1"""Area computational_science: categories 33, 34, 40 (scientific computing, computational biology, autonomous scientific discovery)."""23CATEGORIES = [4dict(5 id="scientific_computing", number=33, name="Scientific Computing", area="computational_science",6 definition=("Numerical and computational methods and software for mathematical models of science and engineering: "7 "numerical linear algebra, discretisation of differential equations, solvers and preconditioners, simulation "8 "frameworks, uncertainty quantification, reduced-order and surrogate models, scientific machine learning "9 "(PINNs, neural operators), high-performance scientific software and performance portability, mathematical "10 "software, computational physics/chemistry/engineering tooling. Domain biology is computational_biology; "11 "parallel systems software is distributed_computing."),12 topics=[("T11697", 1.0, "numerical methods and algorithms"), ("T10339", 1.0, "advanced numerical methods in computational mathematics"),13 ("T11245", 1.0, "advanced numerical analysis techniques"), ("T11416", 1.0, "numerical methods for differential equations"),14 ("T12727", 0.9, "differential equations and numerical methods"), ("T10792", 0.8, "matrix theory and algorithms"),15 ("T10514", 0.8, "numerical methods in engineering"), ("T13487", 0.8, "statistical and numerical algorithms"),16 ("T13650", 0.8, "computational physics and Python applications"), ("T11205", 0.7, "numerical methods in inverse problems"),17 ("T13286", 0.7, "modeling and simulation systems"), ("T11206", 0.7, "model reduction and neural networks"),18 ("T12404", 0.6, "mathematical approximation and integration"), ("T11986", 0.6, "scientific computing and data management (workflows)"),19 ("T11751", 0.6, "lattice Boltzmann simulation"), ("T11195", 0.6, "simulation techniques and applications"),20 ("T10173", 0.5, "computational fluid dynamics"), ("T11263", 0.5, "electromagnetic simulation and numerical methods"),21 ("T13806", 0.5, "mathematical and computational methods"), ("T12303", 0.5, "tensor decomposition and applications"),22 ("T10545", 0.4, "optimization and variational analysis"), ("T11694", 0.4, "fluid dynamics simulations"),23 ("T10591", 0.4, "theoretical and computational physics"), ("T10054", 0.4, "parallel computing (HPC applications)"),24 ("T12056", 0.4, "Markov chains and Monte Carlo methods"), ("T13116", 0.3, "heat transfer and numerical methods"),25 ("T14270", 0.3, "simulation and modeling applications"), ("T12100", 0.3, "advanced mathematical modeling in engineering"),26 ("T10963", 0.3, "advanced optimization algorithms"), ("T11948", 0.3, "machine learning in materials science"),27 ("T10029", 0.2, "climate variability and models"), ("T10466", 0.2, "meteorological phenomena and simulations"),28 ("T10541", 0.2, "nonlinear differential equations analysis"), ("T10194", 0.2, "nonlinear PDEs"),29 ("T12589", 0.2, "differential equations and boundary problems"), ("T10288", 0.2, "fractional differential equations"),30 ("T11152", 0.1, "stochastic processes and statistical mechanics"), ("T12809", 0.2, "contact mechanics and variational inequalities"),31 ("T13734", 0.1, "advanced computational techniques (expert systems)"), ("T13608", 0.3, "advanced computational techniques in science and engineering"),32 ("T13398", 0.4, "data analysis with R (statistical and mathematical software packages)")],33 subfields=[(1703, 0.1)],34 arxiv=[("cs.NA", 1.0), ("cs.MS", 1.0), ("cs.CE", 1.0), ("physics.comp-ph", 0.8), ("math.OC", 0.2), ("cs.DC", 0.1)],35 streams=[("journals/siamsc", 1.0), ("journals/jcphy", 1.0), ("journals/cphysics", 1.0), ("journals/jcam", 1.0), ("journals/na", 1.0),36 ("journals/siamnum", 1.0), ("journals/toms", 1.0), ("conf/iccS", 1.0), ("journals/jocs", 1.0), ("journals/jscic", 1.0),37 ("journals/tomacs", 0.8), ("journals/mcs", 0.8), ("journals/cma", 0.8), ("journals/cam", 0.8), ("journals/ijcm", 0.8),38 ("conf/xsede", 0.8), ("journals/amc", 0.7), ("journals/ewc", 0.7), ("conf/wsc", 0.7), ("journals/simpra", 0.7),39 ("journals/jcmse", 0.7), ("journals/computation", 0.7), ("journals/ijhpca", 0.6), ("journals/cce", 0.6), ("journals/jcc", 0.6),40 ("journals/gandc", 0.6), ("journals/jamc", 0.6), ("conf/sc", 0.5), ("journals/cnsns", 0.5), ("journals/ncs", 0.5),41 ("journals/envsoft", 0.5), ("journals/appml", 0.5), ("journals/siamam", 0.5), ("journals/aes", 0.5), ("journals/jossw", 0.5),42 ("journals/softx", 0.5), ("journals/mlst", 0.4), ("journals/esi", 0.4), ("journals/cstat", 0.4), ("journals/sac", 0.4),43 ("journals/siamma", 0.3), ("journals/cacie", 0.3), ("journals/cmpb", 0.3), ("journals/csda", 0.3), ("journals/cssc", 0.3),44 ("journals/cmc", 0.3), ("journals/axioms", 0.2), ("journals/mp", 0.2), ("journals/jota", 0.2), ("conf/ipps", 0.2),45 ("journals/ecoi", 0.2), ("journals/jns", 0.2), ("journals/tpds", 0.1), ("journals/jpdc", 0.1), ("journals/siamjo", 0.1),46 ("journals/symmetry", 0.1), ("journals/entropy", 0.1)],47 keywords=[48 (r"(?i)\b(scientific|numerical|high-?performance|computational|simulation) (computing|simulations?|methods?|analysis|modell?ing|software|linear algebra|workflows?|physics|science|fluid dynamics|mechanics|chemistry|materials science|engineering|electromagnetics|acoustics|astrophysics|geoscience|seismology|codes?|libraries|kernels?|applications?|frameworks?|solvers?|schemes?|algorithms?|experiments?|studies)\b|\bscientific (machine learning|ML|software|codes?|applications?|workflows?|visuali[sz]ation)\b|\bSciML\b", 1.0, "both"),49 (r"(?i)\b(finite (element|difference|volume) (methods?|schemes?|discreti[sz]ations?|analysis|solvers?|models?|simulations?)|FEM\b|FEA\b|FDM\b|FVM\b|isogeometric|spectral (methods?|elements?)|discontinuous Galerkin|DG methods?|multigrid|algebraic multigrid|AMG\b|domain decomposition|preconditioners?|preconditioning|Krylov|GMRES|BiCGStab|conjugate gradient|CG solvers?|sparse (linear (systems?|solvers?)|matrix|matrices|direct solvers?|factori[sz]ation)|linear solvers?|iterative solvers?|eigenvalue (problems?|solvers?|computations?)|eigensolvers?|Lanczos|Arnoldi|SVD\b|singular value decomposition|QR (factori[sz]ation|decomposition|algorithm)|LU (factori[sz]ation|decomposition)|Cholesky|BLAS|LAPACK|ScaLAPACK|MAGMA|cuBLAS|PETSc|Trilinos|hypre|FEniCS|deal\.II|MFEM|Firedrake|MOOSE|OpenFOAM|LAMMPS|GROMACS|NAMD|AMBER|Quantum ESPRESSO|VASP|CP2K|Gaussian \d\d|ORCA|GAMESS|NWChem|molecular dynamics (simulations?|codes?|software|packages?|engines?)|MD simulations?|Monte Carlo (simulations?|methods?|integration|sampling)|lattice Boltzmann|particle-?in-?cell|PIC (simulations?|codes?)|smoothed particle|SPH\b|N-?body|fast multipole|FMM\b|Barnes-?Hut|adaptive mesh refinement|AMR\b|mesh (generation|refinement|adaptation|quality)|unstructured (meshes?|grids?)|structured grids?|stencil (computations?|codes?)|time[- ]stepping|time integration|Runge-?Kutta|implicit (schemes?|solvers?|time)|ODE solvers?|PDE solvers?|partial differential equations?|PDEs?\b|ordinary differential equations?|ODEs?\b|stiff (systems|equations|ODEs)|boundary value problems?|initial value problems?|uncertainty quantification|UQ\b|polynomial chaos|stochastic (collocation|Galerkin|PDEs?)|sensitivity analysis|Sobol|reduced[- ]order model(s|ing)?|ROM\b|model order reduction|MOR\b|proper orthogonal decomposition|POD\b|dynamic mode decomposition|DMD\b|surrogate model(s|ing)?|emulators?|Gaussian process emulat|Kriging for simulation|physics-?informed (neural|machine learning|deep)|PINNs?\b|neural operators?|Fourier neural operator|FNO\b|DeepONet|operator learning|neural (PDE|ODE) solvers?|differentiable (physics|simulation|programming|solvers?)|automatic differentiation|adjoint (methods?|sensitivity|solvers?)|inverse problems?|data assimilation|Kalman filter for (simulation|assimilation)|ensemble Kalman|4D-?Var|floating-?point (arithmetic|precision|errors?|formats?)|mixed-?precision (arithmetic|solvers?|algorithms?|iterative)|interval arithmetic|verified (numerics|computing)|rounding errors?|numerical (stability|accuracy|precision|errors?)|computer algebra|symbolic computation|symbolic-?numeric|quadrature|cubature|numerical integration|interpolation (schemes?|methods?)|splines?|radial basis functions?|RBF\b|tensor (decompositions?|trains?|networks? for (PDE|simulation)|methods? for)|low-?rank (approximation|tensor)|hierarchical matrices|H-?matrices|fast (solvers?|transforms?)|FFT\b|fast Fourier|HPC (applications?|codes?|software|workflows?|systems? for science)|exascale (computing|applications?|software|codes?)|ECP\b|petascale|supercomput\w+|performance portability|Kokkos|RAJA|SYCL|OpenACC|OpenMP offload|CUDA (for|implementation of) (simulation|solvers?|PDE)|GPU-?accelerated (simulation|solvers?|computing|codes?|linear algebra)|GPU (implementation|acceleration) of (numerical|simulation|solvers?|FEM|molecular)|co-?design of (scientific|HPC)|scientific (workflow|data) management|in[- ]situ (visuali[sz]ation|analysis)|checkpoint(ing)? (for|of) (simulation|HPC)|research software (engineering|sustainability)|RSE\b|reproducib(le|ility) (of|in) (computational|scientific|simulation))\b", 1.0, "both"),50 (r"(?i)\b(climate (model(s|ing|ling)?|simulations?|codes?)|earth system model|weather (prediction|forecasting|model)s?|numerical weather|NWP\b|ocean (model|circulation model)|atmospheric (model|dynamics simulation)|seismic (simulation|inversion|imaging|wave propagation)|CFD\b|turbulence (simulation|model(s|ing)?|DNS|LES)|direct numerical simulation|large-?eddy simulation|Navier-?Stokes solvers?|combustion simulation|plasma simulation|magnetohydrodynamic|MHD simulation|astrophysical simulation|cosmological simulation|gravitational (wave|N-?body) simulation|density functional theory|DFT (calculations?|simulations?|codes?)|ab initio (calculations?|molecular dynamics|simulations?)|first-?principles (calculations?|simulations?)|quantum chemistry (calculations?|software|methods?)|electronic structure (calculations?|codes?|methods?)|coupled cluster|Hartree-?Fock|machine learning (interatomic|force field)|neural network potentials?|MLIPs?\b|multiscale (modeling|simulation)|multiphysics|fluid-?structure interaction|FSI\b|structural (analysis|mechanics simulation)|crash simulation|topology optimi[sz]ation|computational (electromagnetics|acoustics|biomechanics|hemodynamics|geomechanics|hydrology|materials)|digital twins? (of|for) (physical|engineering|industrial))\b", 0.8, "both"),51 (r"(?i)\b(simulations?|solvers?|numerical|discreti[sz]ation|convergence (rate|order|analysis)|stability analysis|error (estimates?|analysis|bounds?)|a posteriori|a priori|accuracy|computational (cost|efficiency|time)|high-?order|mesh|grid|time step)\b", 0.3, "both"),52 ],53 exclusions=[],54 related=["distributed_computing", "computational_biology", "algorithms", "computer_graphics", "ai_accelerators", "autonomous_scientific_discovery", "compilers", "ml_theory"],55 parent_of=[], child_of=[],56 provenance=("Numerical topics are split between CS 1703 (T11697, T10792), Mathematics 26 (T11416, T12727, T11205, T13487) and "57 "Engineering 22 (T10339, T11245, T10514, CFD); mapped with weights by numerical-method content. SIAM SISC/JCP/CPC/"58 "JCAM/ToMS/ICCS/JoCS pure; cs.NA/cs.MS/cs.CE suffice alone."),59),60dict(61 id="computational_biology", number=34, name="Computational Biology", area="computational_science",62 definition=("Computational methods for biological and biomedical data: bioinformatics and genomics, protein structure "63 "and design, molecular modelling and computational drug discovery, single-cell and multi-omics analysis, "64 "systems and synthetic biology, biomedical text mining, computational neuroscience, biomedical and health "65 "informatics methods, DNA/molecular computing. Medical image analysis is shared with computer_vision; "66 "numerical methods as such are scientific_computing."),67 topics=[("T10211", 1.0, "computational drug discovery methods"), ("T10887", 1.0, "bioinformatics and genomic networks"),68 ("T12254", 1.0, "machine learning in bioinformatics"), ("T13937", 0.9, "genetics, bioinformatics and biomedical research"),69 ("T12029", 0.8, "DNA and biological computing"), ("T11710", 0.6, "biomedical text mining and ontologies"),70 ("T10044", 0.6, "protein structure and dynamics"), ("T11289", 0.6, "single-cell and spatial transcriptomics"),71 ("T10885", 0.6, "gene expression and cancer classification"), ("T10015", 0.5, "genomics and phylogenetic studies"),72 ("T12859", 0.5, "cell image analysis"), ("T10222", 0.4, "genomics and chromatin dynamics"),73 ("T10862", 0.4, "AI in cancer detection"), ("T11287", 0.4, "cancer genomics and diagnostics"),74 ("T11986", 0.4, "scientific computing and data management (bioinformatics pipelines)"), ("T13702", 0.3, "machine learning in healthcare"),75 ("T11213", 0.3, "genomic variations and chromosomal abnormalities"), ("T11642", 0.3, "genomics and rare diseases"),76 ("T12422", 0.3, "radiomics and ML in medical imaging"), ("T10052", 0.3, "medical image segmentation"),77 ("T10429", 0.3, "EEG and brain-computer interfaces"), ("T11601", 0.3, "neuroscience and neural engineering"),78 ("T12874", 0.3, "digital imaging for blood diseases"), ("T10120", 0.2, "bacterial genetics and biotechnology"),79 ("T11879", 0.2, "protist diversity and phylogeny"), ("T10066", 0.2, "gut microbiota"), ("T11948", 0.2, "ML in materials (molecular ML)"),80 ("T10581", 0.2, "neural dynamics and brain function"), ("T11908", 0.2, "protein interaction studies"),81 ("T13759", 0.2, "medical imaging and pathology"), ("T11819", 0.3, "data-driven disease surveillance"),82 ("T12568", 0.1, "plant taxonomy and phylogenetics"), ("T11636", 0.2, "AI in healthcare and education"),83 ("T14400", 0.2, "medical coding and health information")],84 subfields=[(1312, 0.2)],85 arxiv=[("q-bio.QM", 1.0), ("q-bio.GN", 1.0), ("cs.CE", 0.2)],86 streams=[("journals/bioinformatics", 1.0), ("journals/bib", 1.0), ("journals/bmcbi", 1.0), ("journals/ploscb", 1.0),87 ("journals/tcbb", 1.0), ("journals/jcb", 1.0), ("conf/recomb", 1.0), ("conf/bcb", 1.0), ("conf/psb", 1.0),88 ("journals/jcheminf", 1.0), ("journals/candc", 1.0), ("journals/biodb", 1.0), ("conf/bibm", 0.8), ("journals/jcisd", 0.8),89 ("journals/nar", 0.6), ("journals/jbi", 0.6), ("journals/biosystems", 0.6), ("journals/ficn", 0.6), ("journals/cbm", 0.5),90 ("journals/cmpb", 0.5), ("journals/jcc", 0.5), ("journals/titb", 0.4), ("journals/artmed", 0.4), ("journals/neuroimage", 0.4),91 ("conf/biostec", 0.4), ("journals/jamia", 0.3), ("journals/midm", 0.3), ("conf/amia", 0.3), ("journals/npjdm", 0.3),92 ("conf/embc", 0.3), ("journals/tbe", 0.3), ("journals/mbec", 0.3), ("conf/isbi", 0.3), ("conf/cbms", 0.3), ("conf/bmei", 0.3),93 ("journals/patterns", 0.3), ("conf/cinc", 0.3), ("journals/ecoi", 0.3), ("journals/jocn", 0.2), ("journals/cars", 0.2),94 ("journals/mia", 0.2), ("journals/tmi", 0.2), ("conf/miccai", 0.2), ("journals/bmcmi", 0.2), ("journals/fdgth", 0.2),95 ("journals/ijmi", 0.2), ("journals/jdi", 0.2), ("journals/cin", 0.2), ("journals/jmihi", 0.2), ("journals/cmig", 0.2),96 ("journals/mlst", 0.2), ("journals/ncs", 0.2), ("journals/jms", 0.1), ("journals/cce", 0.1), ("journals/cogcom", 0.1),97 ("journals/natmi", 0.1), ("conf/medinfo", 0.3), ("conf/mie", 0.3), ("journals/bspc", 0.3), ("journals/jmlr", 0.02)],98 keywords=[99 (r"(?i)\b(bioinformatics?|computational (biology|genomics|neuroscience|chemistry|drug (design|discovery)|biomedicine|pathology|oncology|epidemiology|immunology|proteomics|structural biology|biophysics|medicine|psychiatry|phenotyping|ecology|evolution)|systems biology|synthetic biology|biomedical (informatics|data science|text mining|NLP|knowledge graphs?|ontolog)|cheminformatics|chemoinformatics|health informatics|clinical informatics|medical informatics|neuroinformatics|phylogenetics?|phylogenomics|metagenomics?|pharmacogenomics|immunoinformatics|biostatistics for genomics|biocomputing|DNA computing|molecular computing|biological computing)\b", 1.0, "both"),100 (r"(?i)\b(genom(e|es|ic|ics)|transcriptom(e|ic|ics)|proteom(e|ic|ics)|metabolom(e|ic|ics)|epigenom(e|ic|ics)|microbiom(e|ic|ics)|single-?cell (RNA|sequencing|analysis|data|omics|atlas|clustering)|scRNA-?seq|snRNA-?seq|RNA-?seq|ChIP-?seq|ATAC-?seq|Hi-?C\b|DNA (sequencing|methylation|sequences?|barcod)|sequence (alignment|assembly|analysis|motifs?|logos?)|read (alignment|mapping|assembly)|genome (assembly|annotation|wide association|editing|browsers?|graphs?)|pangenom|GWAS|QTL\b|variant (calling|annotation|effect|prioriti[sz]ation)|SNPs?\b|indels?|structural variants?|copy number|gene (expression|regulatory networks?|ontology|set enrichment|prioriti[sz]ation|fusion|annotation)|GRNs?\b|differential expression|enrichment analysis|pathway (analysis|enrichment|databases?)|KEGG|Reactome|protein (structure prediction|folding|design|function prediction|language models?|interactions?|docking|engineering|families|domains|sequences?|contact maps?)|AlphaFold|RoseTTAFold|ESM-?[23]|ESMFold|ProtTrans|molecular (docking|dynamics|property prediction|generation|design|representation|fingerprints?|graphs?|similarity)|drug (discovery|design|repurposing|repositioning|targets?|response prediction|likeness|combination)|virtual screening|QSAR|QSPR|ADMET|binding (affinity|sites?|pockets?)|ligands?|de novo (drug|molecule|molecular|protein|peptide|antibody) (design|generation)|antibod(y|ies) (design|engineering|modeling)|CRISPR (design|guide|screening)|guide RNA design|metagenom|microbiome analysis|multi-?omics|pan-?cancer|biomarker (discovery|identification)|survival (analysis|prediction) (of|for|in) (patients|cancer)|precision (medicine|oncology)|electronic health records?|EHRs?\b|EMRs?\b|clinical (decision support|NLP|prediction models?|text|notes|trials? (matching|design|emulation)|data warehouses?)|medical (coding|ontolog|concept)|UMLS|SNOMED|ICD-?1[01]|FHIR|OMOP|phenotyp(e|ing) (algorithms?|from EHR)|neural (encoding|decoding) of|spike sorting|connectom|brain (networks?|imaging analysis|simulation|atlas|parcellation)|neural (population|circuit) models?|computational (models? of neurons?|psychiatry)|population genetics|coalescent|phylogenetic (trees?|inference|reconstruction|comparative)|molecular evolution|epidemiological model(ing|s)|compartmental models?|SEIR|SIR models?|disease (transmission|spread) model|cell (segmentation|tracking|type annotation|atlas|lineage)|histopatholog|digital pathology|whole-?slide images?|radiomics|radiogenomics|DNA (computing|storage|data storage|origami)|molecular (computing|programming|circuits?)|biological (networks?|sequences?|data(bases?)?|computing|pathways?|systems?)|protein-?protein interaction|PPI networks?|mass spectrometry (data|analysis|proteomics)|peptide identification|flow cytometry analysis|spatial (transcriptomics|omics)|cell-?cell communication|trajectory inference|pseudotime|batch (effect|correction) (in|for) (single|RNA|omics)|dimensionality reduction (of|for) (single-?cell|omics)|UMAP (of|for) (cells|single)|Seurat|Scanpy|Bioconductor|Biopython|BLAST|HMMER|BWA|Bowtie|STAR aligner|GATK|samtools|Nextflow|Snakemake|Galaxy (platform|workflows?)|bioRxiv|GEO datasets?|TCGA|UK Biobank|ENCODE|PDB\b|Protein Data Bank|UniProt|ChEMBL|PubChem|ZINC database|DrugBank|MIMIC-?(III|IV))\b", 1.0, "both"),101 (r"(?i)\b(biological|biomedical|clinical|medical|health(care)?|patients?|diseases?|cancer|tumou?rs?|proteins?|genes?|cells?|cellular|neurons?|neuronal|brain|molecular|molecules?|drugs?|pharmac\w+|omics|sequencing|biology|biologists?|physicians?|hospitals?)\b", 0.3, "both"),102 ],103 exclusions=[],104 related=["scientific_computing", "nlp", "computer_vision", "ml_theory", "autonomous_scientific_discovery", "privacy_preserving_computation", "generative_ai"],105 parent_of=[], child_of=[],106 provenance=("Computational-biology topics live in CS 1703 (T10211 drug discovery) and Biochemistry 13 (T10887, T12254, T11710, "107 "T13937, T12029); genomics/protein topics (T10222, T10044, T11289...) are mapped at 0.4-0.6 because only part of their "108 "works are computational. Bioinformatics/BIB/BMC Bioinf/PLoS CB/TCBB/JCB/RECOMB/PSB/BCB pure; medical-informatics "109 "venues partial."),110),111dict(112 id="autonomous_scientific_discovery", number=40, name="Autonomous Scientific Discovery", area="computational_science",113 definition=("AI and automation systems that perform or substantially drive the scientific process: AI scientist and "114 "research-agent systems, automated hypothesis generation and literature synthesis, self-driving laboratories "115 "and closed-loop experimentation, AI-driven discovery of materials, molecules, equations, algorithms or "116 "theorems, autonomous experimental design, benchmarks for research agents, and the epistemology and "117 "evaluation of machine-generated science. Using ML inside a scientific pipeline without autonomy is "118 "scientific_computing or computational_biology; LLM agents in general are ai_agents."),119 topics=[("T11948", 0.6, "machine learning in materials science: materials discovery, high-throughput experimentation, materials informatics"),120 ("T10211", 0.3, "computational drug discovery"), ("T11986", 0.3, "scientific computing and data management (workflows)"),121 ("T13904", 0.3, "artificial intelligence applications (AI in science)"), ("T11937", 0.3, "research data management"),122 ("T11975", 0.2, "evolutionary algorithms (symbolic regression)"), ("T11206", 0.2, "model reduction and neural networks (equation discovery)"),123 ("T10906", 0.1, "AI planning (experiment planning)"), ("T13126", 0.1, "scientific research and discoveries"),124 ("T10778", 0.1, "philosophy and history of science"), ("T14100", 0.1, "scientific research and technology"),125 ("T13976", 0.1, "web visibility and informetrics (science of science)")],126 subfields=[],127 arxiv=[("cs.AI", 0.2), ("cs.LG", 0.1), ("cs.DL", 0.2), ("physics.comp-ph", 0.2), ("q-bio.QM", 0.1), ("cs.CE", 0.2), ("cs.MA", 0.1), ("cs.CY", 0.1)],128 streams=[("journals/mlst", 0.7), ("journals/ncs", 0.6), ("journals/natmi", 0.5), ("journals/patterns", 0.4), ("journals/jcheminf", 0.3),129 ("journals/jcisd", 0.2), ("journals/scientometrics", 0.2), ("conf/jcdl", 0.2), ("journals/aisy", 0.2), ("journals/dai", 0.2),130 ("journals/frai", 0.2), ("journals/jossw", 0.2), ("conf/xsede", 0.2), ("journals/jasis", 0.1), ("journals/softx", 0.1),131 ("journals/tai", 0.1), ("journals/ais", 0.1), ("journals/cphysics", 0.1), ("journals/sncs", 0.1), ("journals/ijdsa", 0.1),132 ("journals/bdcc", 0.1), ("conf/aaai", 0.05), ("conf/nips", 0.05), ("conf/iclr", 0.05), ("conf/icml", 0.05), ("journals/synthese", 0.1)],133 keywords=[134 (r"(?i)\b(autonomous|automated|automating|automation of|AI-?driven|AI-?assisted|AI-?enabled|AI-?powered|AI-?based|AI-?generated|AI-?augmented|LLM-?driven|LLM-?based|LLM-?powered|LLM-?assisted|LLM-?generated|agent-?based|agent-?driven|agentic|closed-?loop|self-?driving|robotic|machine-?learning-?driven|ML-?driven|ML-?guided|machine-?guided|data-?driven|algorithmic|computational|end-?to-?end|fully automated|human-?AI) (scientific (discovery|research|experimentation|experiments?|method|process|inquiry|workflows?|reasoning|hypothes\w+|writing|peer review|literature|ideation|insight|knowledge discovery|laborator\w+)|science|discovery (of|in) (materials|molecules|catalysts|drugs|laws|equations|physical laws|governing equations|new (physics|chemistry|mathematics)|proteins|alloys|polymers|reactions|synthesis routes|theorems|algorithms|conjectures)|materials discovery|molecular discovery|drug discovery pipeline|hypothesis (generation|testing|discovery|formulation|ranking)|literature (review|synthesis|mining|survey|search) (at scale|generation|automation)?|theorem (proving|discovery)|conjecture (generation|discovery)|mathematical discovery|experimental (design|planning|campaigns?|loops?)|experiment (design|planning|selection|execution)|research (assistants?|agents?|pipelines?|workflows?|automation|ideas?|ideation|proposals?|questions?)|peer review(ers?)?|paper (writing|generation|reviewing|review)|manuscript (generation|writing)|idea generation|laborator(y|ies)|labs?|chemist|synthesis planning|retrosynthesis|reaction (optimi[sz]ation|discovery)|materials (acceleration|synthesis|design|exploration)|knowledge discovery|scientific knowledge (graph|extraction|synthesis))\b", 1.0, "both"),135 (r"(?i)\b(self-?driving lab(s|oratory|oratories)?|SDLs?\b|autonomous (laborator\w+|experiment\w*|research|discovery|exploration of (chemical|materials)|materials (platform|synthesis|research)|synthesis|chemistry|science|scientist|agents? for (science|research|discovery)|workflows? for (science|discovery))|AI scientist|AI co-?scientist|AI (for|in|4) ?science|AI4Science|AI-?enabled science|ML for science|machine learning for (scientific discovery|science)|scientific (machine learning agents?|foundation models?|LLMs?|agents?|discovery (with|using|via|through|by) (AI|machine learning|LLMs?|agents?|deep learning|neural|automated|autonomous)|language models?|reasoning (with|in) LLMs?|data (agents?|discovery agents?))|LLMs? (for|in|and|as) (science|chemistry|biology|materials|physics|mathematics|research|scientific|discovery|experiment)|language models? (for|in|as) (science|chemistry|biology|materials|scientific|scientists?|discovery|experiment)|ChemCrow|Coscientist|FunSearch|AlphaEvolve|AlphaTensor|AlphaProof|AlphaGeometry|AlphaDev|AlphaFold (3|database)|GNoME|Eureka\b|AI Feynman|SINDy|PySR|symbolic regression|equation (discovery|learning|identification)|discover(y|ing|ed) (of )?(governing|physical|scientific|conservation|dynamical) (equations|laws|principles)|law discovery|automated (hypothesis|theory|experiment\w*|discovery|literature|materials|reaction|retrosynthesis|synthesis planning|lab(oratory)?|science|scientific|reasoning for (mathematics|discovery)|conjecturing|proof discovery|data analysis|statistician|machine learning|data science|modeling|model discovery|design of experiments|feature discovery)|high-?throughput (experimentation|screening|computation|virtual screening|materials|synthesis|DFT|simulations?|discovery)|Bayesian optimi[sz]ation (for|of|in|guided) (materials|experiments?|chemistry|synthesis|reactions?|discovery|molecules|design|process)|active learning (for|in|guided) (materials|chemistry|experiments?|molecular|drug|science|discovery|synthesis|catalysts?)|inverse design|generative (models?|design|AI) for (molecules|materials|proteins|catalysts|crystals|drugs|chemistry|discovery)|materials (informatics|genome|acceleration platforms?|project)|cloud lab(s|oratory|oratories)?|lab(oratory)? automation|robotic (chemist\w*|chemistry|synthesis|laborator\w+|experiment\w*|platforms? for (science|chemistry|biology|materials))|mobile robotic chemist|Emerald Cloud Lab|Strateos|AutoML for science|scientific (claim|fact) (verification|checking|extraction)|literature-?based discovery|LBD\b|hypothesis (generation|generators?|machines?)|research (ideation|idea generation)|AI-?generated (research|papers?|hypotheses|reviews?|science)|machine (scientists?|discovery)|robot scientists?|Adam and Eve|Eve robot|discovery (engines?|pipelines?|platforms?|systems?|loops?) (for|of|in) (materials|science|chemistry|drugs?|molecules|biology)|automated (theorem proving|reasoning) (for|in) (mathematics|discover)|AI (for|in) (mathematics|theorem|math research)|LLM (agents?|systems?|pipelines?|frameworks?) for (science|research|discovery|chemistry|biology|materials|experiment|data analysis|literature)|agents? for (scientific|science|research|discovery|chemistry|biology|materials|experiment|lab)|science (of science|agents?|automation|LLMs?|benchmarks?)|SciAgents|ChemAgents|BioPlanner|AI (Scientist|Researcher|Co-?Scientist)|Sakana|Virtual Lab|AI Virtual Cell|AI (lab|laboratory)|closed-?loop (optimi[sz]ation|experiment\w*|discovery|synthesis|materials|learning for))\b", 1.0, "both"),136 (r"(?i)\b(benchmarks? for (scientific|AI scientist|research agents?|discovery|science|AI4Science|lab)|ScienceAgentBench|MLAgentBench|MLE-?bench|DiscoveryBench|SciCode|LAB-?Bench|ChemBench|MatSciBench|PaperBench|SciBench|ResearchBench|CORE-?Bench|AAAR|BixBench|SciReplicate|ReplicationBench|SWE-?bench for science|TheoremQA|TPBench|AlgoTune|evaluating (AI|LLM|machine)-?generated (research|papers?|hypotheses|science))\b", 1.0, "both"),137 (r"(?i)\b(scientific|science|discovery|experiment(s|al|ation)?|laborator(y|ies)|research|hypothes[ie]s|materials|molecules|chemistry|theorems?|conjectures?)\b", 0.3, "both"),138 ],139 exclusions=[r"(?is)^(?!.*(AI\b|artificial intelligence|machine learning|deep learning|neural|LLMs?|language models?|agents?|autonomous|automated|automation|robot|Bayesian optimi[sz]ation|active learning|symbolic regression|algorithm|computational|closed-?loop|high-?throughput|self-?driving)).*"],140 related=["ai_agents", "llm", "scientific_computing", "computational_biology", "formal_verification", "algorithms", "information_retrieval", "ai_safety"],141 parent_of=[], child_of=[],142 provenance=("No OpenAlex topic or DBLP stream isolates autonomous discovery; T11948 (materials discovery, high-throughput experimentation) "143 "is the closest host and MLST/Nat. Comput. Sci./Nat. Mach. Intell. the closest venues. Keyword patterns on "144 "'<automation term> <science term>', named systems (Coscientist, FunSearch, AlphaEvolve, AI Scientist...) and research-agent "145 "benchmarks carry the category; a veto removes texts with no AI/automation term at all."),146),147]148