domain-specific applications. Current customization services for these LLMs typically require users to upload data for fine-tuning, posing significant privacy risks. While differentially ...
[ "Zhaomin Wu", "Jizhou Guo", "Junyi Hou", "Bingsheng He", "Lixin Fan", "Qiang Yang" ]
[ "cs.LG", "cs.AI", "cs.CR" ]
[ "Computer Science" ]
2024-10-14T00:00:00
https://arxiv.org/abs/2410.10481
https://arxiv.org/pdf/2410.10481v5
2410.10481
10.18653/v1/2025.emnlp-main.248
2
0
false
null
Conference on Empirical Methods in Natural Language Processing
0.1193
6467666eaa8ea3ab6346a96ba43c19a6ff5c79cd9515cd7d41a049297e0183b8
[ "arxiv", "semantic_scholar" ]
From N-grams to Pre-trained Multilingual Models For Language Identification
In this paper, we investigate the use of N-gram models and Large Pre-trained Multilingual models for Language Identification (LID) across 11 South African languages. For N-gram models, this study shows that effective data size selection remains crucial for establishing effective frequency distributions of the target la...
[ "Thapelo Sindane", "Vukosi Marivate" ]
[ "cs.CL", "cs.AI" ]
[ "Computer Science" ]
2024-10-11T00:00:00
https://arxiv.org/abs/2410.08728
https://arxiv.org/pdf/2410.08728v1
2410.08728
10.48550/arXiv.2410.08728
5
1
false
null
null
0.1945
d6200f974bff103076f9972960728197bbf44cdf6d5796bf7027abcd8b8d0570
[ "arxiv", "semantic_scholar" ]
Metalic: Meta-Learning In-Context with Protein Language Models
Predicting the biophysical and functional properties of proteins is essential for in silico protein design. Machine learning has emerged as a promising technique for such prediction tasks. However, the relative scarcity of in vitro annotations means that these models often have little, or no, specific data on the desir...
[ "Jacob Beck", "Shikha Surana", "Manus McAuliffe", "Oliver Bent", "Thomas D. Barrett", "Juan Jose Garau Luis", "Paul Duckworth" ]
[ "cs.LG" ]
[ "Computer Science" ]
2024-10-10T00:00:00
https://arxiv.org/abs/2410.08355
https://arxiv.org/pdf/2410.08355v3
2410.08355
10.48550/arXiv.2410.08355
4
0
true
https://github.com/instadeepai/metalic
International Conference on Learning Representations
0.1747
4bb659bee2033032c6c6bfa8f48c3349746dc8d24dd274b38a3c47ac10903f6c
[ "arxiv", "semantic_scholar" ]
Structure-Enhanced Protein Instruction Tuning: Towards General-Purpose Protein Understanding with LLMs
Proteins, as essential biomolecules, play a central role in biological processes, including metabolic reactions and DNA replication. Accurate prediction of their properties and functions is crucial in biological applications. Recent development of protein language models (pLMs) with supervised fine tuning provides a pr...
[ "Wei Wu", "Chao Wang", "Liyi Chen", "Mingze Yin", "Yiheng Zhu", "Kun Fu", "Jieping Ye", "Hui Xiong", "Zheng Wang" ]
[ "cs.CL", "q-bio.BM" ]
[ "Computer Science", "Biology" ]
2024-10-04T00:00:00
https://arxiv.org/abs/2410.03553
https://arxiv.org/pdf/2410.03553v3
2410.03553
10.1145/3711896.3737138
6
0
true
null
Knowledge Discovery and Data Mining
0.2113
cba57da086e8c65f4a0251179f68c1cc0d6fe39cc7c3a106d40768137b06ce60
[ "arxiv", "semantic_scholar" ]
Function-Guided Conditional Generation Using Protein Language Models with Adapters
The conditional generation of proteins with desired functions is a key goal for generative models. Existing methods based on prompting of protein language models (PLMs) can generate proteins conditioned on a target functionality, such as a desired enzyme family. However, these methods are limited to simple, tokenized c...
[ "Jason Yang", "Aadyot Bhatnagar", "Jeffrey A. Ruffolo", "Ali Madani" ]
[ "q-bio.BM", "cs.LG" ]
[ "Biology", "Computer Science" ]
2024-10-04T00:00:00
https://arxiv.org/abs/2410.03634
https://arxiv.org/pdf/2410.03634v2
2410.03634
null
9
0
false
null
null
0.25
e895f6c0ed280a291504ffa368015646f7fa71278ddabeab8ddbf804ff229e54
[ "arxiv", "semantic_scholar" ]
Morphological evaluation of subwords vocabulary used by BETO language model
Subword tokenization algorithms used by Large Language Models are significantly more efficient and can independently build the necessary vocabulary of words and subwords without human intervention. However, those subwords do not always align with real morphemes, potentially impacting the models' performance, though it ...
[ "Óscar García-Sierra", "Ana Fernández-Pampillón Cesteros", "Miguel Ortega-Martín" ]
[ "cs.CL", "cs.AI" ]
[ "Computer Science" ]
2024-10-03T00:00:00
https://arxiv.org/abs/2410.02283
https://arxiv.org/pdf/2410.02283v1
2410.02283
10.48550/arXiv.2410.02283
0
0
false
null
arXiv.org
0
6653216f5243e6956c8eba87dca5a675122c6bf85aa465d5904d969d2bb1426e
[ "arxiv", "semantic_scholar" ]
Recent advances in interpretable machine learning using structure-based protein representations
Recent advancements in machine learning (ML) are transforming the field of structural biology. For example, AlphaFold, a groundbreaking neural network for protein structure prediction, has been widely adopted by researchers. The availability of easy-to-use interfaces and interpretable outcomes from the neural network a...
[ "Luiz Felipe Vecchietti", "Minji Lee", "Begench Hangeldiyev", "Hyunkyu Jung", "Hahnbeom Park", "Tae-Kyun Kim", "Meeyoung Cha", "Ho Min Kim" ]
[ "cs.LG" ]
[ "Computer Science" ]
2024-09-26T00:00:00
https://arxiv.org/abs/2409.17726
https://arxiv.org/pdf/2409.17726v1
2409.17726
10.48550/arXiv.2409.17726
1
0
false
null
arXiv.org
0.0753
822045c4adce0b15601f705784e562244288128e3d3397ae9d316bef326b9a66
[ "arxiv", "semantic_scholar" ]
Behavioral Bias of Vision-Language Models: A Behavioral Finance View
Large Vision-Language Models (LVLMs) evolve rapidly as Large Language Models (LLMs) was equipped with vision modules to create more human-like models. However, we should carefully evaluate their applications in different domains, as they may possess undesired biases. Our work studies the potential behavioral biases of ...
[ "Yuhang Xiao", "Yudi Lin", "Ming-Chang Chiu" ]
[ "cs.CL", "cs.AI" ]
[ "Computer Science" ]
2024-09-23T00:00:00
https://arxiv.org/abs/2409.15256
https://arxiv.org/pdf/2409.15256v1
2409.15256
10.48550/arXiv.2409.15256
3
0
true
https://github.com/mydcxiao/vlm_behavioral_fin
arXiv.org
0.1505
46bb5830a9e81b4015dc6e808d5e63abf6fa7f98268b979053136b6c4938df4e
[ "arxiv", "semantic_scholar" ]
Protein-Mamba: Biological Mamba Models for Protein Function Prediction
Protein function prediction is a pivotal task in drug discovery, significantly impacting the development of effective and safe therapeutics. Traditional machine learning models often struggle with the complexity and variability inherent in predicting protein functions, necessitating more sophisticated approaches. In th...
[ "Bohao Xu", "Yingzhou Lu", "Yoshitaka Inoue", "Namkyeong Lee", "Tianfan Fu", "Jintai Chen" ]
[ "cs.LG", "q-bio.BM", "q-bio.QM" ]
[ "Computer Science", "Biology" ]
2024-09-22T00:00:00
https://arxiv.org/abs/2409.14617
https://arxiv.org/pdf/2409.14617v1
2409.14617
10.48550/arXiv.2409.14617
5
0
false
null
arXiv.org
0.1945
3d2f98480d25274dd22e67d0520faca7df349312af9e7a5f1d1b3e0b2e9e36ae
[ "arxiv", "semantic_scholar" ]
Natural Language Processing Methods for the Study of Protein-Ligand Interactions
Recent advances in Natural Language Processing (NLP) have ignited interest in developing effective methods for predicting protein-ligand interactions (PLIs) given their relevance to drug discovery and protein engineering efforts and the ever-growing volume of biochemical sequence and structural data available. The para...
[ "James Michels", "Ramya Bandarupalli", "Amin Ahangar Akbari", "Thai Le", "Hong Xiao", "Jing Li", "Erik F. Y. Hom" ]
[ "q-bio.QM", "cs.CL" ]
[ "Biology", "Computer Science", "Medicine" ]
2024-09-19T00:00:00
https://arxiv.org/abs/2409.13057
https://arxiv.org/pdf/2409.13057v2
2409.13057
10.48550/arXiv.2409.13057
3
0
false
null
arXiv.org
0.1505
53d85d931d50a96a4bd3812b2f0fbe7715b89b477235fea0485d655e5994f70c
[ "arxiv", "semantic_scholar" ]
THaMES: An End-to-End Tool for Hallucination Mitigation and Evaluation in Large Language Models
Hallucination, the generation of factually incorrect content, is a growing challenge in Large Language Models (LLMs). Existing detection and mitigation methods are often isolated and insufficient for domain-specific needs, lacking a standardized pipeline. This paper introduces THaMES (Tool for Hallucination Mitigations...
[ "Mengfei Liang", "Archish Arun", "Zekun Wu", "Cristian Munoz", "Jonathan Lutch", "Emre Kazim", "Adriano Koshiyama", "Philip Treleaven" ]
[ "cs.CL" ]
[ "Computer Science" ]
2024-09-17T00:00:00
https://arxiv.org/abs/2409.11353
https://arxiv.org/pdf/2409.11353v3
2409.11353
10.48550/arXiv.2409.11353
8
1
false
null
arXiv.org
0.2386
2e4e3ecd950a0b6aa0f08a9f06a0b7f9c3110fb36cb78010805e944f99c756c7
[ "arxiv", "semantic_scholar" ]
Unforgettable Generalization in Language Models
When language models (LMs) are trained to forget (or "unlearn'') a skill, how precisely does their behavior change? We study the behavior of transformer LMs in which tasks have been forgotten via fine-tuning on randomized labels. Such LMs learn to generate near-random predictions for individual examples in the "trainin...
[ "Eric Zhang", "Leshem Chosen", "Jacob Andreas" ]
[ "cs.LG", "cs.CL" ]
[ "Computer Science" ]
2024-09-03T00:00:00
https://arxiv.org/abs/2409.02228
https://arxiv.org/pdf/2409.02228v1
2409.02228
10.48550/arXiv.2409.02228
4
0
false
null
arXiv.org
0.1747
ebfc22335033f3e4ddfe7992f30a7defe5901bcc82e19a507fcdb5ba92dff938
[ "arxiv", "semantic_scholar" ]
SpeechPrompt: Prompting Speech Language Models for Speech Processing Tasks
Prompting has become a practical method for utilizing pre-trained language models (LMs). This approach offers several advantages. It allows an LM to adapt to new tasks with minimal training and parameter updates, thus achieving efficiency in both storage and computation. Additionally, prompting modifies only the LM's i...
[ "Kai-Wei Chang", "Haibin Wu", "Yu-Kai Wang", "Yuan-Kuei Wu", "Hua Shen", "Wei-Cheng Tseng", "Iu-thing Kang", "Shang-Wen Li", "Hung-yi Lee" ]
[ "eess.AS", "cs.AI", "cs.CL", "cs.LG" ]
[ "Engineering", "Computer Science" ]
2024-08-23T00:00:00
https://arxiv.org/abs/2408.13040
https://arxiv.org/pdf/2408.13040v1
2408.13040
10.1109/TASLP.2024.3436618
17
1
false
null
IEEE/ACM Transactions on Audio Speech and Language Processing
0.3138
cf287b087371d8417a98f91edf87975972b5db6c9bf4b4e7e19d55f75fe2bf4c
[ "arxiv", "semantic_scholar" ]
AlphaFolding: 4D Diffusion for Dynamic Protein Structure Prediction with Reference and Motion Guidance
Protein structure prediction is pivotal for understanding the structure-function relationship of proteins, advancing biological research, and facilitating pharmaceutical development and experimental design. While deep learning methods and the expanded availability of experimental 3D protein structures have accelerated ...
[ "Kaihui Cheng", "Ce Liu", "Qingkun Su", "Jun Wang", "Liwei Zhang", "Yining Tang", "Yao Yao", "Siyu Zhu", "Yuan Qi" ]
[ "cs.LG", "cs.AI" ]
[ "Computer Science" ]
2024-08-22T00:00:00
https://arxiv.org/abs/2408.12419
https://arxiv.org/pdf/2408.12419v3
2408.12419
null
4
0
false
null
null
0.1747
a4c973dafd55796e28b7623e472283d1ee8ed9ff823d67c38df0beb16701660d
[ "arxiv", "semantic_scholar" ]
CoPRA: Bridging Cross-domain Pretrained Sequence Models with Complex Structures for Protein-RNA Binding Affinity Prediction
Accurately measuring protein-RNA binding affinity is crucial in many biological processes and drug design. Previous computational methods for protein-RNA binding affinity prediction rely on either sequence or structure features, unable to capture the binding mechanisms comprehensively. The recent emerging pre-trained l...
[ "Rong Han", "Xiaohong Liu", "Tong Pan", "Jing Xu", "Xiaoyu Wang", "Wuyang Lan", "Zhenyu Li", "Zixuan Wang", "Jiangning Song", "Guangyu Wang", "Ting Chen" ]
[ "q-bio.BM", "cs.LG" ]
[ "Biology", "Computer Science" ]
2024-08-21T00:00:00
https://arxiv.org/abs/2409.03773
https://arxiv.org/pdf/2409.03773v2
2409.03773
10.48550/arXiv.2409.03773
8
0
false
null
AAAI Conference on Artificial Intelligence
0.2386
ea2979422e2bdc93ee3dc87bcd50692b63747540fec3bdada2be465162838aed
[ "arxiv", "semantic_scholar" ]
ProteinGPT: Multimodal LLM for Protein Property Prediction and Structure Understanding
Understanding biological processes, drug development, and biotechnological advancements requires a detailed analysis of protein structures and functions, a task that is inherently complex and time-consuming in traditional protein research. To streamline this process, we introduce ProteinGPT, a state-of-the-art multimod...
[ "Yijia Xiao", "Edward Sun", "Yiqiao Jin", "Qifan Wang", "Wei Wang" ]
[ "cs.AI", "cs.CE", "cs.LG", "q-bio.BM" ]
[ "Computer Science", "Biology" ]
2024-08-21T00:00:00
https://arxiv.org/abs/2408.11363
https://arxiv.org/pdf/2408.11363v2
2408.11363
10.48550/arXiv.2408.11363
43
1
true
https://github.com/ProteinGPT/ProteinGPT
arXiv.org
0.4109
29c7678109761d95ff7948a07cab9481d71e13940635c287517cc2d09a908843
[ "arxiv", "semantic_scholar" ]
Design Proteins Using Large Language Models: Enhancements and Comparative Analyses
Pre-trained LLMs have demonstrated substantial capabilities across a range of conventional natural language processing (NLP) tasks, such as summarization and entity recognition. In this paper, we explore the application of LLMs in the generation of high-quality protein sequences. Specifically, we adopt a suite of pre-t...
[ "Kamyar Zeinalipour", "Neda Jamshidi", "Monica Bianchini", "Marco Maggini", "Marco Gori" ]
[ "q-bio.QM", "cs.AI", "cs.LG" ]
[ "Computer Science", "Biology" ]
2024-08-12T00:00:00
https://arxiv.org/abs/2408.06396
https://arxiv.org/pdf/2408.06396v1
2408.06396
10.18653/v1/2024.langmol-1.5
3
0
false
null
null
0.1505
ba042b02e1a3d3ba3fe6eb0a4149c05d980b433e1adff6ec26b837721c84b24d
[ "arxiv", "semantic_scholar" ]
Peptide Sequencing Via Protein Language Models
We introduce a protein language model for determining the complete sequence of a peptide based on measurement of a limited set of amino acids. To date, protein sequencing relies on mass spectrometry, with some novel edman degregation based platforms able to sequence non-native peptides. Current protein sequencing techn...
[ "Thuong Le Hoai Pham", "Jillur Rahman Saurav", "Aisosa A. Omere", "Calvin J. Heyl", "Mohammad Sadegh Nasr", "Cody Tyler Reynolds", "Jai Prakash Yadav Veerla", "Helen H Shang", "Justyn Jaworski", "Alison Ravenscraft", "Joseph Anthony Buonomo", "Jacob M. Luber" ]
[ "q-bio.BM", "cs.LG" ]
[ "Computer Science", "Biology" ]
2024-08-01T00:00:00
https://arxiv.org/abs/2408.00892
https://arxiv.org/pdf/2408.00892v1
2408.00892
10.1145/3698587.3701385
2
0
false
null
ACM International Conference on Bioinformatics, Computational Biology and Biomedicine
0.1193
87429a29a88e563ad1de849fe67007d3fca8bc5ad613b4fcbe96060ea2508fc3
[ "arxiv", "semantic_scholar" ]
Improving Text Embeddings for Smaller Language Models Using Contrastive Fine-tuning
While Large Language Models show remarkable performance in natural language understanding, their resource-intensive nature makes them less accessible. In contrast, smaller language models such as MiniCPM offer more sustainable scalability, but often underperform without specialized optimization. In this paper, we explo...
[ "Trapoom Ukarapol", "Zhicheng Lee", "Amy Xin" ]
[ "cs.CL" ]
[ "Computer Science" ]
2024-08-01T00:00:00
https://arxiv.org/abs/2408.00690
https://arxiv.org/pdf/2408.00690v2
2408.00690
10.48550/arXiv.2408.00690
3
0
true
https://github.com/trapoom555/Language-Model-STS-CFT
arXiv.org
0.1505
eb3655e9400f731cf47d3228deb7238875ed1df66c571b3d98d06662301a2762
[ "arxiv", "semantic_scholar" ]
Ranking protein-protein models with large language models and graph neural networks
Protein-protein interactions (PPIs) are associated with various diseases, including cancer, infections, and neurodegenerative disorders. Obtaining three-dimensional structural information on these PPIs serves as a foundation to interfere with those or to guide drug design. Various strategies can be followed to model th...
[ "Xiaotong Xu", "Alexandre M. J. J. Bonvin" ]
[ "q-bio.BM", "cs.AI" ]
[ "Medicine", "Biology", "Computer Science" ]
2024-07-23T00:00:00
https://arxiv.org/abs/2407.16375
https://arxiv.org/pdf/2407.16375v1
2407.16375
10.1007/978-1-0716-4623-6_4
1
0
true
https://github.com/haddocking/DeepRank-GNN-esm
null
0.0753
60129d51a27615b5c98c7791bc9e01f6d1ab52f5e41e96925438816939b2a7ee
[ "arxiv", "semantic_scholar" ]
GraphPrint: Extracting Features from 3D Protein Structure for Drug Target Affinity Prediction
Accurate drug target affinity prediction can improve drug candidate selection, accelerate the drug discovery process, and reduce drug production costs. Previous work focused on traditional fingerprints or used features extracted based on the amino acid sequence in the protein, ignoring its 3D structure which affects it...
[ "Amritpal Singh" ]
[ "cs.LG", "cs.AI" ]
[ "Computer Science" ]
2024-07-15T00:00:00
https://arxiv.org/abs/2407.10452
https://arxiv.org/pdf/2407.10452v1
2407.10452
10.48550/arXiv.2407.10452
2
0
false
null
arXiv.org
0.1193
c18c774bacf89e06c3b19a948b2b1a22d36b14e914b03ef51d944679475bed08
[ "arxiv", "semantic_scholar" ]
Daisy: An integrated repeat protein curation service
Tandem repeats in proteins identification, classification and curation is a complex process that requires manual processing from experts, processing power and time. There are recent and relevant advances applying machine learning for protein structure prediction and repeat classification that are useful for this proces...
[ "Manuel Bezerra-Brandao", "Ronaldo Romario Tunque Cahui", "Layla Hirsh" ]
[ "cs.SE", "cs.DB" ]
[ "Computer Science", "Medicine" ]
2024-07-10T00:00:00
https://arxiv.org/abs/2407.07817
https://arxiv.org/pdf/2407.07817v1
2407.07817
10.1016/j.jsb.2023.108033
0
0
false
null
Journal of Structural Biology
0
a3896f444ffa5a98ee968b2c8fedcee4d5532f0d25b2e834b405527c638a0b07
[ "arxiv", "semantic_scholar" ]
Dihedral Angle Adherence: Evaluating Protein Structure Predictions in the Absence of Experimental Data
Determining the 3D structures of proteins is essential in understanding their behavior in the cellular environment. Computational methods of predicting protein structures have advanced, but assessing prediction accuracy remains a challenge. The traditional method, RMSD, relies on experimentally determined structures an...
[ "Musa Azeem", "Homayoun Valafar" ]
[ "q-bio.BM", "cs.CE" ]
[ "Biology", "Computer Science" ]
2024-07-09T00:00:00
https://arxiv.org/abs/2407.18336
https://arxiv.org/pdf/2407.18336v1
2407.18336
10.48550/arXiv.2407.18336
0
0
false
null
arXiv.org
0
44ed8d6c79bbbcdbe40d9f13279f5e0f1b8fa285b8a5848c2e3452f58087b80b
[ "arxiv", "semantic_scholar" ]
Improving AlphaFlow for Efficient Protein Ensembles Generation
Investigating conformational landscapes of proteins is a crucial way to understand their biological functions and properties. AlphaFlow stands out as a sequence-conditioned generative model that introduces flexibility into structure prediction models by fine-tuning AlphaFold under the flow-matching framework. Despite t...
[ "Shaoning Li", "Mingyu Li", "Yusong Wang", "Xinheng He", "Nanning Zheng", "Jian Zhang", "Pheng-Ann Heng" ]
[ "cs.LG", "cs.AI", "q-bio.QM" ]
[ "Computer Science", "Biology" ]
2024-07-08T00:00:00
https://arxiv.org/abs/2407.12053
https://arxiv.org/pdf/2407.12053v1
2407.12053
10.48550/arXiv.2407.12053
12
1
false
null
arXiv.org
0.2785
d6c6830be78d7dbfbc3d99e11f933fedbd8bc9dfd894f95e89db388a079bd5c2
[ "arxiv", "semantic_scholar" ]
Manipulating language models' training data to study syntactic constraint learning: the case of English passivization
Grammatical rules in natural languages are often characterized by exceptions. How do language learners learn these exceptions to otherwise general patterns? Here, we study this question through the case study of English passivization. While passivization is in general quite productive, there are cases where it cannot a...
[ "Cara Su-Yi Leong", "Tal Linzen" ]
[ "cs.CL" ]
[ "Computer Science" ]
2024-07-05T00:00:00
https://arxiv.org/abs/2407.04593
https://arxiv.org/pdf/2407.04593v3
2407.04593
null
11
0
false
null
null
0.2698
3e0bbbe4273350a1b1dff04066f7614248bc2760c86e92bc075e5ee8e0f6d3d9
[ "arxiv", "semantic_scholar" ]
Open foundation models for Azerbaijani language
The emergence of multilingual large language models has enabled the development of language understanding and generation systems in Azerbaijani. However, most of the production-grade systems rely on cloud solutions, such as GPT-4. While there have been several attempts to develop open foundation models for Azerbaijani,...
[ "Jafar Isbarov", "Kavsar Huseynova", "Elvin Mammadov", "Mammad Hajili", "Duygu Ataman" ]
[ "cs.CL" ]
[ "Computer Science" ]
2024-07-02T00:00:00
https://arxiv.org/abs/2407.02337
https://arxiv.org/pdf/2407.02337v2
2407.02337
10.48550/arXiv.2407.02337
4
1
true
null
null
0.1747
e04788c820c9992ab035a8b08bf2becb131cecd0c320ac264e225b1cc0c06f65
[ "arxiv", "semantic_scholar" ]
Exploring Advanced Large Language Models with LLMsuite
This tutorial explores the advancements and challenges in the development of Large Language Models (LLMs) such as ChatGPT and Gemini. It addresses inherent limitations like temporal knowledge cutoffs, mathematical inaccuracies, and the generation of incorrect information, proposing solutions like Retrieval Augmented Ge...
[ "Giorgio Roffo" ]
[ "cs.CL", "cs.CV" ]
[ "Computer Science" ]
2024-07-01T00:00:00
https://arxiv.org/abs/2407.12036
https://arxiv.org/pdf/2407.12036v2
2407.12036
10.13140/RG.2.2.11774.80963
6
0
true
null
arXiv.org
0.2113
36675636f0e114873de41e718122d605bfb98b4d3e1150af8df25b5a36ceb1b9
[ "arxiv", "semantic_scholar" ]
DCI: An Accurate Quality Assessment Criteria for Protein Complex Structure Models
The structure of proteins is the basis for studying protein function and drug design. The emergence of AlphaFold 2 has greatly promoted the prediction of protein 3D structures, and it is of great significance to give an overall and accurate evaluation of the predicted models, especially the complex models. Among the ex...
[ "Wenda Wang", "Jiaqi Zhai", "He Huang", "Xinqi Gong" ]
[ "q-bio.BM", "math.OC" ]
[ "Biology", "Mathematics" ]
2024-06-30T00:00:00
https://arxiv.org/abs/2407.00560
https://arxiv.org/pdf/2407.00560v1
2407.00560
null
0
0
false
null
null
0
e47404aa57488ae73b9a1bb36219e8421a0655ed46edc2c12085808125de508f
[ "arxiv", "semantic_scholar" ]
ProtSolM: Protein Solubility Prediction with Multi-modal Features
Understanding protein solubility is essential for their functional applications. Computational methods for predicting protein solubility are crucial for reducing experimental costs and enhancing the efficiency and success rates of protein engineering. Existing methods either construct a supervised learning scheme on sm...
[ "Yang Tan", "Jia Zheng", "Liang Hong", "Bingxin Zhou" ]
[ "q-bio.QM" ]
[ "Biology", "Computer Science" ]
2024-06-28T00:00:00
https://arxiv.org/abs/2406.19744
https://arxiv.org/pdf/2406.19744v1
2406.19744
10.1109/BIBM62325.2024.10822310
19
1
false
null
IEEE International Conference on Bioinformatics and Biomedicine
0.3253
355c1431b3f4837cf02a6d170d62ef13c87af018dc192db0d6e01c92fcecf22c
[ "arxiv", "semantic_scholar" ]
Accurate Prediction of Ligand-Protein Interaction Affinities with Fine-Tuned Small Language Models
We describe the accurate prediction of ligand-protein interaction (LPI) affinities, also known as drug-target interactions (DTI), with instruction fine-tuned pretrained generative small language models (SLMs). We achieved accurate predictions for a range of affinity values associated with ligand-protein interactions on...
[ "Ben Fauber" ]
[ "cs.LG", "cs.AI", "cs.CL" ]
[ "Computer Science" ]
2024-06-27T00:00:00
https://arxiv.org/abs/2407.00111
https://arxiv.org/pdf/2407.00111v1
2407.00111
10.48550/arXiv.2407.00111
2
0
false
null
arXiv.org
0.1193
196bc02db178f8c3c7c0932f529b00bab8ad6aa19c4f49e269cff9d4632d372f
[ "arxiv", "semantic_scholar" ]
Evaluating representation learning on the protein structure universe
We introduce ProteinWorkshop, a comprehensive benchmark suite for representation learning on protein structures with Geometric Graph Neural Networks. We consider large-scale pre-training and downstream tasks on both experimental and predicted structures to enable the systematic evaluation of the quality of the learned ...
[ "Arian R. Jamasb", "Alex Morehead", "Chaitanya K. Joshi", "Zuobai Zhang", "Kieran Didi", "Simon V. Mathis", "Charles Harris", "Jian Tang", "Jianlin Cheng", "Pietro Lio", "Tom L. Blundell" ]
[ "cs.LG", "q-bio.BM" ]
[ "Medicine", "Computer Science", "Biology" ]
2024-06-19T00:00:00
https://arxiv.org/abs/2406.13864
https://arxiv.org/pdf/2406.13864v1
2406.13864
10.48550/arXiv.2406.13864
27
4
true
null
International Conference on Learning Representations
0.3618
9f42597c089362eae68e2ebbfc6a07517e1edacf5224f5c59225bb32ee1ff845
[ "arxiv", "semantic_scholar" ]
Evaluating Large Language Models along Dimensions of Language Variation: A Systematik Invesdigatiom uv Cross-lingual Generalization
While large language models exhibit certain cross-lingual generalization capabilities, they suffer from performance degradation (PD) on unseen closely-related languages (CRLs) and dialects relative to their high-resource language neighbour (HRLN). However, we currently lack a fundamental understanding of what kinds of ...
[ "Niyati Bafna", "Kenton Murray", "David Yarowsky" ]
[ "cs.CL" ]
[ "Computer Science" ]
2024-06-19T00:00:00
https://arxiv.org/abs/2406.13718
https://arxiv.org/pdf/2406.13718v2
2406.13718
10.48550/arXiv.2406.13718
8
0
false
null
Conference on Empirical Methods in Natural Language Processing
0.2386
bfb628fbc9ae9b3728b634fe909f2f625981e680c653a8e6948e514a3bcf4870
[ "arxiv", "semantic_scholar" ]
FoldToken2: Learning compact, invariant and generative protein structure language
The equivalent nature of 3D coordinates has posed long term challenges in protein structure representation learning, alignment, and generation. Can we create a compact and invariant language that equivalently represents protein structures? Towards this goal, we propose FoldToken2 to transfer equivariant structures into...
[ "Zhangyang Gao", "Cheng Tan", "Stan Z. Li" ]
[ "q-bio.BM", "cs.AI", "cs.LG" ]
[ "Biology", "Computer Science" ]
2024-06-11T00:00:00
https://arxiv.org/abs/2407.00050
https://arxiv.org/pdf/2407.00050v1
2407.00050
10.1101/2024.06.11.598584
6
0
false
null
bioRxiv
0.2113
9c17e11331649c12fe84d71b53786165dacd92a8914d0ea2c762f5f0d517af05
[ "arxiv", "semantic_scholar" ]
A Fine-tuning Dataset and Benchmark for Large Language Models for Protein Understanding
The parallels between protein sequences and natural language in their sequential structures have inspired the application of large language models (LLMs) to protein understanding. Despite the success of LLMs in NLP, their effectiveness in comprehending protein sequences remains an open question, largely due to the abse...
[ "Yiqing Shen", "Zan Chen", "Michail Mamalakis", "Luhan He", "Haiyang Xia", "Tianbin Li", "Yanzhou Su", "Junjun He", "Yu Guang Wang" ]
[ "q-bio.QM", "cs.AI", "cs.CL", "cs.LG" ]
[ "Computer Science", "Biology" ]
2024-06-08T00:00:00
https://arxiv.org/abs/2406.05540
https://arxiv.org/pdf/2406.05540v2
2406.05540
10.1109/BIBM62325.2024.10821894
30
3
false
null
IEEE International Conference on Bioinformatics and Biomedicine
0.3728
1b491df66514c78c2eb3dc8f7710cb8992db807cf7dbd1a673fc4008fa4c2a63
[ "arxiv", "semantic_scholar" ]
MSAGPT: Neural Prompting Protein Structure Prediction via MSA Generative Pre-Training
Multiple Sequence Alignment (MSA) plays a pivotal role in unveiling the evolutionary trajectories of protein families. The accuracy of protein structure predictions is often compromised for protein sequences that lack sufficient homologous information to construct high quality MSA. Although various methods have been pr...
[ "Bo Chen", "Zhilei Bei", "Xingyi Cheng", "Pan Li", "Jie Tang", "Le Song" ]
[ "q-bio.BM", "cs.AI", "cs.LG" ]
[ "Biology", "Computer Science" ]
2024-06-08T00:00:00
https://arxiv.org/abs/2406.05347
https://arxiv.org/pdf/2406.05347v3
2406.05347
10.1101/2024.06.10.598380
17
2
false
null
bioRxiv
0.3138
d1241cbe57df01b11eb8ec808f8623bb8f89bdd1051acff41109bc2692bc0866
[ "arxiv", "semantic_scholar" ]
Benchmarking AlphaFold3's protein-protein complex accuracy and machine learning prediction reliability for binding free energy changes upon mutation
AlphaFold 3 (AF3), the latest version of protein structure prediction software, goes beyond its predecessors by predicting protein-protein complexes. It could revolutionize drug discovery and protein engineering, marking a major step towards comprehensive, automated protein structure prediction. However, independent va...
[ "JunJie Wee", "Guo-Wei Wei" ]
[ "q-bio.BM", "math.AT", "q-bio.QM" ]
[ "Biology", "Mathematics", "Medicine" ]
2024-06-06T00:00:00
https://arxiv.org/abs/2406.03979
https://arxiv.org/pdf/2406.03979v1
2406.03979
null
23
1
false
null
arXiv.org
0.3451
5684b3f2a90ed51a71b783a90d8f74a047b0320edef40eeba153078ee0de2e90
[ "arxiv", "semantic_scholar" ]
PediatricsGPT: Large Language Models as Chinese Medical Assistants for Pediatric Applications
Developing intelligent pediatric consultation systems offers promising prospects for improving diagnostic efficiency, especially in China, where healthcare resources are scarce. Despite recent advances in Large Language Models (LLMs) for Chinese medicine, their performance is sub-optimal in pediatric applications due t...
[ "Dingkang Yang", "Jinjie Wei", "Dongling Xiao", "Shunli Wang", "Tong Wu", "Gang Li", "Mingcheng Li", "Shuaibing Wang", "Jiawei Chen", "Yue Jiang", "Qingyao Xu", "Ke Li", "Peng Zhai", "Lihua Zhang" ]
[ "cs.CL" ]
[ "Computer Science" ]
2024-05-29T00:00:00
https://arxiv.org/abs/2405.19266
https://arxiv.org/pdf/2405.19266v4
2405.19266
10.48550/arXiv.2405.19266
37
0
true
null
Neural Information Processing Systems
0.3949
eb05d23bacc9aca7ed631e50d6d3635a7a343bfe7ab81fe76e91876643eaf147
[ "arxiv", "semantic_scholar" ]
Boosting Protein Language Models with Negative Sample Mining
We introduce a pioneering methodology for boosting large language models in the domain of protein representation learning. Our primary contribution lies in the refinement process for correlating the over-reliance on co-evolution knowledge, in a way that networks are trained to distill invaluable insights from negative ...
[ "Yaoyao Xu", "Xinjian Zhao", "Xiaozhuang Song", "Benyou Wang", "Tianshu Yu" ]
[ "cs.AI", "cs.CL", "cs.LG" ]
[ "Computer Science" ]
2024-05-28T00:00:00
https://arxiv.org/abs/2405.17902
https://arxiv.org/pdf/2405.17902v2
2405.17902
10.48550/arXiv.2405.17902
1
0
false
null
null
0.0753