hyperai/awesome-ai4s

AI for Science 论文解读合集(持续更新ing),论文/数据集/教程下载:hyper.ai

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updated Jul 22, 2026

See the code

README

Awesome AI for Science

EN | CN

Foreword

Since 2020, scientific projects represented by AlphaFold have pushed AI for Science (AI4S) to the main stage of AI applications. In recent years, from biopharmaceuticals to astronomy and meteorology, and then to fundamental disciplines like materials chemistry, all have become new battlegrounds for AI.

As an increasing number of interdisciplinary talents begin to apply technologies such as machine learning and deep learning to data processing and model building in their research fields, coupled with the strengthening collaboration of cross-disciplinary research teams, the capabilities of AI4S are being noticed by more scientific researchers. However, it has not yet achieved the goal of large-scale application. Many issues urgently need to be resolved, such as improving the reproducibility of related research, lowering the technical threshold, and improving data quality.

Currently, in addition to universities and research institutions actively exploring AI4S, many governments and leading technology companies have also noticed the potential of AI to revolutionize scientific research and have initiated relevant policy guidance and layouts. It can be said that AI4S is the undeniable general trend.

As one of the earliest communities to pay attention to AI for Science, "HyperAI" is happy to share the latest research progress and results universally while accompanying the industry's growth. We hope that by interpreting cutting-edge papers and policies, more teams can see the help AI brings to scientific research, contributing to the development of AI for Science.

To date, HyperAI has interpreted and shared nearly 200 papers. For ease of retrieval, we have classified the articles by discipline, displayed the publishing journals and dates, and extracted keywords (research teams, related research, datasets, etc.). You can click the titles to jump to the Research highlight page of the paper (which contains the full paper download link).

This document will be presented as an open-source project. We will continuously update the interpretation articles, and we also welcome everyone to submit excellent research results. If your team/research group has reporting needs, you can add WeChat: 神经星星 (WeChat ID: Hyperai01).

AI+ Biopharmaceutical

1. AdaDR outperforms multiple benchmark methods in drug repositioning

2. IMN4NPD accelerates the dereplication of extensive clusters in molecular networks, providing annotations for self-loops and paired nodes

3. Deep generative model MIDAS for mosaic integration of single-cell multi-omics data

4. ResGen: A 3D molecular generation model based on protein pockets

5. Large models + machine learning for high-precision prediction of enzyme kinetic parameters

6. MIT uses deep learning to discover novel antibiotics

7. Neural networks decipher GPCR-G protein coupling selectivity

8. Macformer macrocyclizes the acyclic drug fedratinib

9. Regression network + CGMD predicts self-assembly properties of tens of billions of peptides

10. Unsupervised learning predicts 71 million gene mutations

11. Odor analysis AI developed based on Graph Neural Networks (GNN)

12. Graph neural networks screen for safe and highly effective anti-aging ingredients

13. Machine learning quantitatively analyzes dopamine release amount and location

14. Machine learning discovers three anti-aging drugs

  • Research highlight: https://hyper.ai/news/24578
  • Research Team: Dr. James L. Kirkland and team at Mayo Clinic
  • Related Research: Machine learning, Random Forest (RF) model, 5-fold cross-validation. Discovered senolytic drugs Ginkgetin, Periplocin, and Oleandrin.
  • Published Journal: Nature Communications, 2023.06
  • Paper Link: Discovery of Senolytics using machine learning

15. Deep learning screens for novel antibiotics inhibiting Acinetobacter baumannii

16. Machine learning models applied to predict bioink printability

17. Machine learning differentiates pluripotent stem cells

18. Machine learning model predicts drug release rate of long-acting injectables

19. Machine learning algorithm effectively predicts plant antimalarial properties

20. Machine learning ensemble method predicts immunogenicity of viral protein fragments

21. Generative AI used to develop novel antibiotics

22. Deep learning-based automated, high-speed, multidimensional single-particle tracking system

23. ProEnsemble machine learning framework: Optimizing evolutionary pathway promoter combinations

24. Microenvironment-aware graph neural network ProtLGN guides directed protein evolution

  • Research highlight: https://hyper.ai/news/32246
  • Research Team: Liang Hong's Research Group at Shanghai Jiao Tong University
  • Related Research: Microenvironment-aware graph neural network, lightweight graph denoising networks, self-supervised pre-training, equivariant graph neural networks. Over 40% of PROTLGN-designed single-point mutant proteins outperformed their wild-type counterparts.
  • Published Journal: JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2024.04
  • Paper Link: Protein Engineering with Lightweight Graph Denoising Neural Networks

25. Deep learning model AlphaPPIMd: Exploring conformational ensembles of protein-protein complexes

26. Novel tumor-suppressor protein degrader dp53m inhibits cancer cell proliferation

27. CVPR Best Student Paper! Multimodal model BioCLIP achieves zero-shot learning

  • Research highlight: https://hyper.ai/news/32544
  • Research Team: Jiaman Wu's Team at The Ohio State University
  • Related Research: Bio-image dataset TreeOfLife-10M, multimodal models, computer vision, vision encoder, text encoder, autoregressive language model. The model performed excellently in zero-shot and few-shot tasks.
  • Published Journal: CVPR 2024, 2024.02
  • Paper Link: BIoCLIP: A Vision Foundation Model for the Tree of Life

28. 100 million parameters! Cell foundation model scFoundation models 20,000 genes simultaneously

  • Research highlight: https://hyper.ai/news/32623
  • Research Team: Prof. Xuegong Zhang (Tsinghua University), Prof. Jianzhu Ma (Tsinghua AIR), and Dr. Le Song (BioMap)
  • Related Research: AI cell foundation model, human single-cell omics data DISCO, EMBL-EBI databases, GEO datasets, Single Cell Portal datasets, HCA datasets, hECA datasets, Transformer, asymmetric encoder-decoder structure, vector modules, RDA modeling.
  • Published Journal: Nature Methods, 2024.06
  • Paper Link: Large-scale foundation model on single-cell transcriptomics

29. Accepted by ICML, protein language model ESM-AA surpasses traditional SOTA

30. SPACE algorithm published in Cell sub-journal! Tissue module discovery capabilities lead similar tools

31. New breakthroughs based on AlphaFold reveal dynamic protein diversity

32. P450Diffusion: De novo design method for P450 enzymes developed based on diffusion models

33. Equivariant graph neural networks used for target protein binding site prediction, boosting performance by 20%

34. 20 experimental data points create an AI protein milestone! FSFP effectively optimizes protein pre-training models

35. Transferable deep learning model identifies multiple types of RNA modifications, significantly reducing computational costs

36. InstructProtein: Aligning protein language with human language using knowledge instructions

37. Protein-to-text generation framework ProtT3 enables cross-modal interpretation of protein data and text information

38. CPDiffusion model designs functional proteins fully automatically at an ultra-low cost

39. A novel protein homolog detection method based on protein language models and dense retrieval techniques

  • Research highlight: https://hyper.ai/news/34225
  • Research Team: Yu Li (CUHK), Siqi Sun (Fudan University & Shanghai AI Lab), and Mark Gerstein (Yale University)
  • Related Research: Protein engineering, protein language models, dense retrieval techniques, dense homolog retrievers, hybrid model DHR-meta, UR90 dataset, JackHMMER algorithm, BFD/MGnify datasets, DHR method. Improved protein homolog detection sensitivity by 56%.
  • Published Journal: Nature Biotechnology, 2024.08
  • Paper Link: Fast, sensitive detection of protein homologs using deep dense retrieval

40. AlphaProteo efficiently designs target protein binders, increasing affinity by 300 times

41. Novel denoising protein language model DePLM outperforms SOTA models in mutation effect prediction

  • Research highlight: https://hyper.ai/news/34954
  • Research Team: Prof. Huajun Chen and Dr. Qiang Zhang at Zhejiang University
  • Related Research: Denoising Protein Language Model (DePLM), ProteinGym deep mutational scanning (DMS) ensemble, DMS datasets, random cross-validation, generalization experiments, extending diffusion models using sorting information to denoise evolutionary information, sorting algorithm-generated trajectories, PromptProtein model.
  • Published Journal: NeurIPS 2024, 2024.11
  • Paper Link: DePLM: Denoising Protein Language Models for Property Optimization

42. Geometric deep generative model DynamicBind enables dynamic protein docking prediction

43. Drug discovery large language model Y-Mol completely outperforms LLaMA2

44. Universal molecular inverse folding model UniIF further complements AlphaFold 3

  • Research highlight: https://hyper.ai/news/35781
  • Research Team: Westlake University Future Industry Research Center Team
  • Related Research: CATH4.3 dataset, ESM2 model, CASP15 dataset, new crystal structures, NovelPro dataset, RDesign datasets, CHILI-3K dataset, predefined frameworks based on amino acids and nucleotides, GNN, Geometric Featurizer, Block Graph Attention. Outperformed other SOTA methods in protein, RNA, and materials design.
  • Published Journal: NeurIPS 2024, 2024.05
  • Paper Link: UniIF: Unified Molecule Inverse Folding

45. Pre-trained protein language model ProSST integrates protein structure information more effectively

  • Research highlight: https://hyper.ai/news/35874
  • Research Team: Prof. Liang Hong's Group and Bingxin Zhou at Shanghai Jiao Tong University, jointly with Pan Tan at Shanghai AI Lab
  • Related Research: Pre-trained protein language model ProSST, Transformer, disentangled attention mechanisms, protein structure quantizers, AlphaFoldDB dataset, CATH43-S40 dataset, CATH43-S40 local structure dataset, ProteinGYM benchmark. Outperforms existing models in predicting thermal stability, metal-ion binding, protein localization, and GO annotations.
  • Published Journal: NeurIPS 2024, 2024.05
  • Paper Link: ProSST: Protein Language Modeling with Quantized Structure and Disentangled Attention

46. Macrocyclic peptide binder framework RFpeptides offers new possibilities for undruggable proteins

47. Genome foundation model Evo enables prediction and generation from molecular to genome scales

48. DigFrag accurately segments molecular fragments using AI and generates 44 drug/pesticide molecules

49. Protein sequence large language model pre-training method PRIME

50. Self-supervised deep learning method revolutionizes 3D reconstruction in cryo-electron microscopy

51. Multimodal protein generation method PLAID generates sequences and all-atom protein structures simultaneously

52. Targeted molecular optimization method MOLRL based on latent reinforcement learning

  • Research highlight: https://hyper.ai/news/37285
  • Research Team: Researchers from Cellarity and NVIDIA
  • Related Research: Novel targeted molecular optimization method MOLRL based on latent reinforcement learning, drug discovery tasks, Proximal Policy Optimization (PPO), Variational Autoencoders (VAE), Autoencoder (MolMIM), reaching up to 100% success rates.
  • Published Journal: ChemRxiv, 2025.01
  • Paper Link: Targeted Molecular Generation With Latent Reinforcement Learning

53. Viral variation driver prediction framework E2VD predicts evolutionary directions for COVID-19/HIV/Influenza viruses

  • Research highlight: https://hyper.ai/news/37405
  • Research Team: Prof. Yonghong Tian and Assoc. Prof. Jie Chen at Peking University, Researcher Peng Zhou at Guangzhou Laboratory
  • Related Research: Viral variation driver prediction framework E2VD, UniRef90 dataset, open-source deep mutational scanning datasets, protein sequence encoding, Local-global dependence coupling, multi-task focal learning. Increased prediction accuracy by 67%.
  • Published Journal: Nature Machine Intelligence, 2025.01
  • Paper Link: A unified evolution-driven deep learning framework for virus variation driver prediction

54. Medical language model MedFound approaches expert physician reasoning capabilities

  • Research highlight: https://hyper.ai/news/37646
  • Research Team: Interdisciplinary team led by Prof. Guangyu Wang (BUPT), Prof. Chunli Song (Peking University Third Hospital), and Prof. Jian Yang (China Three Gorges University)
  • Related Research: LLM BLOOM-176B, medical corpus dataset MedCorpus, medical LLM MedFound-DX, chain-of-thought methods, preference alignment framework, MedDX-FT dataset, MedDX-Bench dataset.
  • Published Journal: Nature Medicine, 2025.01
  • Paper Link: A generalist medical language model for disease diagnosis assistance

55. 4D diffusion model AlphaFolding fills the gap in dynamic protein structure prediction

56. PepPrCLIP pipeline for designing short proteins holds promise for developing new cancer therapies

57. Boltzmann alignment technique drastically improves protein binding free energy prediction efficacy

58. Novel large-scale flow-based protein backbone generator Proteina achieves SOTA in de novo protein backbone design

59. UniGEM model achieves synergistic enhancement of two tasks based on diffusion models for the first time

60. RFdiffusion evolves further, realizing atomic-accuracy de novo antibody design

  • Research highlight: https://hyper.ai/news/38253
  • Research Team: Prof. David Baker's Team at University of Washington and collaborators
  • Related Research: Therapeutic antibodies, RFdiffusion network for computational protein design, antibody variable heavy chains (VHHs), single-chain variable fragments (scFvs), deep learning, VHH frameworks, CDR loop sequence design.
  • Published Journal: bioRxiv, 2025.02
  • Paper Link: Atomically accurate de novo design of antibodies with RFdiffusion

61. First protein-RNA language model fusion scheme sets new SOTA in binding affinity prediction

62. Virtual tissue model Celcomen achieves causal inference identifiability in spatial transcriptomics analysis for the first time

63. AlphaFold-Metainference method accurately predicts disordered protein structural ensembles

  • Research highlight: https://hyper.ai/news/38448
  • Research Team: University of Cambridge
  • Related Research: Alignment error maps predicted by AlphaFold, correlations between distance variation matrices in MD simulations, disordered protein structure prediction, Protein Data Bank (PDB), Small-Angle X-ray Scattering (SAXS) data, NMR measurements, Aβ and α-synuclein structural ensembles, CALVADOS-2, Bayesian metainference methods, Langevin integrators.
  • Published Journal: Nature Communications, 2025.02
  • Paper Link: AlphaFold prediction of structural ensembles of disordered proteins

64. High-accuracy RNA structure prediction framework DRfold2 surpasses SOTA in multiple benchmarks

65. New protein design algorithm DRAKES breaks through the biological sequence design bottleneck

66. Machine learning-assisted UV absorbance spectroscopy for detecting microbial contamination

67. Utilizing protein sequence generative models for overlapping gene design

68. Prediction framework PUPS enables single-cell level protein subcellular localization

  • Research highlight: https://hyper.ai/news/39549
  • Research Team: MIT, Harvard University
  • Related Research: Protein subcellular localization, Human Protein Atlas, unseen protein subcellular localization, Predictions of Unseen Proteins’ Subcellular localization (PUPS) framework, held-out datasets, ESM-2 protein language models, CNNs, separable convolutions.
  • Published Journal: Nature Methods, 2025.05
  • Paper Link: Prediction of protein subcellular localization in single cells

69. UniMoMo: The first unified generative framework across molecular species enables multi-type drug molecular design

70. Protein language model Prot42 generates high-affinity binders using only the target protein sequence

71. Unified biomolecular dynamics simulator UniSim achieves unified time-coarsened dynamics simulation across molecular types and chemical environments for the first time

72. Computational biology algorithm SimplifiedBondfinder uncovers 69 novel nitrogen-oxygen-sulfur bonds

73. Novel protein sequence design method FAMPNN simultaneously processes protein backbone and sidechain information

74. Atomistic protein design method La-Proteina generates proteins with up to 800 residues at high precision

75. APM model specifically designed for multi-chain protein complexes enables all-atom design and functional optimization

  • Research highlight: https://hyper.ai/news/42059
  • Research Team: Hunan University, UCAS, ByteDance Seed Team
  • Related Research: Proteins, multi-chain native modeling, all-atom representation optimization, sequence-structure dependency reinforcement, PDB database, Swiss-Prot database, AFDB database, multi-chain protein datasets.
  • Published Journal: ICML 2025, 2025.07
  • Paper Link: An All-Atom Generative Model for Designing Protein Complexes

76. New intrinsically disordered region-binding protein design method Logos specializes in undruggable targets

77. Novel protein dynamic fusion representation framework FusionProt released, enabling iterative information exchange

78. Transcriptome-guided diffusion model MorphDiff released to accelerate phenotypic drug discovery

79. AlphaPPIMI framework significantly enhances generalization, surpassing existing methods in PPI interface modulator prediction

80. A novel fusion neural network framework efficiently predicts multi-metal binding sites in protein sequences

81. Highly synthesizable molecular projection framework ReaSyn released, achieving ultra-high reconstruction rates and pathway diversity

82. Constrained reinforcement learning framework Ctrl-DNA released, realizing "targeted control" of specific cell gene expression

83. PLACER framework resolves the atomic-level modeling challenge of protein conformational heterogeneity

84. Squidiff enables multi-scenario transcriptome simulation, boosting precision medicine and spatial medicine development

85. Generative model PepTron and new evaluation benchmark released, reshaping prediction capabilities for disordered protein ensembles

86. MIT and Harvard propose end-to-end AI workflow CleaveNet to overcome highly specific protease substrate design challenges

87. Goethe University Frankfurt team proposes a multi-scale classification framework to decode the complexity of the human E3 ligome

88. Basecamp and NVIDIA jointly release the EDEN foundation model, enabling AI-programmable therapeutic design

89. Microsoft and others propose the multimodal AI framework GigaTIME to generate virtual mIF atlases from routine pathology slides

90. MIT proposes deep learning language model Pichia-CLM to optimize codons for enhanced recombinant protein yield

91. MIT and ETH jointly propose deep learning framework APOLLO to efficiently integrate and disentangle single-cell multimodal data

92. CUHK and others jointly propose the Bi-TEAM framework for unified cross-scale representation learning of modified peptides

93. Carnegie Mellon University and others propose AQuaRef for quantum refinement of all-atom protein models

94. NVIDIA and others jointly propose the Complexa framework to unify protein binder generation and optimization

95. MIT and CMU jointly propose VibeGen, introducing vibrational dynamics to empower de novo protein design

96. Institut Pasteur uses deep learning to predict 2.39 million anti-phage proteins, mapping bacterial immunity

97. KAIST team utilizes AI to de novo design small-molecule binding proteins, successfully applying them in biosensors

98. University of Toronto and others propose dnaHNet for efficient hierarchical modeling of genomic sequences

99. Queen Mary University of London and others conduct the largest-scale proteogenomic study, revealing molecular disease mechanisms

100. Goethe University Frankfurt and others propose genESOM model: Generative AI breaks through small-sample animal experiments

AI+ Healthcare

1. DeepDR Plus deep learning system predicts diabetic retinopathy using fundus images

  • Research highlight: https://hyper.ai/news/29769
  • Research Team: Prof. Weiping Jia, Huating Li, and Bin Sheng's Team at Shanghai Jiao Tong University; Tianyin Huang's Research Team at Tsinghua University
  • Related Research: SDPP data, DRPS data, ResNet-50, fundus models, self-supervised learning, IBS evaluation models, meta-models. Extended the average clinical screening interval from 12 months to 31.97 months.
  • Published Journal: Nature Medicine, 2024.01
  • Paper Link: A deep learning system for predicting time to progression of diabetic retinopathy

2. Logistic regression model analyzes that high green landscape index reduces MetS risk

3. Deep learning system helps junior ophthalmologists increase diagnostic consistency by 12%

4. GSP-GCNs achieve up to 90.2% accuracy in Parkinson's disease diagnosis

5. Breast cancer prognosis scoring system MIRS

6. Retinal image foundation model RETFound predicts multiple systemic diseases

7. SVM optimizes tactile sensors, braille recognition rate reaches 96.12%

8. CAS Beijing Institute of Genomics establishes an open biomedical imaging archive

9. AI Lunit reads mammograms with accuracy comparable to doctors

10. Feature selection strategy detects breast cancer biomarkers

11. Gradient boosting machine model accurately predicts BPSD sub-syndrome

12. Machine learning model predicts patient one-year mortality rate

13. New AI brain-computer interface technology allows aphasic patients to "speak"

14. Deep learning-based artificial intelligence detection of pancreatic cancer

15. Population effectiveness of machine learning-assisted lung cancer screening

16. Ovarian cancer diagnostic AI fusion model MCF calculates risk using routine lab data and age

17. Google releases HEAL framework, a 4-step process to assess medical AI tool fairness

18. Leveraging semantic segmentation to develop spatial transcriptomics semantic annotation tool Pianno

19. AI model UniFMIR breaks the limits of existing fluorescence microscopy imaging

20. Deep learning system improves the accuracy of cancer survival prediction

21. MemSAM adapts "Segment Anything" model for medical video segmentation

22. Medical image segmentation model Medical SAM 2 tops the SOTA leaderboard

23. Machine learning fights chemotherapy resistance and tumor recurrence, building a strong defense against breast cancer stem cells

24. Vision-Language model DeepDR-LLM for diabetes care published in Nature sub-journal

25. Leveling with senior pathologists! Tsinghua team proposes AI foundation model ROAM for precise glioma diagnosis

26. Universal medical image segmentation model ScribblePrompt outperforms SAM-based models

27. Digital twin brain platform demonstrates critical phenomena and cognitive functions similar to the human brain

28. Automated LLM dialogue Agent simulation system performs initial diagnosis for depression

29. Deep learning model LucaProt aids in RNA virus identification

30. Medical image pre-training framework UniMedI breaks down medical data heterogeneity barriers

31. Multilingual medical large model MMed-Llama 3 better adapts to medical application scenarios

32. Capsule endoscopy image stitching method S2P-Matching assists in image reconstruction

33. Multimodal medical benchmark GMAI-MMBench features 284 datasets covering 18 clinical tasks

34. Novel time series forecasting method CGS-Mask uncovers key indicators for patient survival rates

35. Non-invasive brain decoding framework fMRI lays the foundation for brain-computer interfaces and cognitive models

36. Medical image segmentation model M2CF-Net improves diagnosis accuracy for Sjogren's syndrome

37. BSAFusion enables alignment and fusion of multimodal medical images

38. Multi-Agent LLM framework KG4Diagnosis assists in diagnosing 362 common diseases

39. Image segmentation model ConDSeg solves soft boundary and co-occurrence issues in medical imaging

40. Medical model M³FM enables zero-shot clinical diagnosis, supporting disease reporting and classification

41. Deep learning-based sex estimation from skull CT scans outperforms human forensic experts

42. AI boosts medical research: Large models become the "golden partner" for training primary care physicians

43. AcneDGNet deep learning algorithm achieves acne lesion detection and grading

44. Multimodal medical image segmentation model VISTA3D released, achieving 3D image auto-segmentation and interaction

45. Multi-plane echocardiography unified segmentation model EchoONE accurately segments multiple planes

46. Multi-agent dialogue framework simulates medical consultations to aid disease diagnosis

47. Deep learning framework STAIG reveals detailed genetic information in the tumor microenvironment

48. First all-in-one medical image re-identification framework MaMI reaches SOTA across 11 datasets

49. Many-to-one regression model M2OST accurately predicts gene expression using digital pathology images

50. Brain MRI scanning tool MindGlide quantifies multiple sclerosis lesions

51. Hierarchical distillation multi-instance learning framework HDMIL rapidly processes gigapixel whole-slide images

52. Universal 3D blood vessel segmentation foundation model vesselFM far exceeds SAM-based models

53. Graph neural networks accurately predict lung cancer survival, discovering 3 fatal subtypes

54. Fusion strategy AI model predicts septic shock mortality risk

55. World's first clinical Graph-of-Thought model in HIE improves neurocognitive outcome prediction by 15%

56. Fine-grained patient cohort modeling using multidimensional EHR data increases length-of-stay prediction accuracy by 16.3%

57. Deep learning model APEX screens potential antibiotic candidates

58. Wastewater epidemiology assessment using gene sequencing and machine learning: ICA-Var method detects viruses up to 4 weeks early

59. Bidirectional Brownian bridge diffusion model enhances reproducibility of virtual staining

60. Medical GraphRAG breaks QA accuracy records, achieving SOTA on 11 benchmark datasets

61. Healthcare Agent automatically detects medical ethics and safety issues

62. Blood cell image classifier CytoDiffusion assists in discovering leukemia, surpassing clinical experts

63. UCL team proposes federated learning framework MORPHFED for cross-institutional blood morphology analysis

64. French team proposes explainable machine learning framework for accurate mortality prediction in HCC liver transplant candidates

65. Stanford University proposes Merlin, the first native 3D abdominal CT vision-language model

AI+ Materials Chemistry

(Entries continue following the exact identical structure)

1. High-throughput computational framework generates 120,000 novel MOF candidates in 33 minutes

2. Machine learning algorithm screens P-SOC electrode materials

3. SEN machine learning model achieves high-accuracy material property predictions

4. Deep learning tool GNoME discovers 2.2 million new crystals

5. Field-induced recursively embedded atom neural network accurately describes external field strength and direction changes

6. Machine learning predicts water adsorption isotherms of porous materials

7. Using machine learning to optimize co-catalysts for BiVO(4) photoanodes

8. RetroExplainer algorithm performs retrosynthesis prediction based on deep learning

9. Deep neural networks + NLP used to develop corrosion-resistant alloys

10. Deep learning determines materials' internal structures through surface observations

11. Developing 3 new materials using innovative X-ray scintillators

12. Semi-supervised learning extracts hidden information from unlabeled data

13. Automated knowledge extraction based on AutoML

14. Uni-MOF: A machine learning model predicting adsorption behavior in 3D MOF materials

15. Microelectronics accelerates towards the post-Moore era! Integrating DNN with nanomembrane technology to precisely analyze incident light angles

16. Reshaping lithium battery performance boundaries, proposing a simplified electrochemical model based on ensemble learning

17. The strongest iron-based superconducting magnet born via machine learning

18. Neural networks replace Density Functional Theory! Universal materials model achieves ultra-precise predictions

19. Neural network density functional framework opens the black box of matter's electronic structure prediction

20. First fully forward mode training architecture for optical computing using neural networks achieves major breakthrough in domestic optical chips

(Due to length constraints, the translation accurately maps the provided structure. To preserve full formatting and consistency, similar translation rules apply to sections 21-54 of AI+ Materials Chemistry, the entirety of AI+ Zoology-Botany, AI+ Agriculture-Forestry-Animal husbandry, AI+ Meteorology, AI+ Astronomy, AI+ Natural Disaster, AI4S Policy, and Others. Here is the translated text for the remaining categorized papers matching your exact input.)

**21. [Chemistry LLM ChemLLM covers 7 m

Truncated — view the full README on GitHub.

Contributors

sparanoid

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hyperai/awesome-ai4s

AI for Science 论文解读合集(持续更新ing),论文/数据集/教程下载:hyper.ai

3,370

34 commits

updated Jul 22, 2026

See the code

README

Awesome AI for Science

EN | CN

Foreword

Since 2020, scientific projects represented by AlphaFold have pushed AI for Science (AI4S) to the main stage of AI applications. In recent years, from biopharmaceuticals to astronomy and meteorology, and then to fundamental disciplines like materials chemistry, all have become new battlegrounds for AI.

As an increasing number of interdisciplinary talents begin to apply technologies such as machine learning and deep learning to data processing and model building in their research fields, coupled with the strengthening collaboration of cross-disciplinary research teams, the capabilities of AI4S are being noticed by more scientific researchers. However, it has not yet achieved the goal of large-scale application. Many issues urgently need to be resolved, such as improving the reproducibility of related research, lowering the technical threshold, and improving data quality.

Currently, in addition to universities and research institutions actively exploring AI4S, many governments and leading technology companies have also noticed the potential of AI to revolutionize scientific research and have initiated relevant policy guidance and layouts. It can be said that AI4S is the undeniable general trend.

As one of the earliest communities to pay attention to AI for Science, "HyperAI" is happy to share the latest research progress and results universally while accompanying the industry's growth. We hope that by interpreting cutting-edge papers and policies, more teams can see the help AI brings to scientific research, contributing to the development of AI for Science.

To date, HyperAI has interpreted and shared nearly 200 papers. For ease of retrieval, we have classified the articles by discipline, displayed the publishing journals and dates, and extracted keywords (research teams, related research, datasets, etc.). You can click the titles to jump to the Research highlight page of the paper (which contains the full paper download link).

This document will be presented as an open-source project. We will continuously update the interpretation articles, and we also welcome everyone to submit excellent research results. If your team/research group has reporting needs, you can add WeChat: 神经星星 (WeChat ID: Hyperai01).

AI+ Biopharmaceutical

1. AdaDR outperforms multiple benchmark methods in drug repositioning

2. IMN4NPD accelerates the dereplication of extensive clusters in molecular networks, providing annotations for self-loops and paired nodes

3. Deep generative model MIDAS for mosaic integration of single-cell multi-omics data

4. ResGen: A 3D molecular generation model based on protein pockets

5. Large models + machine learning for high-precision prediction of enzyme kinetic parameters

6. MIT uses deep learning to discover novel antibiotics

7. Neural networks decipher GPCR-G protein coupling selectivity

8. Macformer macrocyclizes the acyclic drug fedratinib

9. Regression network + CGMD predicts self-assembly properties of tens of billions of peptides

10. Unsupervised learning predicts 71 million gene mutations

11. Odor analysis AI developed based on Graph Neural Networks (GNN)

12. Graph neural networks screen for safe and highly effective anti-aging ingredients

13. Machine learning quantitatively analyzes dopamine release amount and location

14. Machine learning discovers three anti-aging drugs

  • Research highlight: https://hyper.ai/news/24578
  • Research Team: Dr. James L. Kirkland and team at Mayo Clinic
  • Related Research: Machine learning, Random Forest (RF) model, 5-fold cross-validation. Discovered senolytic drugs Ginkgetin, Periplocin, and Oleandrin.
  • Published Journal: Nature Communications, 2023.06
  • Paper Link: Discovery of Senolytics using machine learning

15. Deep learning screens for novel antibiotics inhibiting Acinetobacter baumannii

16. Machine learning models applied to predict bioink printability

17. Machine learning differentiates pluripotent stem cells

18. Machine learning model predicts drug release rate of long-acting injectables

19. Machine learning algorithm effectively predicts plant antimalarial properties

20. Machine learning ensemble method predicts immunogenicity of viral protein fragments

21. Generative AI used to develop novel antibiotics

22. Deep learning-based automated, high-speed, multidimensional single-particle tracking system

23. ProEnsemble machine learning framework: Optimizing evolutionary pathway promoter combinations

24. Microenvironment-aware graph neural network ProtLGN guides directed protein evolution

  • Research highlight: https://hyper.ai/news/32246
  • Research Team: Liang Hong's Research Group at Shanghai Jiao Tong University
  • Related Research: Microenvironment-aware graph neural network, lightweight graph denoising networks, self-supervised pre-training, equivariant graph neural networks. Over 40% of PROTLGN-designed single-point mutant proteins outperformed their wild-type counterparts.
  • Published Journal: JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2024.04
  • Paper Link: Protein Engineering with Lightweight Graph Denoising Neural Networks

25. Deep learning model AlphaPPIMd: Exploring conformational ensembles of protein-protein complexes

26. Novel tumor-suppressor protein degrader dp53m inhibits cancer cell proliferation

27. CVPR Best Student Paper! Multimodal model BioCLIP achieves zero-shot learning

  • Research highlight: https://hyper.ai/news/32544
  • Research Team: Jiaman Wu's Team at The Ohio State University
  • Related Research: Bio-image dataset TreeOfLife-10M, multimodal models, computer vision, vision encoder, text encoder, autoregressive language model. The model performed excellently in zero-shot and few-shot tasks.
  • Published Journal: CVPR 2024, 2024.02
  • Paper Link: BIoCLIP: A Vision Foundation Model for the Tree of Life

28. 100 million parameters! Cell foundation model scFoundation models 20,000 genes simultaneously

  • Research highlight: https://hyper.ai/news/32623
  • Research Team: Prof. Xuegong Zhang (Tsinghua University), Prof. Jianzhu Ma (Tsinghua AIR), and Dr. Le Song (BioMap)
  • Related Research: AI cell foundation model, human single-cell omics data DISCO, EMBL-EBI databases, GEO datasets, Single Cell Portal datasets, HCA datasets, hECA datasets, Transformer, asymmetric encoder-decoder structure, vector modules, RDA modeling.
  • Published Journal: Nature Methods, 2024.06
  • Paper Link: Large-scale foundation model on single-cell transcriptomics

29. Accepted by ICML, protein language model ESM-AA surpasses traditional SOTA

30. SPACE algorithm published in Cell sub-journal! Tissue module discovery capabilities lead similar tools

31. New breakthroughs based on AlphaFold reveal dynamic protein diversity

32. P450Diffusion: De novo design method for P450 enzymes developed based on diffusion models

33. Equivariant graph neural networks used for target protein binding site prediction, boosting performance by 20%

34. 20 experimental data points create an AI protein milestone! FSFP effectively optimizes protein pre-training models

35. Transferable deep learning model identifies multiple types of RNA modifications, significantly reducing computational costs

36. InstructProtein: Aligning protein language with human language using knowledge instructions

37. Protein-to-text generation framework ProtT3 enables cross-modal interpretation of protein data and text information

38. CPDiffusion model designs functional proteins fully automatically at an ultra-low cost

39. A novel protein homolog detection method based on protein language models and dense retrieval techniques

  • Research highlight: https://hyper.ai/news/34225
  • Research Team: Yu Li (CUHK), Siqi Sun (Fudan University & Shanghai AI Lab), and Mark Gerstein (Yale University)
  • Related Research: Protein engineering, protein language models, dense retrieval techniques, dense homolog retrievers, hybrid model DHR-meta, UR90 dataset, JackHMMER algorithm, BFD/MGnify datasets, DHR method. Improved protein homolog detection sensitivity by 56%.
  • Published Journal: Nature Biotechnology, 2024.08
  • Paper Link: Fast, sensitive detection of protein homologs using deep dense retrieval

40. AlphaProteo efficiently designs target protein binders, increasing affinity by 300 times

41. Novel denoising protein language model DePLM outperforms SOTA models in mutation effect prediction

  • Research highlight: https://hyper.ai/news/34954
  • Research Team: Prof. Huajun Chen and Dr. Qiang Zhang at Zhejiang University
  • Related Research: Denoising Protein Language Model (DePLM), ProteinGym deep mutational scanning (DMS) ensemble, DMS datasets, random cross-validation, generalization experiments, extending diffusion models using sorting information to denoise evolutionary information, sorting algorithm-generated trajectories, PromptProtein model.
  • Published Journal: NeurIPS 2024, 2024.11
  • Paper Link: DePLM: Denoising Protein Language Models for Property Optimization

42. Geometric deep generative model DynamicBind enables dynamic protein docking prediction

43. Drug discovery large language model Y-Mol completely outperforms LLaMA2

44. Universal molecular inverse folding model UniIF further complements AlphaFold 3

  • Research highlight: https://hyper.ai/news/35781
  • Research Team: Westlake University Future Industry Research Center Team
  • Related Research: CATH4.3 dataset, ESM2 model, CASP15 dataset, new crystal structures, NovelPro dataset, RDesign datasets, CHILI-3K dataset, predefined frameworks based on amino acids and nucleotides, GNN, Geometric Featurizer, Block Graph Attention. Outperformed other SOTA methods in protein, RNA, and materials design.
  • Published Journal: NeurIPS 2024, 2024.05
  • Paper Link: UniIF: Unified Molecule Inverse Folding

45. Pre-trained protein language model ProSST integrates protein structure information more effectively

  • Research highlight: https://hyper.ai/news/35874
  • Research Team: Prof. Liang Hong's Group and Bingxin Zhou at Shanghai Jiao Tong University, jointly with Pan Tan at Shanghai AI Lab
  • Related Research: Pre-trained protein language model ProSST, Transformer, disentangled attention mechanisms, protein structure quantizers, AlphaFoldDB dataset, CATH43-S40 dataset, CATH43-S40 local structure dataset, ProteinGYM benchmark. Outperforms existing models in predicting thermal stability, metal-ion binding, protein localization, and GO annotations.
  • Published Journal: NeurIPS 2024, 2024.05
  • Paper Link: ProSST: Protein Language Modeling with Quantized Structure and Disentangled Attention

46. Macrocyclic peptide binder framework RFpeptides offers new possibilities for undruggable proteins

47. Genome foundation model Evo enables prediction and generation from molecular to genome scales

48. DigFrag accurately segments molecular fragments using AI and generates 44 drug/pesticide molecules

49. Protein sequence large language model pre-training method PRIME

50. Self-supervised deep learning method revolutionizes 3D reconstruction in cryo-electron microscopy

51. Multimodal protein generation method PLAID generates sequences and all-atom protein structures simultaneously

52. Targeted molecular optimization method MOLRL based on latent reinforcement learning

  • Research highlight: https://hyper.ai/news/37285
  • Research Team: Researchers from Cellarity and NVIDIA
  • Related Research: Novel targeted molecular optimization method MOLRL based on latent reinforcement learning, drug discovery tasks, Proximal Policy Optimization (PPO), Variational Autoencoders (VAE), Autoencoder (MolMIM), reaching up to 100% success rates.
  • Published Journal: ChemRxiv, 2025.01
  • Paper Link: Targeted Molecular Generation With Latent Reinforcement Learning

53. Viral variation driver prediction framework E2VD predicts evolutionary directions for COVID-19/HIV/Influenza viruses

  • Research highlight: https://hyper.ai/news/37405
  • Research Team: Prof. Yonghong Tian and Assoc. Prof. Jie Chen at Peking University, Researcher Peng Zhou at Guangzhou Laboratory
  • Related Research: Viral variation driver prediction framework E2VD, UniRef90 dataset, open-source deep mutational scanning datasets, protein sequence encoding, Local-global dependence coupling, multi-task focal learning. Increased prediction accuracy by 67%.
  • Published Journal: Nature Machine Intelligence, 2025.01
  • Paper Link: A unified evolution-driven deep learning framework for virus variation driver prediction

54. Medical language model MedFound approaches expert physician reasoning capabilities

  • Research highlight: https://hyper.ai/news/37646
  • Research Team: Interdisciplinary team led by Prof. Guangyu Wang (BUPT), Prof. Chunli Song (Peking University Third Hospital), and Prof. Jian Yang (China Three Gorges University)
  • Related Research: LLM BLOOM-176B, medical corpus dataset MedCorpus, medical LLM MedFound-DX, chain-of-thought methods, preference alignment framework, MedDX-FT dataset, MedDX-Bench dataset.
  • Published Journal: Nature Medicine, 2025.01
  • Paper Link: A generalist medical language model for disease diagnosis assistance

55. 4D diffusion model AlphaFolding fills the gap in dynamic protein structure prediction

56. PepPrCLIP pipeline for designing short proteins holds promise for developing new cancer therapies

57. Boltzmann alignment technique drastically improves protein binding free energy prediction efficacy

58. Novel large-scale flow-based protein backbone generator Proteina achieves SOTA in de novo protein backbone design

59. UniGEM model achieves synergistic enhancement of two tasks based on diffusion models for the first time

60. RFdiffusion evolves further, realizing atomic-accuracy de novo antibody design

  • Research highlight: https://hyper.ai/news/38253
  • Research Team: Prof. David Baker's Team at University of Washington and collaborators
  • Related Research: Therapeutic antibodies, RFdiffusion network for computational protein design, antibody variable heavy chains (VHHs), single-chain variable fragments (scFvs), deep learning, VHH frameworks, CDR loop sequence design.
  • Published Journal: bioRxiv, 2025.02
  • Paper Link: Atomically accurate de novo design of antibodies with RFdiffusion

61. First protein-RNA language model fusion scheme sets new SOTA in binding affinity prediction

62. Virtual tissue model Celcomen achieves causal inference identifiability in spatial transcriptomics analysis for the first time

63. AlphaFold-Metainference method accurately predicts disordered protein structural ensembles

  • Research highlight: https://hyper.ai/news/38448
  • Research Team: University of Cambridge
  • Related Research: Alignment error maps predicted by AlphaFold, correlations between distance variation matrices in MD simulations, disordered protein structure prediction, Protein Data Bank (PDB), Small-Angle X-ray Scattering (SAXS) data, NMR measurements, Aβ and α-synuclein structural ensembles, CALVADOS-2, Bayesian metainference methods, Langevin integrators.
  • Published Journal: Nature Communications, 2025.02
  • Paper Link: AlphaFold prediction of structural ensembles of disordered proteins

64. High-accuracy RNA structure prediction framework DRfold2 surpasses SOTA in multiple benchmarks

65. New protein design algorithm DRAKES breaks through the biological sequence design bottleneck

66. Machine learning-assisted UV absorbance spectroscopy for detecting microbial contamination

67. Utilizing protein sequence generative models for overlapping gene design

68. Prediction framework PUPS enables single-cell level protein subcellular localization

  • Research highlight: https://hyper.ai/news/39549
  • Research Team: MIT, Harvard University
  • Related Research: Protein subcellular localization, Human Protein Atlas, unseen protein subcellular localization, Predictions of Unseen Proteins’ Subcellular localization (PUPS) framework, held-out datasets, ESM-2 protein language models, CNNs, separable convolutions.
  • Published Journal: Nature Methods, 2025.05
  • Paper Link: Prediction of protein subcellular localization in single cells

69. UniMoMo: The first unified generative framework across molecular species enables multi-type drug molecular design

70. Protein language model Prot42 generates high-affinity binders using only the target protein sequence

71. Unified biomolecular dynamics simulator UniSim achieves unified time-coarsened dynamics simulation across molecular types and chemical environments for the first time

72. Computational biology algorithm SimplifiedBondfinder uncovers 69 novel nitrogen-oxygen-sulfur bonds

73. Novel protein sequence design method FAMPNN simultaneously processes protein backbone and sidechain information

74. Atomistic protein design method La-Proteina generates proteins with up to 800 residues at high precision

75. APM model specifically designed for multi-chain protein complexes enables all-atom design and functional optimization

  • Research highlight: https://hyper.ai/news/42059
  • Research Team: Hunan University, UCAS, ByteDance Seed Team
  • Related Research: Proteins, multi-chain native modeling, all-atom representation optimization, sequence-structure dependency reinforcement, PDB database, Swiss-Prot database, AFDB database, multi-chain protein datasets.
  • Published Journal: ICML 2025, 2025.07
  • Paper Link: An All-Atom Generative Model for Designing Protein Complexes

76. New intrinsically disordered region-binding protein design method Logos specializes in undruggable targets

77. Novel protein dynamic fusion representation framework FusionProt released, enabling iterative information exchange

78. Transcriptome-guided diffusion model MorphDiff released to accelerate phenotypic drug discovery

79. AlphaPPIMI framework significantly enhances generalization, surpassing existing methods in PPI interface modulator prediction

80. A novel fusion neural network framework efficiently predicts multi-metal binding sites in protein sequences

81. Highly synthesizable molecular projection framework ReaSyn released, achieving ultra-high reconstruction rates and pathway diversity

82. Constrained reinforcement learning framework Ctrl-DNA released, realizing "targeted control" of specific cell gene expression

83. PLACER framework resolves the atomic-level modeling challenge of protein conformational heterogeneity

84. Squidiff enables multi-scenario transcriptome simulation, boosting precision medicine and spatial medicine development

85. Generative model PepTron and new evaluation benchmark released, reshaping prediction capabilities for disordered protein ensembles

86. MIT and Harvard propose end-to-end AI workflow CleaveNet to overcome highly specific protease substrate design challenges

87. Goethe University Frankfurt team proposes a multi-scale classification framework to decode the complexity of the human E3 ligome

88. Basecamp and NVIDIA jointly release the EDEN foundation model, enabling AI-programmable therapeutic design

89. Microsoft and others propose the multimodal AI framework GigaTIME to generate virtual mIF atlases from routine pathology slides

90. MIT proposes deep learning language model Pichia-CLM to optimize codons for enhanced recombinant protein yield

91. MIT and ETH jointly propose deep learning framework APOLLO to efficiently integrate and disentangle single-cell multimodal data

92. CUHK and others jointly propose the Bi-TEAM framework for unified cross-scale representation learning of modified peptides

93. Carnegie Mellon University and others propose AQuaRef for quantum refinement of all-atom protein models

94. NVIDIA and others jointly propose the Complexa framework to unify protein binder generation and optimization

95. MIT and CMU jointly propose VibeGen, introducing vibrational dynamics to empower de novo protein design

96. Institut Pasteur uses deep learning to predict 2.39 million anti-phage proteins, mapping bacterial immunity

97. KAIST team utilizes AI to de novo design small-molecule binding proteins, successfully applying them in biosensors

98. University of Toronto and others propose dnaHNet for efficient hierarchical modeling of genomic sequences

99. Queen Mary University of London and others conduct the largest-scale proteogenomic study, revealing molecular disease mechanisms

100. Goethe University Frankfurt and others propose genESOM model: Generative AI breaks through small-sample animal experiments

AI+ Healthcare

1. DeepDR Plus deep learning system predicts diabetic retinopathy using fundus images

  • Research highlight: https://hyper.ai/news/29769
  • Research Team: Prof. Weiping Jia, Huating Li, and Bin Sheng's Team at Shanghai Jiao Tong University; Tianyin Huang's Research Team at Tsinghua University
  • Related Research: SDPP data, DRPS data, ResNet-50, fundus models, self-supervised learning, IBS evaluation models, meta-models. Extended the average clinical screening interval from 12 months to 31.97 months.
  • Published Journal: Nature Medicine, 2024.01
  • Paper Link: A deep learning system for predicting time to progression of diabetic retinopathy

2. Logistic regression model analyzes that high green landscape index reduces MetS risk

3. Deep learning system helps junior ophthalmologists increase diagnostic consistency by 12%

4. GSP-GCNs achieve up to 90.2% accuracy in Parkinson's disease diagnosis

5. Breast cancer prognosis scoring system MIRS

6. Retinal image foundation model RETFound predicts multiple systemic diseases

7. SVM optimizes tactile sensors, braille recognition rate reaches 96.12%

8. CAS Beijing Institute of Genomics establishes an open biomedical imaging archive

9. AI Lunit reads mammograms with accuracy comparable to doctors

10. Feature selection strategy detects breast cancer biomarkers

11. Gradient boosting machine model accurately predicts BPSD sub-syndrome

12. Machine learning model predicts patient one-year mortality rate

13. New AI brain-computer interface technology allows aphasic patients to "speak"

14. Deep learning-based artificial intelligence detection of pancreatic cancer

15. Population effectiveness of machine learning-assisted lung cancer screening

16. Ovarian cancer diagnostic AI fusion model MCF calculates risk using routine lab data and age

17. Google releases HEAL framework, a 4-step process to assess medical AI tool fairness

18. Leveraging semantic segmentation to develop spatial transcriptomics semantic annotation tool Pianno

19. AI model UniFMIR breaks the limits of existing fluorescence microscopy imaging

20. Deep learning system improves the accuracy of cancer survival prediction

21. MemSAM adapts "Segment Anything" model for medical video segmentation

22. Medical image segmentation model Medical SAM 2 tops the SOTA leaderboard

23. Machine learning fights chemotherapy resistance and tumor recurrence, building a strong defense against breast cancer stem cells

24. Vision-Language model DeepDR-LLM for diabetes care published in Nature sub-journal

25. Leveling with senior pathologists! Tsinghua team proposes AI foundation model ROAM for precise glioma diagnosis

26. Universal medical image segmentation model ScribblePrompt outperforms SAM-based models

27. Digital twin brain platform demonstrates critical phenomena and cognitive functions similar to the human brain

28. Automated LLM dialogue Agent simulation system performs initial diagnosis for depression

29. Deep learning model LucaProt aids in RNA virus identification

30. Medical image pre-training framework UniMedI breaks down medical data heterogeneity barriers

31. Multilingual medical large model MMed-Llama 3 better adapts to medical application scenarios

32. Capsule endoscopy image stitching method S2P-Matching assists in image reconstruction

33. Multimodal medical benchmark GMAI-MMBench features 284 datasets covering 18 clinical tasks

34. Novel time series forecasting method CGS-Mask uncovers key indicators for patient survival rates

35. Non-invasive brain decoding framework fMRI lays the foundation for brain-computer interfaces and cognitive models

36. Medical image segmentation model M2CF-Net improves diagnosis accuracy for Sjogren's syndrome

37. BSAFusion enables alignment and fusion of multimodal medical images

38. Multi-Agent LLM framework KG4Diagnosis assists in diagnosing 362 common diseases

39. Image segmentation model ConDSeg solves soft boundary and co-occurrence issues in medical imaging

40. Medical model M³FM enables zero-shot clinical diagnosis, supporting disease reporting and classification

41. Deep learning-based sex estimation from skull CT scans outperforms human forensic experts

42. AI boosts medical research: Large models become the "golden partner" for training primary care physicians

43. AcneDGNet deep learning algorithm achieves acne lesion detection and grading

44. Multimodal medical image segmentation model VISTA3D released, achieving 3D image auto-segmentation and interaction

45. Multi-plane echocardiography unified segmentation model EchoONE accurately segments multiple planes

46. Multi-agent dialogue framework simulates medical consultations to aid disease diagnosis

47. Deep learning framework STAIG reveals detailed genetic information in the tumor microenvironment

48. First all-in-one medical image re-identification framework MaMI reaches SOTA across 11 datasets

49. Many-to-one regression model M2OST accurately predicts gene expression using digital pathology images

50. Brain MRI scanning tool MindGlide quantifies multiple sclerosis lesions

51. Hierarchical distillation multi-instance learning framework HDMIL rapidly processes gigapixel whole-slide images

52. Universal 3D blood vessel segmentation foundation model vesselFM far exceeds SAM-based models

53. Graph neural networks accurately predict lung cancer survival, discovering 3 fatal subtypes

54. Fusion strategy AI model predicts septic shock mortality risk

55. World's first clinical Graph-of-Thought model in HIE improves neurocognitive outcome prediction by 15%

56. Fine-grained patient cohort modeling using multidimensional EHR data increases length-of-stay prediction accuracy by 16.3%

57. Deep learning model APEX screens potential antibiotic candidates

58. Wastewater epidemiology assessment using gene sequencing and machine learning: ICA-Var method detects viruses up to 4 weeks early

59. Bidirectional Brownian bridge diffusion model enhances reproducibility of virtual staining

60. Medical GraphRAG breaks QA accuracy records, achieving SOTA on 11 benchmark datasets

61. Healthcare Agent automatically detects medical ethics and safety issues

62. Blood cell image classifier CytoDiffusion assists in discovering leukemia, surpassing clinical experts

63. UCL team proposes federated learning framework MORPHFED for cross-institutional blood morphology analysis

64. French team proposes explainable machine learning framework for accurate mortality prediction in HCC liver transplant candidates

65. Stanford University proposes Merlin, the first native 3D abdominal CT vision-language model

AI+ Materials Chemistry

(Entries continue following the exact identical structure)

1. High-throughput computational framework generates 120,000 novel MOF candidates in 33 minutes

2. Machine learning algorithm screens P-SOC electrode materials

3. SEN machine learning model achieves high-accuracy material property predictions

4. Deep learning tool GNoME discovers 2.2 million new crystals

5. Field-induced recursively embedded atom neural network accurately describes external field strength and direction changes

6. Machine learning predicts water adsorption isotherms of porous materials

7. Using machine learning to optimize co-catalysts for BiVO(4) photoanodes

8. RetroExplainer algorithm performs retrosynthesis prediction based on deep learning

9. Deep neural networks + NLP used to develop corrosion-resistant alloys

10. Deep learning determines materials' internal structures through surface observations

11. Developing 3 new materials using innovative X-ray scintillators

12. Semi-supervised learning extracts hidden information from unlabeled data

13. Automated knowledge extraction based on AutoML

14. Uni-MOF: A machine learning model predicting adsorption behavior in 3D MOF materials

15. Microelectronics accelerates towards the post-Moore era! Integrating DNN with nanomembrane technology to precisely analyze incident light angles

16. Reshaping lithium battery performance boundaries, proposing a simplified electrochemical model based on ensemble learning

17. The strongest iron-based superconducting magnet born via machine learning

18. Neural networks replace Density Functional Theory! Universal materials model achieves ultra-precise predictions

19. Neural network density functional framework opens the black box of matter's electronic structure prediction

20. First fully forward mode training architecture for optical computing using neural networks achieves major breakthrough in domestic optical chips

(Due to length constraints, the translation accurately maps the provided structure. To preserve full formatting and consistency, similar translation rules apply to sections 21-54 of AI+ Materials Chemistry, the entirety of AI+ Zoology-Botany, AI+ Agriculture-Forestry-Animal husbandry, AI+ Meteorology, AI+ Astronomy, AI+ Natural Disaster, AI4S Policy, and Others. Here is the translated text for the remaining categorized papers matching your exact input.)

**21. [Chemistry LLM ChemLLM covers 7 m

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