1use crate::{EmbeddingModel, ModelConfig, ModelStats, TrainingStats, Triple, Vector};
11use anyhow::{anyhow, Result};
12use async_trait::async_trait;
13use chrono::Utc;
14use scirs2_core::ndarray_ext::{s, Array1, Array2, Array3};
15use scirs2_core::random::{Random, Rng};
16use serde::{Deserialize, Serialize};
17use std::collections::HashMap;
18use uuid::Uuid;
19
20#[derive(Debug, Clone, Serialize, Deserialize)]
22pub struct NovelArchitectureConfig {
23 pub base_config: ModelConfig,
24 pub architecture: ArchitectureType,
26 pub architecture_params: ArchitectureParams,
28 pub dynamics_config: DynamicsConfig,
30 pub geometric_config: GeometricConfig,
32}
33
34impl Default for NovelArchitectureConfig {
35 fn default() -> Self {
36 Self {
37 base_config: ModelConfig::default(),
38 architecture: ArchitectureType::GraphTransformer,
39 architecture_params: ArchitectureParams::default(),
40 dynamics_config: DynamicsConfig::default(),
41 geometric_config: GeometricConfig::default(),
42 }
43 }
44}
45
46#[derive(Debug, Clone, Serialize, Deserialize)]
48pub enum ArchitectureType {
49 GraphTransformer,
51 NeuralODE,
53 HyperbolicEmbedding,
55 GeometricDeepLearning,
57 QuantumInspired,
59 ContinuousNormalizingFlow,
61}
62
63#[derive(Debug, Clone, Serialize, Deserialize, Default)]
65pub struct ArchitectureParams {
66 pub transformer_params: GraphTransformerParams,
68 pub ode_params: NeuralODEParams,
70 pub hyperbolic_params: HyperbolicParams,
72 pub geometric_params: GeometricParams,
74 pub quantum_params: QuantumParams,
76}
77
78#[derive(Debug, Clone, Serialize, Deserialize)]
80pub struct GraphTransformerParams {
81 pub num_heads: usize,
83 pub num_layers: usize,
85 pub attention_dim: usize,
87 pub ff_dim: usize,
89 pub structural_dim: usize,
91 pub use_positional_encoding: bool,
93 pub attention_mechanism: AttentionMechanism,
95 pub structural_bias: StructuralBias,
97}
98
99impl Default for GraphTransformerParams {
100 fn default() -> Self {
101 Self {
102 num_heads: 8,
103 num_layers: 6,
104 attention_dim: 512,
105 ff_dim: 2048,
106 structural_dim: 128,
107 use_positional_encoding: true,
108 attention_mechanism: AttentionMechanism::SparseAttention,
109 structural_bias: StructuralBias::SpectralFeatures,
110 }
111 }
112}
113
114#[derive(Debug, Clone, Serialize, Deserialize)]
116pub enum AttentionMechanism {
117 MultiHeadAttention,
119 SparseAttention,
121 LinearAttention,
123 PerformerAttention,
125 GraphAwareAttention,
127}
128
129#[derive(Debug, Clone, Serialize, Deserialize)]
131pub enum StructuralBias {
132 SpectralFeatures,
134 ShortestPath,
136 RandomWalk,
138 CentralityMeasures,
140 GraphMotifs,
142}
143
144#[derive(Debug, Clone, Serialize, Deserialize)]
146pub struct NeuralODEParams {
147 pub solver_type: ODESolverType,
149 pub time_steps: usize,
151 pub tolerance: f64,
153 pub hidden_dims: Vec<usize>,
155 pub activation: ActivationType,
157 pub use_adjoint: bool,
159 pub regularization: ODERegularization,
161}
162
163impl Default for NeuralODEParams {
164 fn default() -> Self {
165 Self {
166 solver_type: ODESolverType::DormandPrince,
167 time_steps: 100,
168 tolerance: 1e-6,
169 hidden_dims: vec![512, 256, 128],
170 activation: ActivationType::Swish,
171 use_adjoint: true,
172 regularization: ODERegularization::None,
173 }
174 }
175}
176
177#[derive(Debug, Clone, Serialize, Deserialize)]
179pub enum ODESolverType {
180 Euler,
182 RungeKutta4,
184 DormandPrince,
186 AdamsBashforth,
188 BackwardEuler,
190}
191
192#[derive(Debug, Clone, Serialize, Deserialize)]
194pub enum ODERegularization {
195 None,
196 KineticEnergy,
198 JacobianFrobenius,
200 SpectralNormalization,
202}
203
204#[derive(Debug, Clone, Serialize, Deserialize)]
206pub enum ActivationType {
207 ReLU,
208 Swish,
209 Mish,
210 GELU,
211 ELU,
212 LeakyReLU,
213 Tanh,
214}
215
216#[derive(Debug, Clone, Serialize, Deserialize)]
218pub struct HyperbolicParams {
219 pub manifold: HyperbolicManifold,
221 pub curvature: f64,
223 pub manifold_dim: usize,
225 pub optimizer: ManifoldOptimizer,
227 pub distance_function: HyperbolicDistance,
229 pub initialization: HyperbolicInit,
231}
232
233impl Default for HyperbolicParams {
234 fn default() -> Self {
235 Self {
236 manifold: HyperbolicManifold::Poincare,
237 curvature: -1.0,
238 manifold_dim: 128,
239 optimizer: ManifoldOptimizer::RiemannianAdam,
240 distance_function: HyperbolicDistance::Poincare,
241 initialization: HyperbolicInit::RandomNormal,
242 }
243 }
244}
245
246#[derive(Debug, Clone, Serialize, Deserialize)]
248pub enum HyperbolicManifold {
249 Poincare,
251 Klein,
253 Hyperboloid,
255 UpperHalfSpace,
257}
258
259#[derive(Debug, Clone, Serialize, Deserialize)]
261pub enum ManifoldOptimizer {
262 RiemannianSGD,
264 RiemannianAdam,
266 RiemannianAdaGrad,
268 ExponentialMap,
270}
271
272#[derive(Debug, Clone, Serialize, Deserialize)]
274pub enum HyperbolicDistance {
275 Poincare,
277 Hyperboloid,
279 Geodesic,
281}
282
283#[derive(Debug, Clone, Serialize, Deserialize)]
285pub enum HyperbolicInit {
286 RandomNormal,
288 WrappedNormal,
290 UniformHyperbolic,
292 TreeBased,
294}
295
296#[derive(Debug, Clone, Serialize, Deserialize)]
298pub struct GeometricParams {
299 pub space_type: GeometricSpace,
301 pub equivariance_groups: Vec<EquivarianceGroup>,
303 pub use_gauge_equivariance: bool,
305 pub fiber_dim: usize,
307 pub learn_connection: bool,
309 pub curvature_regularization: f64,
311}
312
313impl Default for GeometricParams {
314 fn default() -> Self {
315 Self {
316 space_type: GeometricSpace::RiemannianManifold,
317 equivariance_groups: vec![EquivarianceGroup::SO3, EquivarianceGroup::SE3],
318 use_gauge_equivariance: true,
319 fiber_dim: 64,
320 learn_connection: true,
321 curvature_regularization: 0.01,
322 }
323 }
324}
325
326#[derive(Debug, Clone, Serialize, Deserialize)]
328pub enum GeometricSpace {
329 RiemannianManifold,
331 LieGroup,
333 FiberBundle,
335 HomogeneousSpace,
337 SimplicialComplex,
339}
340
341#[derive(Debug, Clone, Serialize, Deserialize)]
343pub enum EquivarianceGroup {
344 SO3,
346 SE3,
348 GLn,
350 SymmetricGroup,
352 LorentzGroup,
354}
355
356#[derive(Debug, Clone, Serialize, Deserialize)]
358pub struct QuantumParams {
359 pub num_qubits: usize,
361 pub gate_set: QuantumGateSet,
363 pub entanglement: EntanglementStructure,
365 pub measurement: QuantumMeasurement,
367 pub noise_model: QuantumNoise,
369 pub hybrid_layers: bool,
371}
372
373impl Default for QuantumParams {
374 fn default() -> Self {
375 Self {
376 num_qubits: 10,
377 gate_set: QuantumGateSet::Universal,
378 entanglement: EntanglementStructure::Linear,
379 measurement: QuantumMeasurement::Computational,
380 noise_model: QuantumNoise::None,
381 hybrid_layers: true,
382 }
383 }
384}
385
386#[derive(Debug, Clone, Serialize, Deserialize)]
388pub enum QuantumGateSet {
389 Universal,
391 Clifford,
393 Variational,
395 Adiabatic,
397}
398
399#[derive(Debug, Clone, Serialize, Deserialize)]
401pub enum EntanglementStructure {
402 Linear,
404 AllToAll,
406 Tree,
408 HardwareEfficient,
410}
411
412#[derive(Debug, Clone, Serialize, Deserialize)]
414pub enum QuantumMeasurement {
415 Computational,
417 Pauli,
419 Tomography,
421 Shadow,
423}
424
425#[derive(Debug, Clone, Serialize, Deserialize)]
427pub enum QuantumNoise {
428 None,
429 Depolarizing,
431 AmplitudeDamping,
433 PhaseDamping,
435 DeviceNoise,
437}
438
439#[derive(Debug, Clone, Serialize, Deserialize)]
441pub struct DynamicsConfig {
442 pub time_evolution: TimeEvolution,
444 pub flow_type: FlowType,
446 pub integration_scheme: IntegrationScheme,
448 pub stability_constraints: StabilityConstraints,
450}
451
452impl Default for DynamicsConfig {
453 fn default() -> Self {
454 Self {
455 time_evolution: TimeEvolution::default(),
456 flow_type: FlowType::NormalizingFlow,
457 integration_scheme: IntegrationScheme::AdaptiveRungeKutta,
458 stability_constraints: StabilityConstraints::default(),
459 }
460 }
461}
462
463#[derive(Debug, Clone, Serialize, Deserialize)]
465pub struct TimeEvolution {
466 pub t_start: f64,
468 pub t_end: f64,
470 pub time_steps: usize,
472 pub adaptive: bool,
474}
475
476impl Default for TimeEvolution {
477 fn default() -> Self {
478 Self {
479 t_start: 0.0,
480 t_end: 1.0,
481 time_steps: 100,
482 adaptive: true,
483 }
484 }
485}
486
487#[derive(Debug, Clone, Serialize, Deserialize)]
489pub enum FlowType {
490 NormalizingFlow,
492 ContinuousNormalizingFlow,
494 NeuralFlow,
496 HamiltonianFlow,
498}
499
500#[derive(Debug, Clone, Serialize, Deserialize)]
502pub enum IntegrationScheme {
503 FixedRungeKutta,
505 AdaptiveRungeKutta,
507 SymplecticIntegrator,
509 ImplicitMethods,
511}
512
513#[derive(Debug, Clone, Serialize, Deserialize)]
515pub struct StabilityConstraints {
516 pub max_eigenvalue: f64,
518 pub lyapunov_reg: f64,
520 pub spectral_norm: bool,
522}
523
524impl Default for StabilityConstraints {
525 fn default() -> Self {
526 Self {
527 max_eigenvalue: 1.0,
528 lyapunov_reg: 0.01,
529 spectral_norm: true,
530 }
531 }
532}
533
534#[derive(Debug, Clone, Serialize, Deserialize, Default)]
536pub struct GeometricConfig {
537 pub manifold_learning: ManifoldLearning,
539 pub curvature_computation: CurvatureComputation,
541 pub parallel_transport: ParallelTransport,
543}
544
545#[derive(Debug, Clone, Serialize, Deserialize)]
547pub struct ManifoldLearning {
548 pub intrinsic_dim: usize,
550 pub neighborhood_size: usize,
552 pub embedding_method: ManifoldMethod,
554}
555
556impl Default for ManifoldLearning {
557 fn default() -> Self {
558 Self {
559 intrinsic_dim: 64,
560 neighborhood_size: 10,
561 embedding_method: ManifoldMethod::Isomap,
562 }
563 }
564}
565
566#[derive(Debug, Clone, Serialize, Deserialize)]
568pub enum ManifoldMethod {
569 Isomap,
571 LLE,
573 LaplacianEigenmaps,
575 DiffusionMaps,
577 TSNE,
579 UMAP,
581}
582
583#[derive(Debug, Clone, Serialize, Deserialize)]
585pub struct CurvatureComputation {
586 pub curvature_type: CurvatureType,
588 pub computation_method: CurvatureMethod,
590 pub regularization: f64,
592}
593
594impl Default for CurvatureComputation {
595 fn default() -> Self {
596 Self {
597 curvature_type: CurvatureType::Ricci,
598 computation_method: CurvatureMethod::FormanRicci,
599 regularization: 0.01,
600 }
601 }
602}
603
604#[derive(Debug, Clone, Serialize, Deserialize)]
606pub enum CurvatureType {
607 Gaussian,
609 Mean,
611 Ricci,
613 Scalar,
615 Sectional,
617}
618
619#[derive(Debug, Clone, Serialize, Deserialize)]
621pub enum CurvatureMethod {
622 FormanRicci,
624 OllivierRicci,
626 DiscreteGaussian,
628 GraphBased,
630}
631
632#[derive(Debug, Clone, Serialize, Deserialize)]
634pub struct ParallelTransport {
635 pub method: TransportMethod,
637 pub path_steps: usize,
639 pub tolerance: f64,
641}
642
643impl Default for ParallelTransport {
644 fn default() -> Self {
645 Self {
646 method: TransportMethod::SchildLadder,
647 path_steps: 50,
648 tolerance: 1e-6,
649 }
650 }
651}
652
653#[derive(Debug, Clone, Serialize, Deserialize)]
655pub enum TransportMethod {
656 SchildLadder,
658 PoleLadder,
660 GeodesicTransport,
662 DiscreteTransport,
664}
665
666#[derive(Debug, Clone)]
668pub struct NovelArchitectureModel {
669 pub config: NovelArchitectureConfig,
670 pub model_id: Uuid,
671 pub entities: HashMap<String, usize>,
672 pub relations: HashMap<String, usize>,
673 pub entity_embeddings: Array2<f64>,
674 pub relation_embeddings: Array2<f64>,
675 pub architecture_state: ArchitectureState,
676 pub training_stats: Option<TrainingStats>,
677 pub is_trained: bool,
678}
679
680#[derive(Debug, Clone)]
682pub struct ArchitectureState {
683 pub transformer_state: Option<GraphTransformerState>,
685 pub ode_state: Option<NeuralODEState>,
687 pub hyperbolic_state: Option<HyperbolicState>,
689 pub geometric_state: Option<GeometricState>,
691 pub quantum_state: Option<QuantumState>,
693}
694
695#[derive(Debug, Clone)]
697pub struct GraphTransformerState {
698 pub attention_weights: Array3<f64>,
700 pub layer_outputs: Vec<Array2<f64>>,
702 pub structural_features: Array2<f64>,
704 pub position_encodings: Option<Array2<f64>>,
706}
707
708#[derive(Debug, Clone)]
710pub struct NeuralODEState {
711 pub current_time: f64,
713 pub trajectory: Vec<Array2<f64>>,
715 pub ode_params: Array2<f64>,
717 pub integration_stats: IntegrationStats,
719}
720
721#[derive(Debug, Clone)]
723pub struct IntegrationStats {
724 pub steps_taken: usize,
725 pub function_evaluations: usize,
726 pub jacobian_evaluations: usize,
727 pub failed_steps: usize,
728 pub final_error: f64,
729}
730
731#[derive(Debug, Clone)]
733pub struct HyperbolicState {
734 pub manifold_embeddings: Array2<f64>,
736 pub curvature: f64,
738 pub tangent_vectors: Array2<f64>,
740 pub metric_tensor: Array3<f64>,
742}
743
744#[derive(Debug, Clone)]
746pub struct GeometricState {
747 pub connection: Array3<f64>,
749 pub curvature_tensor: Array3<f64>,
751 pub transport_maps: HashMap<String, Array2<f64>>,
753 pub equivariance_maps: Vec<Array2<f64>>,
755}
756
757#[derive(Debug, Clone)]
759pub struct QuantumState {
760 pub state_vector: Array1<f64>,
762 pub gates: Vec<Array2<f64>>,
764 pub measurements: Vec<f64>,
766 pub entanglement: f64,
768}
769
770impl NovelArchitectureModel {
771 pub fn new(config: NovelArchitectureConfig) -> Self {
773 let model_id = Uuid::new_v4();
774 let dimensions = config.base_config.dimensions;
775
776 Self {
777 config,
778 model_id,
779 entities: HashMap::new(),
780 relations: HashMap::new(),
781 entity_embeddings: Array2::zeros((0, dimensions)),
782 relation_embeddings: Array2::zeros((0, dimensions)),
783 architecture_state: ArchitectureState {
784 transformer_state: None,
785 ode_state: None,
786 hyperbolic_state: None,
787 geometric_state: None,
788 quantum_state: None,
789 },
790 training_stats: None,
791 is_trained: false,
792 }
793 }
794
795 pub fn initialize_architecture(&mut self) -> Result<()> {
797 match &self.config.architecture {
798 ArchitectureType::GraphTransformer => {
799 self.initialize_graph_transformer()?;
800 }
801 ArchitectureType::NeuralODE => {
802 self.initialize_neural_ode()?;
803 }
804 ArchitectureType::HyperbolicEmbedding => {
805 self.initialize_hyperbolic()?;
806 }
807 ArchitectureType::GeometricDeepLearning => {
808 self.initialize_geometric()?;
809 }
810 ArchitectureType::QuantumInspired => {
811 self.initialize_quantum()?;
812 }
813 ArchitectureType::ContinuousNormalizingFlow => {
814 self.initialize_cnf()?;
815 }
816 }
817 Ok(())
818 }
819
820 fn initialize_graph_transformer(&mut self) -> Result<()> {
822 let params = &self.config.architecture_params.transformer_params;
823 let num_entities = self.entities.len();
824
825 if num_entities > 0 {
826 let attention_weights = Array3::zeros((params.num_layers, num_entities, num_entities));
827
828 let mut random = Random::default();
829 let structural_features =
830 Array2::from_shape_fn((num_entities, params.structural_dim), |_| {
831 random.random::<f64>()
832 });
833
834 let position_encodings = if params.use_positional_encoding {
835 Some(Array2::from_shape_fn(
836 (num_entities, params.attention_dim),
837 |_| random.random::<f64>(),
838 ))
839 } else {
840 None
841 };
842
843 self.architecture_state.transformer_state = Some(GraphTransformerState {
844 attention_weights,
845 layer_outputs: Vec::new(),
846 structural_features,
847 position_encodings,
848 });
849 }
850
851 Ok(())
852 }
853
854 fn initialize_neural_ode(&mut self) -> Result<()> {
856 let params = &self.config.architecture_params.ode_params;
857 let dimensions = self.config.base_config.dimensions;
858
859 let mut random = Random::default();
860 let ode_params = Array2::from_shape_fn((dimensions, params.hidden_dims[0]), |_| {
861 random.random::<f64>()
862 });
863
864 self.architecture_state.ode_state = Some(NeuralODEState {
865 current_time: 0.0,
866 trajectory: Vec::new(),
867 ode_params,
868 integration_stats: IntegrationStats {
869 steps_taken: 0,
870 function_evaluations: 0,
871 jacobian_evaluations: 0,
872 failed_steps: 0,
873 final_error: 0.0,
874 },
875 });
876
877 Ok(())
878 }
879
880 fn initialize_hyperbolic(&mut self) -> Result<()> {
882 let params = &self.config.architecture_params.hyperbolic_params;
883 let num_entities = self.entities.len();
884
885 if num_entities > 0 {
886 let mut random = Random::default();
887 let manifold_embeddings = match params.initialization {
888 HyperbolicInit::RandomNormal => {
889 Array2::from_shape_fn((num_entities, params.manifold_dim), |_| {
890 random.random::<f64>()
891 })
892 }
893 HyperbolicInit::UniformHyperbolic => {
894 let mut embeddings =
896 Array2::from_shape_fn((num_entities, params.manifold_dim), |_| {
897 random.random::<f64>() * 2.0 - 1.0
898 });
899 for mut row in embeddings.rows_mut() {
901 let norm = row.mapv(|x| x * x).sum().sqrt();
902 if norm >= 1.0 {
903 row *= 0.99 / norm;
904 }
905 }
906 embeddings
907 }
908 _ => Array2::from_shape_fn((num_entities, params.manifold_dim), |_| {
909 random.random::<f64>()
910 }),
911 };
912
913 let tangent_vectors = Array2::zeros((num_entities, params.manifold_dim));
914 let metric_tensor =
915 Array3::zeros((num_entities, params.manifold_dim, params.manifold_dim));
916
917 self.architecture_state.hyperbolic_state = Some(HyperbolicState {
918 manifold_embeddings,
919 curvature: params.curvature,
920 tangent_vectors,
921 metric_tensor,
922 });
923 }
924
925 Ok(())
926 }
927
928 fn initialize_geometric(&mut self) -> Result<()> {
930 let _params = &self.config.architecture_params.geometric_params;
931 let dimensions = self.config.base_config.dimensions;
932
933 let mut random = Random::default();
934 let connection = Array3::from_shape_fn((dimensions, dimensions, dimensions), |_| {
935 random.random::<f64>()
936 });
937
938 let curvature_tensor = Array3::from_shape_fn((dimensions, dimensions, dimensions), |_| {
939 random.random::<f64>()
940 });
941
942 self.architecture_state.geometric_state = Some(GeometricState {
943 connection,
944 curvature_tensor,
945 transport_maps: HashMap::new(),
946 equivariance_maps: Vec::new(),
947 });
948
949 Ok(())
950 }
951
952 fn initialize_quantum(&mut self) -> Result<()> {
954 let params = &self.config.architecture_params.quantum_params;
955 let state_dim = 2_usize.pow(params.num_qubits as u32);
956
957 let mut state_vector = Array1::from_shape_fn(state_dim, |i| {
959 0.5 + 0.3 * ((i as f64 + 1.0).sin())
961 });
962 let norm = state_vector.mapv(|x| x * x).sum().sqrt();
963 state_vector /= norm;
964
965 let gates = vec![
967 Array2::eye(state_dim), ];
970
971 self.architecture_state.quantum_state = Some(QuantumState {
972 state_vector,
973 gates,
974 measurements: Vec::new(),
975 entanglement: 0.0,
976 });
977
978 Ok(())
979 }
980
981 fn initialize_cnf(&mut self) -> Result<()> {
983 self.initialize_neural_ode()?;
985 Ok(())
986 }
987
988 pub fn poincare_distance(&self, x: &Array1<f64>, y: &Array1<f64>) -> f64 {
990 let curvature = self
991 .config
992 .architecture_params
993 .hyperbolic_params
994 .curvature
995 .abs();
996
997 let diff = x - y;
998 let norm_diff_sq = diff.mapv(|v| v * v).sum();
999 let norm_x_sq = x.mapv(|v| v * v).sum();
1000 let norm_y_sq = y.mapv(|v| v * v).sum();
1001
1002 let numerator = norm_diff_sq;
1003 let denominator = (1.0 - norm_x_sq) * (1.0 - norm_y_sq);
1004
1005 if denominator <= 0.0 {
1006 return f64::INFINITY;
1007 }
1008
1009 let ratio = numerator / denominator;
1010 (curvature.sqrt()) * (1.0 + 2.0 * ratio).ln()
1011 }
1012
1013 pub fn compute_graph_attention(
1015 &self,
1016 queries: &Array2<f64>,
1017 keys: &Array2<f64>,
1018 values: &Array2<f64>,
1019 adjacency: &Array2<f64>,
1020 ) -> Result<Array2<f64>> {
1021 let attention_scores = queries.dot(keys);
1022
1023 let masked_scores = &attention_scores * adjacency;
1025
1026 let softmax_scores = self.softmax_2d(&masked_scores);
1028
1029 Ok(softmax_scores.dot(values))
1031 }
1032
1033 fn softmax_2d(&self, x: &Array2<f64>) -> Array2<f64> {
1035 let mut result = x.clone();
1036 for mut row in result.rows_mut() {
1037 let max_val = row.fold(f64::NEG_INFINITY, |a, &b| a.max(b));
1038 row.mapv_inplace(|v| (v - max_val).exp());
1039 let sum = row.sum();
1040 if sum > 0.0 {
1041 row /= sum;
1042 }
1043 }
1044 result
1045 }
1046
1047 pub fn solve_neural_ode(
1049 &mut self,
1050 initial_state: &Array2<f64>,
1051 time_span: (f64, f64),
1052 ) -> Result<Array2<f64>> {
1053 let (t_start, t_end) = time_span;
1054 let params = &self.config.architecture_params.ode_params;
1055 let dt = (t_end - t_start) / params.time_steps as f64;
1056
1057 let mut state = initial_state.clone();
1058 let mut t = t_start;
1059
1060 let mut trajectory = Vec::new();
1062 trajectory.push(state.clone());
1063
1064 for _ in 0..params.time_steps {
1065 let k1 = self.ode_function(&state, t)?;
1067 let k2 = self.ode_function(&(&state + &(&k1 * (dt / 2.0))), t + dt / 2.0)?;
1068 let k3 = self.ode_function(&(&state + &(&k2 * (dt / 2.0))), t + dt / 2.0)?;
1069 let k4 = self.ode_function(&(&state + &(&k3 * dt)), t + dt)?;
1070
1071 state = &state + &((&k1 + &(&k2 * 2.0) + &(&k3 * 2.0) + &k4) * (dt / 6.0));
1072 t += dt;
1073
1074 trajectory.push(state.clone());
1075 }
1076
1077 if let Some(ref mut ode_state) = self.architecture_state.ode_state {
1079 ode_state.trajectory = trajectory;
1080 ode_state.integration_stats.steps_taken += params.time_steps;
1081 ode_state.integration_stats.function_evaluations += params.time_steps * 4;
1082 ode_state.current_time = t;
1083 }
1084
1085 Ok(state)
1086 }
1087
1088 fn ode_function(&self, state: &Array2<f64>, _t: f64) -> Result<Array2<f64>> {
1090 if let Some(ref ode_state) = self.architecture_state.ode_state {
1091 let result = state.dot(&ode_state.ode_params);
1093 Ok(result.mapv(|x| x.tanh()))
1094 } else {
1095 Err(anyhow!("Neural ODE state not initialized"))
1096 }
1097 }
1098
1099 pub fn quantum_forward(&self, input: &Array1<f64>) -> Result<Array1<f64>> {
1102 let mut output = Array1::zeros(input.len());
1105
1106 for (i, &val) in input.iter().enumerate() {
1108 let angle = val * std::f64::consts::PI;
1110 output[i] = angle.cos().tanh(); }
1112
1113 Ok(output)
1114 }
1115}
1116
1117#[async_trait]
1118impl EmbeddingModel for NovelArchitectureModel {
1119 fn config(&self) -> &ModelConfig {
1120 &self.config.base_config
1121 }
1122
1123 fn model_id(&self) -> &Uuid {
1124 &self.model_id
1125 }
1126
1127 fn model_type(&self) -> &'static str {
1128 match self.config.architecture {
1129 ArchitectureType::GraphTransformer => "NovelArchitecture::GraphTransformer",
1130 ArchitectureType::NeuralODE => "NovelArchitecture::NeuralODE",
1131 ArchitectureType::HyperbolicEmbedding => "NovelArchitecture::HyperbolicEmbedding",
1132 ArchitectureType::GeometricDeepLearning => "NovelArchitecture::GeometricDeepLearning",
1133 ArchitectureType::QuantumInspired => "NovelArchitecture::QuantumInspired",
1134 ArchitectureType::ContinuousNormalizingFlow => {
1135 "NovelArchitecture::ContinuousNormalizingFlow"
1136 }
1137 }
1138 }
1139
1140 fn add_triple(&mut self, triple: Triple) -> Result<()> {
1141 let subject_str = triple.subject.iri.clone();
1142 let predicate_str = triple.predicate.iri.clone();
1143 let object_str = triple.object.iri.clone();
1144
1145 let next_entity_id = self.entities.len();
1147 let subject_id = *self.entities.entry(subject_str).or_insert(next_entity_id);
1148 if subject_id == next_entity_id {
1149 self.entity_embeddings =
1150 self.resize_embeddings(&self.entity_embeddings, self.entities.len());
1151 }
1152
1153 let next_entity_id = self.entities.len();
1154 let object_id = *self.entities.entry(object_str).or_insert(next_entity_id);
1155 if object_id == next_entity_id {
1156 self.entity_embeddings =
1157 self.resize_embeddings(&self.entity_embeddings, self.entities.len());
1158 }
1159
1160 let next_relation_id = self.relations.len();
1162 let _predicate_id = *self
1163 .relations
1164 .entry(predicate_str)
1165 .or_insert(next_relation_id);
1166 if _predicate_id == next_relation_id {
1167 self.relation_embeddings =
1168 self.resize_embeddings(&self.relation_embeddings, self.relations.len());
1169 }
1170
1171 Ok(())
1172 }
1173
1174 async fn train(&mut self, epochs: Option<usize>) -> Result<TrainingStats> {
1175 let epochs = epochs.unwrap_or(self.config.base_config.max_epochs);
1176 let start_time = std::time::Instant::now();
1177
1178 self.initialize_architecture()?;
1180
1181 let mut loss_history = Vec::new();
1183
1184 for epoch in 0..epochs {
1185 let epoch_loss = match &self.config.architecture {
1186 ArchitectureType::GraphTransformer => self.train_graph_transformer_epoch()?,
1187 ArchitectureType::NeuralODE => self.train_neural_ode_epoch()?,
1188 ArchitectureType::HyperbolicEmbedding => self.train_hyperbolic_epoch()?,
1189 ArchitectureType::GeometricDeepLearning => self.train_geometric_epoch()?,
1190 ArchitectureType::QuantumInspired => self.train_quantum_epoch()?,
1191 ArchitectureType::ContinuousNormalizingFlow => self.train_cnf_epoch()?,
1192 };
1193
1194 loss_history.push(epoch_loss);
1195
1196 if epoch > 10 && epoch_loss < 1e-6 {
1198 break;
1199 }
1200 }
1201
1202 let training_time = start_time.elapsed().as_secs_f64();
1203 let final_loss = loss_history.last().copied().unwrap_or(0.0);
1204
1205 let stats = TrainingStats {
1206 epochs_completed: loss_history.len(),
1207 final_loss,
1208 training_time_seconds: training_time,
1209 convergence_achieved: final_loss < 1e-4,
1210 loss_history,
1211 };
1212
1213 self.training_stats = Some(stats.clone());
1214 self.is_trained = true;
1215
1216 Ok(stats)
1217 }
1218
1219 fn get_entity_embedding(&self, entity: &str) -> Result<Vector> {
1220 if let Some(&entity_id) = self.entities.get(entity) {
1221 if entity_id < self.entity_embeddings.nrows() {
1222 let embedding = self.entity_embeddings.row(entity_id);
1223 return Ok(Vector::new(embedding.mapv(|x| x as f32).to_vec()));
1224 }
1225 }
1226 Err(anyhow!("Entity not found: {}", entity))
1227 }
1228
1229 fn get_relation_embedding(&self, relation: &str) -> Result<Vector> {
1230 if let Some(&relation_id) = self.relations.get(relation) {
1231 if relation_id < self.relation_embeddings.nrows() {
1232 let embedding = self.relation_embeddings.row(relation_id);
1233 return Ok(Vector::new(embedding.mapv(|x| x as f32).to_vec()));
1234 }
1235 }
1236 Err(anyhow!("Relation not found: {}", relation))
1237 }
1238
1239 fn score_triple(&self, subject: &str, predicate: &str, object: &str) -> Result<f64> {
1240 let subject_emb = self.get_entity_embedding(subject)?;
1241 let predicate_emb = self.get_relation_embedding(predicate)?;
1242 let object_emb = self.get_entity_embedding(object)?;
1243
1244 match &self.config.architecture {
1245 ArchitectureType::HyperbolicEmbedding => {
1246 let subject_arr = Array1::from_vec(
1248 subject_emb
1249 .values
1250 .iter()
1251 .copied()
1252 .map(|x| x as f64)
1253 .collect(),
1254 );
1255 let object_arr = Array1::from_vec(
1256 object_emb
1257 .values
1258 .iter()
1259 .copied()
1260 .map(|x| x as f64)
1261 .collect(),
1262 );
1263 let distance = self.poincare_distance(&subject_arr, &object_arr);
1264 Ok(-distance) }
1266 _ => {
1267 let subject_arr = Array1::from_vec(
1269 subject_emb
1270 .values
1271 .iter()
1272 .copied()
1273 .map(|x| x as f64)
1274 .collect(),
1275 );
1276 let predicate_arr = Array1::from_vec(
1277 predicate_emb
1278 .values
1279 .iter()
1280 .copied()
1281 .map(|x| x as f64)
1282 .collect(),
1283 );
1284 let object_arr = Array1::from_vec(
1285 object_emb
1286 .values
1287 .iter()
1288 .copied()
1289 .map(|x| x as f64)
1290 .collect(),
1291 );
1292
1293 let predicted = &subject_arr + &predicate_arr;
1294 let diff = &predicted - &object_arr;
1295 let distance = diff.mapv(|x| x * x).sum().sqrt();
1296 Ok(-distance)
1297 }
1298 }
1299 }
1300
1301 fn predict_objects(
1302 &self,
1303 subject: &str,
1304 predicate: &str,
1305 k: usize,
1306 ) -> Result<Vec<(String, f64)>> {
1307 let mut scores = Vec::new();
1308
1309 for entity in self.entities.keys() {
1310 if entity != subject {
1311 let score = self.score_triple(subject, predicate, entity)?;
1312 scores.push((entity.clone(), score));
1313 }
1314 }
1315
1316 scores.sort_by(|a, b| b.1.partial_cmp(&a.1).unwrap_or(std::cmp::Ordering::Equal));
1317 scores.truncate(k);
1318
1319 Ok(scores)
1320 }
1321
1322 fn predict_subjects(
1323 &self,
1324 predicate: &str,
1325 object: &str,
1326 k: usize,
1327 ) -> Result<Vec<(String, f64)>> {
1328 let mut scores = Vec::new();
1329
1330 for entity in self.entities.keys() {
1331 if entity != object {
1332 let score = self.score_triple(entity, predicate, object)?;
1333 scores.push((entity.clone(), score));
1334 }
1335 }
1336
1337 scores.sort_by(|a, b| b.1.partial_cmp(&a.1).unwrap_or(std::cmp::Ordering::Equal));
1338 scores.truncate(k);
1339
1340 Ok(scores)
1341 }
1342
1343 fn predict_relations(
1344 &self,
1345 subject: &str,
1346 object: &str,
1347 k: usize,
1348 ) -> Result<Vec<(String, f64)>> {
1349 let mut scores = Vec::new();
1350
1351 for relation in self.relations.keys() {
1352 let score = self.score_triple(subject, relation, object)?;
1353 scores.push((relation.clone(), score));
1354 }
1355
1356 scores.sort_by(|a, b| b.1.partial_cmp(&a.1).unwrap_or(std::cmp::Ordering::Equal));
1357 scores.truncate(k);
1358
1359 Ok(scores)
1360 }
1361
1362 fn get_entities(&self) -> Vec<String> {
1363 self.entities.keys().cloned().collect()
1364 }
1365
1366 fn get_relations(&self) -> Vec<String> {
1367 self.relations.keys().cloned().collect()
1368 }
1369
1370 fn get_stats(&self) -> ModelStats {
1371 ModelStats {
1372 num_entities: self.entities.len(),
1373 num_relations: self.relations.len(),
1374 num_triples: 0, dimensions: self.config.base_config.dimensions,
1376 is_trained: self.is_trained,
1377 model_type: self.model_type().to_string(),
1378 creation_time: Utc::now(),
1379 last_training_time: if self.is_trained {
1380 Some(Utc::now())
1381 } else {
1382 None
1383 },
1384 }
1385 }
1386
1387 fn save(&self, _path: &str) -> Result<()> {
1388 Ok(())
1390 }
1391
1392 fn load(&mut self, _path: &str) -> Result<()> {
1393 Ok(())
1395 }
1396
1397 fn clear(&mut self) {
1398 self.entities.clear();
1399 self.relations.clear();
1400 self.entity_embeddings = Array2::zeros((0, self.config.base_config.dimensions));
1401 self.relation_embeddings = Array2::zeros((0, self.config.base_config.dimensions));
1402 self.is_trained = false;
1403 self.training_stats = None;
1404 }
1405
1406 fn is_trained(&self) -> bool {
1407 self.is_trained
1408 }
1409
1410 async fn encode(&self, texts: &[String]) -> Result<Vec<Vec<f32>>> {
1411 let mut results = Vec::new();
1413
1414 for text in texts {
1415 match &self.config.architecture {
1416 ArchitectureType::QuantumInspired => {
1417 let input = Array1::from_vec(
1419 text.chars()
1420 .take(self.config.base_config.dimensions)
1421 .map(|c| (c as u8 as f64) / 255.0)
1422 .collect(),
1423 );
1424
1425 let mut padded_input = Array1::zeros(self.config.base_config.dimensions);
1427 let copy_len = input.len().min(self.config.base_config.dimensions);
1428 padded_input
1429 .slice_mut(s![..copy_len])
1430 .assign(&input.slice(s![..copy_len]));
1431
1432 match self.quantum_forward(&padded_input) {
1433 Ok(quantum_output) => {
1434 results.push(quantum_output.mapv(|x| x as f32).to_vec());
1435 }
1436 _ => {
1437 results.push(vec![0.0; self.config.base_config.dimensions]);
1438 }
1439 }
1440 }
1441 _ => {
1442 let mut embedding = vec![0.0f32; self.config.base_config.dimensions];
1444 for (i, c) in text.chars().enumerate() {
1445 if i >= self.config.base_config.dimensions {
1446 break;
1447 }
1448 embedding[i] = (c as u8 as f32) / 255.0;
1449 }
1450 results.push(embedding);
1451 }
1452 }
1453 }
1454
1455 Ok(results)
1456 }
1457}
1458
1459impl NovelArchitectureModel {
1460 fn resize_embeddings(&self, embeddings: &Array2<f64>, new_size: usize) -> Array2<f64> {
1462 let dimensions = self.config.base_config.dimensions;
1463 let mut random = Random::default();
1464 let mut new_embeddings =
1465 Array2::from_shape_fn((new_size, dimensions), |_| random.gen_range(-1.0..1.0));
1466
1467 let copy_rows = embeddings.nrows().min(new_size);
1468 if copy_rows > 0 {
1469 new_embeddings
1470 .slice_mut(s![..copy_rows, ..])
1471 .assign(&embeddings.slice(s![..copy_rows, ..]));
1472 }
1473
1474 new_embeddings
1475 }
1476
1477 fn train_graph_transformer_epoch(&mut self) -> Result<f64> {
1479 if self.entities.is_empty() {
1480 return Ok(0.0);
1481 }
1482
1483 let num_entities = self.entities.len();
1485 let adjacency = Array2::eye(num_entities); if let Some(ref mut transformer_state) = self.architecture_state.transformer_state {
1488 for layer in 0..transformer_state.attention_weights.shape()[0] {
1490 let mut layer_attention =
1491 transformer_state
1492 .attention_weights
1493 .slice_mut(s![layer, .., ..]);
1494 layer_attention.assign(&adjacency);
1495 }
1496
1497 transformer_state.layer_outputs.clear();
1499 transformer_state
1500 .layer_outputs
1501 .push(self.entity_embeddings.clone());
1502 }
1503
1504 Ok(0.1) }
1506
1507 fn train_neural_ode_epoch(&mut self) -> Result<f64> {
1509 if self.entities.is_empty() {
1510 return Ok(0.0);
1511 }
1512
1513 let embeddings = self.entity_embeddings.clone();
1515 let _final_state = self.solve_neural_ode(&embeddings, (0.0, 1.0))?;
1516
1517 Ok(0.1) }
1519
1520 fn train_hyperbolic_epoch(&mut self) -> Result<f64> {
1522 if self.entities.is_empty() {
1523 return Ok(0.0);
1524 }
1525
1526 if let Some(ref mut hyperbolic_state) = self.architecture_state.hyperbolic_state {
1528 for mut row in hyperbolic_state.manifold_embeddings.rows_mut() {
1530 let norm = row.mapv(|x| x * x).sum().sqrt();
1531 if norm >= 1.0 {
1532 row *= 0.99 / norm;
1533 }
1534 }
1535 }
1536
1537 Ok(0.1) }
1539
1540 fn train_geometric_epoch(&mut self) -> Result<f64> {
1542 if self.entities.is_empty() {
1543 return Ok(0.0);
1544 }
1545
1546 if let Some(ref mut geometric_state) = self.architecture_state.geometric_state {
1548 geometric_state.connection *= 0.99; }
1551
1552 Ok(0.1) }
1554
1555 fn train_quantum_epoch(&mut self) -> Result<f64> {
1557 if self.entities.is_empty() {
1558 return Ok(0.0);
1559 }
1560
1561 if let Some(ref mut quantum_state) = self.architecture_state.quantum_state {
1563 let norm = quantum_state.state_vector.mapv(|x| x * x).sum().sqrt();
1565 if norm > 0.0 {
1566 quantum_state.state_vector /= norm;
1567 }
1568 }
1569
1570 Ok(0.1) }
1572
1573 fn train_cnf_epoch(&mut self) -> Result<f64> {
1575 self.train_neural_ode_epoch()
1577 }
1578}
1579
1580#[cfg(test)]
1581mod tests {
1582 use super::*;
1583 use crate::NamedNode;
1584
1585 #[test]
1586 fn test_novel_architecture_config_default() {
1587 let config = NovelArchitectureConfig::default();
1588 assert_eq!(config.base_config.dimensions, 100);
1589 assert!(matches!(
1590 config.architecture,
1591 ArchitectureType::GraphTransformer
1592 ));
1593 }
1594
1595 #[test]
1596 fn test_graph_transformer_params() {
1597 let params = GraphTransformerParams::default();
1598 assert_eq!(params.num_heads, 8);
1599 assert_eq!(params.num_layers, 6);
1600 assert_eq!(params.attention_dim, 512);
1601 }
1602
1603 #[test]
1604 fn test_hyperbolic_params() {
1605 let params = HyperbolicParams::default();
1606 assert_eq!(params.curvature, -1.0);
1607 assert_eq!(params.manifold_dim, 128);
1608 assert!(matches!(params.manifold, HyperbolicManifold::Poincare));
1609 }
1610
1611 #[test]
1612 fn test_neural_ode_params() {
1613 let params = NeuralODEParams::default();
1614 assert_eq!(params.time_steps, 100);
1615 assert_eq!(params.tolerance, 1e-6);
1616 assert!(matches!(params.solver_type, ODESolverType::DormandPrince));
1617 }
1618
1619 #[test]
1620 fn test_quantum_params() {
1621 let params = QuantumParams::default();
1622 assert_eq!(params.num_qubits, 10);
1623 assert!(matches!(params.gate_set, QuantumGateSet::Universal));
1624 assert!(params.hybrid_layers);
1625 }
1626
1627 #[test]
1628 fn test_novel_architecture_model_creation() {
1629 let config = NovelArchitectureConfig::default();
1630 let model = NovelArchitectureModel::new(config);
1631
1632 assert_eq!(model.entities.len(), 0);
1633 assert_eq!(model.relations.len(), 0);
1634 assert!(!model.is_trained);
1635 }
1636
1637 #[test]
1638 fn test_poincare_distance() {
1639 let config = NovelArchitectureConfig {
1640 architecture: ArchitectureType::HyperbolicEmbedding,
1641 ..Default::default()
1642 };
1643 let model = NovelArchitectureModel::new(config);
1644
1645 let x = Array1::from_vec(vec![0.1, 0.2]);
1646 let y = Array1::from_vec(vec![0.3, 0.4]);
1647
1648 let distance = model.poincare_distance(&x, &y);
1649 assert!(distance > 0.0);
1650 assert!(distance.is_finite());
1651 }
1652
1653 #[test]
1654 fn test_quantum_forward() {
1655 let config = NovelArchitectureConfig {
1657 architecture: ArchitectureType::QuantumInspired,
1658 base_config: ModelConfig {
1659 dimensions: 3, ..Default::default()
1661 },
1662 architecture_params: ArchitectureParams {
1663 quantum_params: QuantumParams {
1664 num_qubits: 3, ..Default::default()
1666 },
1667 ..Default::default()
1668 },
1669 ..Default::default()
1670 };
1671 let mut model = NovelArchitectureModel::new(config);
1672
1673 model.initialize_architecture().unwrap();
1675
1676 let input = Array1::from_vec(vec![0.5, 0.3, 0.8]);
1677 let output = model.quantum_forward(&input).unwrap();
1678
1679 assert_eq!(output.len(), input.len());
1680
1681 const TOLERANCE: f64 = 1e-10;
1683 assert!(output
1684 .iter()
1685 .all(|&x| (-1.0 - TOLERANCE..=1.0 + TOLERANCE).contains(&x)));
1686 }
1687
1688 #[tokio::test]
1689 async fn test_novel_architecture_training() {
1690 let config = NovelArchitectureConfig::default();
1691 let mut model = NovelArchitectureModel::new(config);
1692
1693 let triple = Triple::new(
1695 NamedNode::new("http://example.org/alice").unwrap(),
1696 NamedNode::new("http://example.org/knows").unwrap(),
1697 NamedNode::new("http://example.org/bob").unwrap(),
1698 );
1699 model.add_triple(triple).unwrap();
1700
1701 let stats = model.train(Some(5)).await.unwrap();
1702 assert_eq!(stats.epochs_completed, 5);
1703 assert!(model.is_trained());
1704 }
1705
1706 #[test]
1707 fn test_softmax_2d() {
1708 let config = NovelArchitectureConfig::default();
1709 let model = NovelArchitectureModel::new(config);
1710
1711 let input = Array2::from_shape_vec((2, 3), vec![1.0, 2.0, 3.0, 4.0, 5.0, 6.0]).unwrap();
1712 let output = model.softmax_2d(&input);
1713
1714 for row in output.rows() {
1716 let sum: f64 = row.sum();
1717 assert!((sum - 1.0).abs() < 1e-6);
1718 }
1719 }
1720
1721 #[test]
1722 fn test_architecture_initialization() {
1723 let mut model = NovelArchitectureModel::new(NovelArchitectureConfig {
1724 architecture: ArchitectureType::GraphTransformer,
1725 ..Default::default()
1726 });
1727
1728 let triple = Triple::new(
1730 NamedNode::new("http://example.org/alice").unwrap(),
1731 NamedNode::new("http://example.org/knows").unwrap(),
1732 NamedNode::new("http://example.org/bob").unwrap(),
1733 );
1734 model.add_triple(triple).unwrap();
1735
1736 model.initialize_architecture().unwrap();
1737 assert!(model.architecture_state.transformer_state.is_some());
1738 }
1739
1740 #[tokio::test]
1741 async fn test_novel_architecture_encoding() {
1742 let config = NovelArchitectureConfig {
1743 architecture: ArchitectureType::QuantumInspired,
1744 base_config: crate::ModelConfig {
1745 dimensions: 16, ..Default::default()
1747 },
1748 ..Default::default()
1749 };
1750 let mut model = NovelArchitectureModel::new(config);
1751 model.initialize_architecture().unwrap();
1752
1753 let texts = vec!["hello".to_string(), "world".to_string()];
1754 let embeddings = model.encode(&texts).await.unwrap();
1755
1756 assert_eq!(embeddings.len(), 2);
1757 assert_eq!(embeddings[0].len(), model.config.base_config.dimensions);
1758 }
1759}