diff --git a/.github/workflows/claude-code.yml b/.github/workflows/claude-code.yml index 3107e25..d9fca69 100644 --- a/.github/workflows/claude-code.yml +++ b/.github/workflows/claude-code.yml @@ -37,7 +37,7 @@ jobs: python-version: '3.11' - name: Setup uv - uses: astral-sh/setup-uv@v8 + uses: astral-sh/setup-uv@v8.3.2 with: version: "latest" diff --git a/.github/workflows/marimo-pages.yml b/.github/workflows/marimo-pages.yml index 3cfd180..9ee16a0 100644 --- a/.github/workflows/marimo-pages.yml +++ b/.github/workflows/marimo-pages.yml @@ -29,7 +29,7 @@ jobs: python-version: "3.11" - name: Install uv - uses: astral-sh/setup-uv@v8 + uses: astral-sh/setup-uv@v8.3.2 - name: Install dependencies run: | diff --git a/.github/workflows/python-publish.yml b/.github/workflows/python-publish.yml index 8b8cfd7..bd69c90 100644 --- a/.github/workflows/python-publish.yml +++ b/.github/workflows/python-publish.yml @@ -25,7 +25,7 @@ jobs: with: python-version: '3.11' - - uses: astral-sh/setup-uv@v8 + - uses: astral-sh/setup-uv@v8.3.2 with: version: "latest" diff --git a/.marimo.toml b/.marimo.toml index a404da6..3f6ed4d 100644 --- a/.marimo.toml +++ b/.marimo.toml @@ -1,119 +1,122 @@ -[experimental] -inline_ai_tooltip = false -rtc_v2 = false -secrets = true +[ai] +enabled = true +inline_tooltip = false +mode = "agent" +rules = "Use altair for interactive visualizations and plotly express for interactive 3d plots\nPrefer polars over pandas for data manipulation due to better performance\nInclude docstrings for all functions using NumPy style\nUse Type hints for all function parameters and return values\nHandle errors with try/except blocks and provide informative error messages\nFollow PEP 8 style guidelines\nWhen working with data:\n- Use altair, plotly for declarative visualizations\n- Prefer polars over pandas\n- Ensure proper error handling for data operations\nFor plotting:\n- Use px.scatter for scatter plots\n- Use px.line for time series\n- Include proper axis labels and titles\n- Set appropriate color schemes\nIntegrate mlflow features and patterns, polars\n\n" -[keymap] -destructive_delete = true -preset = "default" +[ai.anthropic] -[keymap.overrides] +[ai.bedrock] -[diagnostics] -sql_linter = true +[ai.custom_providers] -[runtime] -std_stream_max_bytes = 1000000 -default_csv_encoding = "utf-8" -default_sql_output = "native" -default_auto_download = [] -on_cell_change = "autorun" -reactive_tests = true -pythonpath = [".", "src"] -dotenv = [".env"] -watcher_on_save = "lazy" -output_max_bytes = 8000000 -auto_reload = "autorun" -auto_instantiate = true +[ai.google] -[completion] -signature_hint_on_typing = false -base_url = "http://localhost:11434/v1" +[ai.models] +autocomplete_model = "ollama/devstral-small-2:24b-cloud" +chat_model = "ollama/devstral-2:123b-cloud" +custom_models = [] +displayed_models = ["ollama/devstral-2:123b-cloud", "ollama/devstral-small-2:24b-cloud", "ollama/gpt-oss:120b-cloud", "ollama/gpt-oss:20b-cloud"] +edit_model = "ollama/devstral-2:123b-cloud" + +[ai.ollama] api_key = "ollama" +base_url = "http://localhost:11434/v1" model = "gpt-oss:20b-cloud" -copilot = "custom" -activate_on_typing = true -[language_servers.pylsp] -enable_pyflakes = false -enable_mypy = true -enabled = true -enable_pylint = false -enable_pydocstyle = false -enable_flake8 = false -enable_ruff = true +[ai.open_ai] +api_key = "ollama" +base_url = "http://localhost:11434/v1" +model = "gpt-oss:120b-cloud" -[language_servers.basedpyright] +[ai.open_ai_key] -[language_servers.ty] +[completion] +activate_on_typing = true +api_key = "ollama" +auto_close_pairs = true +base_url = "http://localhost:11434/v1" +copilot = "custom" +model = "gpt-oss:20b-cloud" +signature_hint_on_typing = false + +[diagnostics] +sql_linter = true [display] +cell_output = "above" +code_editor_font_size = 14 dataframes = "rich" -reference_highlighting = false default_table_max_columns = 50 -cell_output = "above" default_table_page_size = 10 -theme = "dark" default_width = "medium" -code_editor_font_size = 14 +reference_highlighting = false +theme = "dark" -[package_management] -manager = "uv" +[experimental] +inline_ai_tooltip = false +rtc_v2 = false +secrets = true -[server] -follow_symlink = false -browser = "default" +[formatting] +line_length = 79 -[snippets] -custom_paths = ["snippets"] -include_default_snippets = true +[keymap] +destructive_delete = true +preset = "default" -[ai] -rules = "Use altair for interactive visualizations and plotly express for interactive 3d plots\nPrefer polars over pandas for data manipulation due to better performance\nInclude docstrings for all functions using NumPy style\nUse Type hints for all function parameters and return values\nHandle errors with try/except blocks and provide informative error messages\nFollow PEP 8 style guidelines\nWhen working with data:\n- Use altair, plotly for declarative visualizations\n- Prefer polars over pandas\n- Ensure proper error handling for data operations\nFor plotting:\n- Use px.scatter for scatter plots\n- Use px.line for time series\n- Include proper axis labels and titles\n- Set appropriate color schemes\nIntegrate mlflow features and patterns, polars\n\n" -mode = "manual" -inline_tooltip = false +[keymap.overrides] -[ai.custom_providers] +[language_servers.basedpyright] -[ai.ollama] -api_key = "ollama" -base_url = "http://localhost:11434/v1" -model = "gpt-oss:20b-cloud" +[language_servers.pylsp] +enable_flake8 = false +enable_mypy = true +enable_pydocstyle = false +enable_pyflakes = false +enable_pylint = false +enable_ruff = true +enabled = true -[ai.anthropic] +[language_servers.ty] -[ai.bedrock] +[mcp] +presets = ["marimo", "context7"] -[ai.open_ai] -api_key = "ollama" -base_url = "http://localhost:11434/v1" -model = "gpt-oss:120b-cloud" +[mcp.mcpServers.mlflow] +args = ["mcp", "run"] +command = "mlflow" -[ai.google] +[mcp.mcpServers.mlflow.env] +MLFLOW_TRACKING_URI = "http://localhost:5000" -[ai.models] -custom_models = [] -chat_model = "ollama/devstral-2:123b-cloud" -displayed_models = ["ollama/devstral-2:123b-cloud", "ollama/devstral-small-2:24b-cloud", "ollama/gpt-oss:120b-cloud", "ollama/gpt-oss:20b-cloud"] -autocomplete_model = "ollama/devstral-small-2:24b-cloud" -edit_model = "ollama/devstral-2:123b-cloud" +[package_management] +manager = "uv" -[ai.open_ai_key] +[runtime] +auto_instantiate = true +auto_reload = "autorun" +default_auto_download = [] +default_csv_encoding = "utf-8" +default_sql_output = "native" +dotenv = [".env"] +on_cell_change = "autorun" +output_max_bytes = 8000000 +pythonpath = [".", "src"] +reactive_tests = true +show_tracebacks = false +std_stream_max_bytes = 1000000 +watcher_on_save = "lazy" [save] +autosave = "off" autosave_delay = 1000 format_on_save = false -autosave = "off" -[formatting] -line_length = 79 - -[mcp] -presets = ["marimo", "context7"] - -[mcp.mcpServers.mlflow] -command = "mlflow" -args = ["mcp", "run"] +[server] +browser = "default" +follow_symlink = false -[mcp.mcpServers.mlflow.env] -MLFLOW_TRACKING_URI = "http://localhost:5000" +[snippets] +custom_paths = ["snippets"] +include_default_snippets = true diff --git a/CHANGELOG.md b/CHANGELOG.md index 476e9a9..8ec8f54 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -7,6 +7,28 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ## [Unreleased] +## [0.4.0] - 2026-07-15 + +### Added +- **Parametric heat-rod control feature** (`marimo_flow.control.heat_rod`, `control.pinn_surrogate`): explicit FTCS ground-truth plant (`FiniteDifferenceHeatRod`), a parametric PINN problem builder (`build_heat_rod_problem_spec` — `T(x,t,u)` with the right-boundary temperature `T(1,t,u)=u` as the control input), an MLP reduced-order surrogate (`train_step_surrogate`), and a PINN field-mean → scalar rollout surrogate (`make_pinn_rollout_surrogate` / `register_pinn_surrogate`) for MPC horizon planning. +- **Composition-first control inputs**: `ControlParameterSpec` + `ProblemSpec.control_parameters` (exogenous MPC inputs merged into `domain_bounds` and sampled during PINN training) and a `parametric_dirichlet` `ConditionSpec.kind` that pins an output field to a sampled input axis (`output_field = u`). +- `register_pinn_surrogate_tool` on the control toolset — wraps a trained PINN solver as an MPC surrogate in `deps.registry`. + +### Changed +- **Dependencies refreshed** via `uv lock --upgrade`: pydantic-ai-slim 1.84 → 2.10, torch 2.11 → 2.13, mlflow 3.11 → 3.13, transformers 5.5 → 5.13, PINA 0.2.6 → 0.3.1, marimo 0.23.1 → 0.23.9, plus transitive bumps. +- **Migrated to the PINA 0.3 API**: `DomainInterface` moved to `pina.domain`, `FixedValue` to `pina.equation.zoo`, `AbstractProblem` → `BaseProblem`, the PINN-family solvers aliased to their renamed `*SingleModelSolver` forms, and `discretise_domain()` no longer accepts `domains="all"` (the default now samples all domains). `pytest` is warning-free again. +- **pydantic-ai upgraded to 2.x**: the bundled `a2a` extra was dropped, so `fasta2a` is now an explicit direct dependency (the `agent_to_a2a` API is unchanged); the `pydantic-ai-slim` floor is bumped to `>=2.10.0` and the `[ag-ui]` extra retained. +- **Agent graph migrated to the builder-based `pydantic-graph` API**: `build_graph()` now uses `GraphBuilder`, registering the nine v1 `BaseNode` nodes as-is via `g.node(...)`. New `agents.runner.run_graph` drives the run (`graph.run` / `graph.iter`) and logs `FlowState` snapshots to MLflow under `agent_state/`, replacing the deprecated `BaseNode`-`Graph` runner + its persistence machinery. +- MCP builders migrated to `MCPToolset` (from deprecated `MCPServerStreamableHTTP` / `MCPServerStdio`); transport assertions now probe `toolset.client.transport`. +- A2A / AG-UI servers migrated off the deprecated `Agent.to_a2a()` / `Agent.to_ag_ui()`: A2A uses `fasta2a.pydantic_ai.agent_to_a2a`, AG-UI is a bare Starlette app dispatching to `AGUIAdapter.dispatch_request` (the previously-xfailed AG-UI ASGI test now passes). +- `mlflow.pydantic_ai.autolog()` is on by default — mlflow ≥ 3.11.2 fixed the circular-reference crash (mlflow#22693), now falling back to a repr dump. Opt out with `MLFLOW_PYDANTIC_AI_AUTOLOG=0`. +- README reframed as an agentic scientific-computing platform; `pyproject.toml` description + keywords and the GitHub repo About/topics updated to match. +- README gained an architecture diagram (natural language → pydantic-ai → PINA / MLflow / marimo), a consolidated stack table (pydantic-ai, PINA + PyTorch, MLflow, DuckDB, Polars, Plotly, marimo, MCP, Docker CPU/CUDA/XPU), and a **Claude Code integration** section covering the marimo MCP server + the marimo-pair live-kernel workflow. +- Cleared pre-existing ruff findings surfaced by the ruff bump (typer `B008` via `extend-immutable-calls`, `SIM300`, `B017`); `ruff check` is clean again. + +### Removed +- `MLflowStatePersistence` (`pydantic-graph` persistence backend) — the builder runner exposes no persistence hook; FlowState snapshotting moved into `agents.runner`. + ## [0.3.1] - 2026-04-28 ### Added @@ -188,6 +210,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ## Version History Summary +- **0.4.0** (2026-07-15) - Parametric heat-rod control + MPC PINN surrogate, PINA 0.3 / pydantic-ai 2.x migration, README architecture + stack + Claude Code integration - **0.3.1** (2026-04-28) - Composition-first PDEs, Phases B-F (inverse, mesh, design, stochastic, MPC), Triage/Validation nodes, DuckDB provenance, plotly 3D viz, Windows persistence fix - **0.3.0** (2026-04-21) - Multi-agent PINA team (`pydantic-graph` + MLflow + Ollama Cloud), CITATION.cff - **0.2.0** (2026-03-26) - Multi-platform Docker, PINA integration, MCP servers, simplified deps @@ -196,7 +219,8 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 - **0.1.1** (2025-07-14) - Docker and CI/CD improvements - **0.1.0** (2025-07-08) - Initial release -[Unreleased]: https://github.com/synapticore-io/marimo-flow/compare/v0.3.1...HEAD +[Unreleased]: https://github.com/synapticore-io/marimo-flow/compare/v0.4.0...HEAD +[0.4.0]: https://github.com/synapticore-io/marimo-flow/compare/v0.3.1...v0.4.0 [0.3.1]: https://github.com/synapticore-io/marimo-flow/compare/v0.3.0...v0.3.1 [0.3.0]: https://github.com/synapticore-io/marimo-flow/compare/v0.2.0...v0.3.0 [0.2.0]: https://github.com/synapticore-io/marimo-flow/compare/v0.1.3...v0.2.0 diff --git a/CLAUDE.md b/CLAUDE.md index ced97d4..f14fa3f 100644 --- a/CLAUDE.md +++ b/CLAUDE.md @@ -77,7 +77,7 @@ Layout (SPEC-driven): - `toolsets/` — `problem`, `model`, `solver`, `training`, `validation`, `data`, `design`, `control`, `curator`, `skills`, `lead`. Each is a `FunctionToolset[FlowDeps]` singleton. -- `services/` — `ProvenanceStore` (DuckDB, 13 tables), orchestrator +- `services/` — `ProvenanceStore` (DuckDB, 16 tables), orchestrator policy helpers, experiment lifecycle, `composer`, `mesh_domain`, `design`, `preset_catalog`. - `nodes/` — one module per graph node. `triage` builds a `TaskSpec` from @@ -86,9 +86,15 @@ Layout (SPEC-driven): on every dispatch and short-circuits to `End` on escalate/reject verdicts. Infrastructure: -- Orchestration: `pydantic-graph` (Graph + BaseNode + GraphRunContext) -- Persistence + tracing: MLflow (`mlflow.pytorch.autolog()`; pydantic-ai - autolog is opt-in via `MLFLOW_PYDANTIC_AI_AUTOLOG=1` until mlflow >= 3.11.2) +- Orchestration: `pydantic-graph` builder API — `GraphBuilder` registers the + v1 `BaseNode` subclasses as-is via `g.node(...)` (`BaseNode`/`End`/ + `GraphRunContext` survive into pydantic-graph v2; only the legacy `Graph` + runner + its persistence machinery were deprecated). `build_graph()` returns + a builder `Graph`; `agents.runner.run_graph()` drives it (`graph.run` / + `graph.iter`) and logs FlowState snapshots to MLflow under `agent_state/`. +- Persistence + tracing: MLflow (`mlflow.pytorch.autolog()` + + `mlflow.pydantic_ai.autolog()` on by default since mlflow >= 3.11.2 fixed + the circular-ref crash; opt out with `MLFLOW_PYDANTIC_AI_AUTOLOG=0`) - Provenance: DuckDB at `./provenance.duckdb` (configurable via `MARIMO_FLOW_PROVENANCE_DB` or `config.yaml`'s `provenance.db_path`). DuckDB 1.5.2 ships transitively via `marimo[sql]` — no extra project dep. @@ -97,8 +103,9 @@ Infrastructure: model, solver, training, validation, mlflow, lead). - Each sub-agent loads its skill from `.claude/Skills//SKILL.md` via `build_skill_instructions()` — lazy, no message-history bloat. -- Lead agent (`build_lead_agent`) exposed three ways: `mo.ui.chat`, - `agent.to_a2a()`, `agent.to_ag_ui()`. `run_pina_workflow` wraps every +- Lead agent (`build_lead_agent`) exposed three ways: `mo.ui.chat`, an A2A + server (`fasta2a.pydantic_ai.agent_to_a2a`), and an AG-UI server (bare + Starlette + `AGUIAdapter.dispatch_request`). `run_pina_workflow` wraps every graph run in an `ExperimentRecord` (running → completed / failed). - `FlowState` holds MLflow URIs **and** the typed specs; live PINA/torch objects live in `FlowDeps.registry` keyed by URI. @@ -106,7 +113,7 @@ Infrastructure: `model_dump(mode="json")` so snapshots round-trip through JSON. Testing: -- `tests/agents/test_*.py` — 216 passing, 1 xfailed (baseline 2026-04-25). +- `tests/agents/test_*.py` — 225 passing, 0 xfailed (baseline 2026-06-10). - `test_demos_compose.py` smoke-tests the notebook spec paths so schema drift breaks the test suite, not the user-facing demos. - Nodes that use MCP toolsets (Notebook, MLflow): stub `build_*_mcp` with diff --git a/README.md b/README.md index df439e5..61ca12b 100644 --- a/README.md +++ b/README.md @@ -6,7 +6,7 @@ [![MLflow](https://img.shields.io/badge/MLflow-Latest-blue?logo=mlflow&logoColor=white)](https://mlflow.org) [![MCP](https://img.shields.io/badge/MCP-Enabled-green?logo=anthropic&logoColor=white)](https://docs.marimo.io/guides/editor_features/mcp/) [![Docker](https://img.shields.io/badge/Docker-Ready-blue?logo=docker&logoColor=white)](https://docker.com) -[![Version](https://img.shields.io/badge/Version-0.3.1-blue.svg)](CHANGELOG.md) +[![Version](https://img.shields.io/badge/Version-0.4.0-blue.svg)](CHANGELOG.md) [![License](https://img.shields.io/badge/License-MIT-green.svg)](LICENSE) [![Ask DeepWiki](https://deepwiki.com/badge.svg)](https://deepwiki.com/synapticore-io/marimo-flow) [![Contributing](https://img.shields.io/badge/Contributing-Welcome-brightgreen.svg)](CONTRIBUTING.md) @@ -28,11 +28,62 @@ https://github.com/user-attachments/assets/3bc24463-ff42-44a7-ae61-5d500d29688c ## What is marimo-flow? 🚀 -**Reactive marimo notebooks for physics-informed ML.** -A composition-first PINA stack with MLflow tracking, plus an optional -multi-agent team that drives PINA workflows end-to-end. Reactive -dataflow, MCP-powered AI assistance in your notebook, and a Docker -deployment story for CPU / NVIDIA / Intel GPUs. +**An agentic scientific-computing platform for physics-informed ML.** +A reactive multi-agent team orchestrates PINA / PINN workflows +end-to-end over a `pydantic-graph` state machine — backed by MLflow for +tracing and persistence, and exposed through marimo's chat UI plus +optional A2A and AG-UI ASGI servers. + +Describe a PDE in natural language; the team composes the Problem, +designs the network, wires the solver, trains it, and grades the run — +every handoff typed, logged to MLflow, and indexed in a DuckDB +provenance store. A classic `marimo_flow.core` API is still there for +when you'd rather drive PINA by hand. Composition-first throughout: no +hardcoded PDE factories, plus a Docker deployment story for CPU / +NVIDIA / Intel GPUs. + +## Architecture 🏗️ + +Natural language goes in; a `pydantic-ai` multi-agent team turns it into +a composed, trained, tracked PINN. PINA, MLflow, and marimo are the three +backends the team drives: + +``` + Natural language ("Solve a 1D Poisson equation on [0,1] with u(0)=u(1)=0") + │ + ▼ + ┌─────────────────────────────────────────────────────────┐ + │ pydantic-ai · multi-agent team │ + │ Triage → Route → Problem · Model · Solver · Training │ + │ → Validation → MLflow · Notebook │ + │ (pydantic-graph state machine · typed spec handoffs) │ + └─────────────────────────────────────────────────────────┘ + │ │ │ + ▼ ▼ ▼ + ┌──────┐ ┌────────┐ ┌────────┐ + │ PINA │ │ MLflow │ │ marimo │ + └──────┘ └────────┘ └────────┘ + compose + train runs · metrics reactive .py + PINNs (PyTorch) registry · tracing notebooks · chat + Plotly 2D/3D viz DuckDB provenance MCP-wired UI +``` + +A classic `marimo_flow.core` API drives PINA by hand when you'd rather +skip the agents — both paths write to the same MLflow backend. + +## Stack 🧱 + +| Layer | Tech | Role in marimo-flow | +|---|---|---| +| **Agent runtime** | `pydantic-ai` + `pydantic-graph` | multi-agent orchestration, typed handoffs, 9-node state machine (direct dep — not bundled via marimo) | +| **Physics ML** | PINA + **PyTorch** | compose & train physics-informed neural networks | +| **Experiment tracking** | **MLflow** | runs, metrics, model registry, pydantic-ai + PyTorch tracing | +| **Provenance** | **DuckDB** | 16-table lineage store (`provenance.duckdb`) | +| **Dataframes** | **Polars** | fast in-notebook data manipulation (over pandas) | +| **Visualisation** | **Plotly** | 2D/3D fields, meshes, isosurfaces — no pyvista/VTK stack | +| **Notebook UI** | **marimo** | reactive Git-friendly `.py` notebooks + `mo.ui.chat` | +| **Tooling protocol** | **MCP** | live docs (context7) + notebook/MLflow introspection | +| **Deployment** | **Docker** — CPU / CUDA / Intel XPU | GHCR images, per-accelerator compose files | ## 🧠 PINA — composition-first (no hardcoded PDE factories) @@ -59,19 +110,67 @@ solvers + training + viz3d), [`src/marimo_flow/control/`](src/marimo_flow/contro ## Features ✨ +- **🧑‍🚀 Multi-agent PINA team** — free-form intent → typed `TaskSpec` + → composed `ProblemSpec` / `ModelSpec` / `SolverPlan` → trained + surrogate → validation verdict, over a 9-node `pydantic-graph` state + machine (see [docs/agents.md](docs/agents.md)). +- **🔌 Three transports** — in-notebook `mo.ui.chat`, an A2A ASGI + server, and an AG-UI ASGI server, all wrapping the same lead agent. +- **🧩 Provider-agnostic LLMs** — per-role model specs resolved through + pydantic-ai's `infer_model`; defaults target Ollama Cloud, any + provider in the catalogue works via `config.yaml` / env vars. +- **🔬 MLflow tracing + DuckDB provenance** — every run, model, and + metric tracked under `data/mlflow/{db,artifacts}/`; typed specs, + decisions, handoffs, and lineage mirrored into a 16-table DuckDB + store. Lightning checkpoints land *inside* the active run. +- **🧠 Composition-first PINA** — agents compose PDEs from primitives; + no hardcoded `ProblemKind` (see below). - **📓 Reactive notebooks** — Git-friendly `.py` notebooks with automatic dependency tracking. -- **🔬 MLflow tracking** — every run, model, and metric tracked under - `data/mlflow/{db,artifacts}/`. Lightning checkpoints land *inside* - the active run. -- **🤖 MCP-powered AI** — `marimo`, `mlflow`, `context7`, `serena` MCP +- **🤖 MCP-powered AI** — `marimo`, `mlflow`, and `context7` MCP servers wired up; live library docs without leaving your notebook. - **🐳 Multi-platform Docker** — CPU, CUDA, Intel XPU images on GHCR. -- **🧑‍🚀 Optional multi-agent team** — composes PINA workflows from - free-form intent (see [docs/agents.md](docs/agents.md)). ## Quick Start 🏃‍♂️ +### Talk to the agent team + +The fastest path is the in-notebook chat. The lead agent dispatches to +the specialist team and streams its answer back: + +```python +from marimo_flow.agents import lead_chat, FlowDeps +import marimo as mo + +deps = FlowDeps() # resolves per-role models + MLflow URI from config / .env / env vars +chat = mo.ui.chat( + lead_chat(deps=deps), + prompts=["Solve a 1D Poisson equation on [0,1] with u(0)=u(1)=0 using a PINN."], +) +chat +``` + +Defaults target Ollama Cloud (`:cloud` tags via a local Ollama +endpoint). Copy [`config.yaml.example`](config.yaml.example) to +`config.yaml` to point any role at OpenAI, Anthropic, Groq, … — auth +comes from each provider's standard env var. + +Prefer a terminal? The CLI runs the same graph: + +```bash +uv run marimo-flow solve "Solve the Burgers equation with a small PINN" +uv run marimo-flow solve -m lead=anthropic:claude-sonnet-4-6 "..." # override a role +uv run marimo-flow config-show # print the resolved models + URIs +uv run marimo-flow lab # open examples/lab.py in marimo +``` + +Or expose the team as a standalone ASGI server: + +```bash +uv run python -m marimo_flow.agents.server.a2a # A2A protocol → :8000 +uv run python -m marimo_flow.agents.server.ag_ui # AG-UI protocol → :8001 +``` + ### With Docker (Recommended) ```bash @@ -126,8 +225,8 @@ marimo-flow/ │ ├── schemas/ # Typed Pydantic specs (ProblemSpec, …) │ ├── toolsets/ # FunctionToolset per role │ └── services/ # composer, mesh_domain, design, -│ # provenance (DuckDB, 13 tables) -├── tests/ # 226 passing, 1 xfailed +│ # provenance (DuckDB, 16 tables) +├── tests/ # 232 passing, 0 xfailed ├── docker/ # Dockerfiles + compose (CPU/CUDA/XPU) ├── docs/ # Project documentation (see docs/INDEX.md) └── data/mlflow/ # MLflow storage (db + artifacts) @@ -145,23 +244,25 @@ packages do not depend on each other — pick whichever matches the task. ## PINA Multi-Agent Team 🧑‍🚀 -Reactive multi-agent team that **drives PINA workflows end-to-end**: -free-form intent → typed `TaskSpec` → composed `ProblemSpec` → -trained surrogate → validation verdict, all logged to MLflow + a +The team **drives PINA workflows end-to-end** — it doesn't just answer +questions. Free-form intent → typed `TaskSpec` → composed `ProblemSpec` +→ trained surrogate → validation verdict, all logged to MLflow + a DuckDB provenance store. -```python -from marimo_flow.agents import lead_chat, FlowDeps -import marimo as mo - -deps = FlowDeps() -chat = mo.ui.chat(lead_chat(deps=deps)) -chat +``` +TriageNode → RouteNode ─┬─ ProblemNode + ├─ ModelNode + ├─ SolverNode + ├─ TrainingNode + ├─ ValidationNode → (accept/retry/escalate/reject) + ├─ MLflowNode + └─ NotebookNode ``` -Nine graph nodes (`pydantic-graph`), provider-agnostic LLM config, -and three transport options (in-notebook chat, A2A server, AG-UI -server). +Nine graph nodes (`pydantic-graph`), one toolset + skill per role, +provider-agnostic LLM config, and three transport options (in-notebook +chat, A2A server, AG-UI server). See the [Quick Start](#talk-to-the-agent-team) +for the chat / CLI / server entry points. → Full architecture, role list, provenance schema, and config docs in **[docs/agents.md](docs/agents.md)**. @@ -174,6 +275,30 @@ and `.vscode/mcp.json` (VS Code / Claude Code). → Full configuration reference in **[docs/mcp-setup.md](docs/mcp-setup.md)**. +## Claude Code Integration 🤖 + +marimo-flow is built to be driven from [Claude Code](https://claude.com/claude-code). +Two integration points work together: + +- **marimo MCP server** — start marimo with `--mcp` and Claude Code can + introspect the running notebook: list cells, read variables/DataFrames, + surface cell errors, and inspect DuckDB/SQL connections. + + ```bash + marimo edit examples/ --mcp --no-token --headless --port 2718 + ``` + +- **marimo-pair** — the `marimo-claude` plugin's pair-programming skill. + It attaches to that same live kernel so Claude Code can *execute code, + create cells, and build the notebook as an artifact* interactively — + not just read it. Ask Claude to "start a marimo notebook" or "work in + the active marimo session" and it drives the kernel directly. + +Together they turn a marimo notebook into a shared workspace: Claude +reads runtime state over MCP and writes cells back through marimo-pair, +with MLflow + the DuckDB provenance store recording everything the agent +team produces alongside. + ## Documentation 📚 | File | What's in it | @@ -196,7 +321,7 @@ development setup, code standards, and the PR process. ```bash # Quick path git checkout -b my-feature -uv run pytest # 226 passing +uv run pytest # 232 passing uv run ruff format . && uv run ruff check --fix . # open a PR ``` diff --git a/docs/agents.md b/docs/agents.md index 185f203..8171f9c 100644 --- a/docs/agents.md +++ b/docs/agents.md @@ -84,7 +84,7 @@ print(store.query( ``` See [`examples/02_provenance_dashboard.py`](../examples/02_provenance_dashboard.py) -for a marimo review surface over the full DuckDB schema (13 tables). +for a marimo review surface over the full DuckDB schema (16 tables). ## Models — provider-agnostic diff --git a/docs/roadmap.md b/docs/roadmap.md index d56ecac..c541b60 100644 --- a/docs/roadmap.md +++ b/docs/roadmap.md @@ -1,6 +1,6 @@ # Roadmap: beyond the current PINA presets -Last updated: 2026-04-25. +Last updated: 2026-06-10. **Status**: **Phases A-0 through F shipped.** Composition-first architecture (`services/composer.py::compose_problem`) reaches @@ -9,7 +9,7 @@ suitable `ProblemSpec`. Inverse problems, mesh geometry, 3D plotly viz, design optimisation, stochastic + non-local PDEs, and rolling- horizon MPC are all in the repo with tests. -**Test baseline (2026-04-25):** 216 passed, 1 xfailed. +**Test baseline (2026-06-10):** 225 passed, 0 xfailed. ## Architecture pivot (2026-04-24) @@ -226,7 +226,7 @@ Tests: `tests/agents/test_control.py` (single-step + rollout), ## How to reproduce / verify ```bash -# Full test suite — must stay at 216 passed, 1 xfailed +# Full test suite — must stay at 225 passed, 0 xfailed uv run pytest -q # Smoke-run the new demos outside marimo diff --git a/examples/02_provenance_dashboard.py b/examples/02_provenance_dashboard.py index 8e03a82..526cefc 100644 --- a/examples/02_provenance_dashboard.py +++ b/examples/02_provenance_dashboard.py @@ -178,8 +178,7 @@ def _problem_3d_view(mo, store, picker): view_md = mo.md("_No stored problem compositions to visualise yet._") else: payload_rows = store.query( - "SELECT payload FROM preset_problems " - "WHERE name = ? AND status = 'active'", + "SELECT spec_json FROM preset_problems WHERE name = ? AND status = 'active'", [picker.value], ) if not payload_rows: @@ -189,7 +188,7 @@ def _problem_3d_view(mo, store, picker): from marimo_flow.agents.services.composer import compose_problem from marimo_flow.core.viz3d import domain_figure - spec_dict = payload_rows[0]["payload"] + spec_dict = payload_rows[0]["spec_json"] if isinstance(spec_dict, str): import json diff --git a/examples/04_mpc_heat_rod.py b/examples/04_mpc_heat_rod.py index 93fd0f3..ec35a4f 100644 --- a/examples/04_mpc_heat_rod.py +++ b/examples/04_mpc_heat_rod.py @@ -1,19 +1,16 @@ -"""Closed-loop MPC on a 1D heat-rod PINN surrogate. +"""Closed-loop MPC on a 1D heat rod with a PINN surrogate. Run with: marimo edit examples/04_mpc_heat_rod.py -Trains a small surrogate for 1D heat equation, then drives an MPC loop -that steers the centre temperature toward a target setpoint by -modulating a heat-flux boundary condition. Demonstrates the Phase F -composition: ProblemSpec → compose → train → register surrogate → MPC. +Trains a parametric PINN (``T(x,t,u)`` with ``T(1,t,u)=u``) via the +composer, wraps it as a reduced-order MPC surrogate, and closes the loop +against an explicit finite-difference plant. """ -from __future__ import annotations - import marimo -__generated_with = "0.23.1" +__generated_with = "0.23.9" app = marimo.App(width="medium") @@ -22,9 +19,12 @@ def _header(): import marimo as mo mo.md( - "# MPC demo — heat rod with a PINN surrogate\n" - "Composition-first: no hardcoded heat-equation factory. The MPC " - "layer treats the trained network as a one-step dynamics model." + "# MPC demo — heat rod with PINN surrogate\n" + "\n" + "1. **ProblemSpec** — 1D heat equation, ``T(1)=u`` (parametric BC)\n" + "2. **PINN** — `compose_problem` → `train_solver`\n" + "3. **Surrogate** — PINN field mean → MPC rollout\n" + "4. **Plant** — finite-difference ground truth in the closed loop" ) return (mo,) @@ -32,114 +32,75 @@ def _header(): @app.cell def _controls(mo): setpoint = mo.ui.slider( - start=0.0, stop=1.0, step=0.05, value=0.6, label="centre setpoint" + start=0.0, stop=1.0, step=0.05, value=0.6, label="mean-T setpoint" ) horizon = mo.ui.slider(start=3, stop=20, step=1, value=8, label="MPC horizon") n_steps = mo.ui.slider( - start=5, stop=30, step=1, value=15, label="closed-loop steps" + start=10, stop=60, step=5, value=30, label="closed-loop steps" + ) + max_epochs = mo.ui.slider( + start=20, stop=200, step=10, value=80, label="PINN epochs" + ) + n_points = mo.ui.slider( + start=1000, stop=8000, step=1000, value=3000, label="collocation points" ) mo.hstack([setpoint, horizon, n_steps]) - return (setpoint, horizon, n_steps) + mo.hstack([max_epochs, n_points]) + return horizon, max_epochs, mo, n_points, n_steps, setpoint @app.cell -def _build_surrogate_spec(mo): - from marimo_flow.agents.schemas import ( - ConditionSpec, - DerivativeSpec, - EquationSpec, - ProblemSpec, - SubdomainSpec, - ) +def _compose(): + from marimo_flow.agents.services.composer import compose_problem + from marimo_flow.control.heat_rod import build_heat_rod_problem_spec - spec = ProblemSpec( - name="heat_rod_1d", - output_variables=["T"], - domain_bounds={"x": [0.0, 1.0], "t": [0.0, 1.0]}, - subdomains=[ - SubdomainSpec(name="D", bounds={"x": [0.0, 1.0], "t": [0.0, 1.0]}), - SubdomainSpec(name="left", bounds={"x": 0.0, "t": [0.0, 1.0]}), - SubdomainSpec(name="right", bounds={"x": 1.0, "t": [0.0, 1.0]}), - SubdomainSpec(name="t0", bounds={"x": [0.0, 1.0], "t": 0.0}), - ], - equations=[ - EquationSpec( - name="heat", - form="T_t - alpha*T_xx", - outputs=["T"], - derivatives=[ - DerivativeSpec(name="T_t", field="T", wrt=["t"]), - DerivativeSpec(name="T_xx", field="T", wrt=["x", "x"]), - ], - parameters={"alpha": 0.05}, - ), - ], - conditions=[ - ConditionSpec(subdomain="D", kind="equation", equation_name="heat"), - ConditionSpec(subdomain="left", kind="fixed_value", value=0.0), - ConditionSpec(subdomain="right", kind="fixed_value", value=0.0), - ConditionSpec(subdomain="t0", kind="fixed_value", value=0.0), - ], - ) - mo.md("Surrogate spec: 1D heat equation on x ∈ [0, 1], t ∈ [0, 1].") - return (spec,) + spec = build_heat_rod_problem_spec(alpha=0.08) + problem = compose_problem(spec)() + return problem, spec @app.cell -def _train_surrogate(mo, spec): - from marimo_flow.agents.services.composer import compose_problem +def _train_pinn(mo, max_epochs, n_points, problem): from marimo_flow.core import ModelManager, SolverManager, train_solver - problem = compose_problem(spec)() model = ModelManager.create("feedforward", problem=problem, layers=[32, 32]) solver = SolverManager.create( "pinn", problem=problem, model=model, learning_rate=1e-3 ) trainer = train_solver( solver, - max_epochs=10, + max_epochs=int(max_epochs.value), accelerator="cpu", - n_points=2048, + n_points=int(n_points.value), sample_mode="random", ) mo.md( - "Training: 10 epochs over 2048 collocation points. Final loss terms: " - f"{dict(trainer.callback_metrics)}" + f"PINN trained for **{max_epochs.value}** epochs " + f"({n_points.value} collocation points). " + f"Final metrics: `{dict(trainer.callback_metrics)}`" ) - return (solver, trainer) + return solver, trainer @app.cell -def _wire_surrogate_callable(solver): - import numpy as np - import torch - from pina.label_tensor import LabelTensor - - def surrogate(state, controls): - """(state, controls) → predicted centre-temperature trajectory. - - Crude mapping: treats each control as a heat-flux scale on the - right boundary and queries the PINN at x=0.5, t=dt·k. For the - demo this is enough — the network was trained without boundary - control, so 'controls' effectively multiply the surrogate value. - """ - centre = 0.5 - traj = np.zeros((len(controls), 1)) - for k, u in enumerate(controls[:, 0]): - t = (k + 1) * 0.05 - pt = LabelTensor( - torch.tensor([[centre, t]], dtype=torch.float32), - ["x", "t"], - ) - base = float(solver.forward(pt).detach().cpu().numpy().squeeze()) - traj[k, 0] = float(state[0] + u * base) - return traj - - return (surrogate, np) +def _wire_dynamics(solver): + from marimo_flow.control.heat_rod import FiniteDifferenceHeatRod, make_plant_stepper + from marimo_flow.control.pinn_surrogate import make_pinn_rollout_surrogate + + plant = FiniteDifferenceHeatRod(nx=21, alpha=0.08, dt=0.01) + plant.set_uniform(0.0) + dt = 0.01 + surrogate = make_pinn_rollout_surrogate( + solver, dt=dt, output_field="T", nx=21, blend=0.6 + ) + true_dynamics = make_plant_stepper(plant) + return dt, plant, surrogate, true_dynamics @app.cell -def _run_mpc(mo, surrogate, np, setpoint, horizon, n_steps): +def _run_mpc(dt, horizon, mo, n_steps, setpoint, surrogate, true_dynamics): + import numpy as np + from marimo_flow.agents.schemas import ( ControlPlan, ControlVariableSpec, @@ -149,52 +110,54 @@ def _run_mpc(mo, surrogate, np, setpoint, horizon, n_steps): plan = ControlPlan( name="heat_rod_mpc", - surrogate_uri="mem://heat_surrogate", + surrogate_uri="local://heat_rod_pinn_surrogate", horizon=int(horizon.value), - dt=0.05, - controls=[ControlVariableSpec(name="u", low=-1.0, high=1.0)], - states=[StateSpec(name="T_centre", target=float(setpoint.value), weight=1.0)], + dt=dt, + controls=[ControlVariableSpec(name="u", low=0.0, high=1.0, initial=0.5)], + states=[StateSpec(name="T_mean", target=float(setpoint.value), weight=1.0)], ) traj = simulate_closed_loop( plan, initial_state=np.array([0.0]), surrogate=surrogate, - true_dynamics=surrogate, # surrogate == plant for this demo + true_dynamics=true_dynamics, n_steps=int(n_steps.value), ) import plotly.graph_objects as go + states = traj["states"][:, 0] fig = go.Figure() + fig.add_trace(go.Scatter(y=states, mode="lines+markers", name="T_mean (plant)")) fig.add_trace( go.Scatter( - y=traj["states"][:, 0], - mode="lines+markers", - name="T_centre", - ) - ) - fig.add_trace( - go.Scatter( - y=[setpoint.value] * len(traj["states"]), + y=[setpoint.value] * len(states), mode="lines", line={"dash": "dash"}, name="setpoint", ) ) - fig.update_layout(title="Closed-loop state trajectory") - mo.ui.plotly(fig) + fig.update_layout(title="Closed-loop spatial mean (FD plant)", yaxis_title="T_mean") ctrl_fig = go.Figure() ctrl_fig.add_trace( go.Scatter( y=traj["controls"][:, 0], mode="lines+markers", - name="u", + name="u (right BC)", ) ) - ctrl_fig.update_layout(title="Applied control sequence") - mo.ui.plotly(ctrl_fig) - return (traj,) + ctrl_fig.update_layout(title="Applied boundary temperature", yaxis_title="u") + + final_err = abs(states[-1] - setpoint.value) + mo.vstack( + [ + mo.md(f"Final tracking error |T_mean − setpoint| = **{final_err:.4f}**."), + mo.ui.plotly(fig), + mo.ui.plotly(ctrl_fig), + ] + ) + return if __name__ == "__main__": diff --git a/examples/lab.py b/examples/lab.py index 070e801..dd81d48 100644 --- a/examples/lab.py +++ b/examples/lab.py @@ -67,9 +67,7 @@ def _(chat_fn, mo): @app.cell def _(graph, mo): - from marimo_flow.agents.nodes.route import RouteNode - - mo.mermaid(graph.mermaid_code(start_node=RouteNode)) + mo.mermaid(graph.render()) return diff --git a/pyproject.toml b/pyproject.toml index 0d9d0a3..58189fb 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -4,8 +4,8 @@ build-backend = "setuptools.build_meta" [project] name = "marimo-flow" -version = "0.3.1" -description = "Reactive marimo notebooks for ML with MLflow tracking, PINA physics-informed neural networks, and a multi-agent team on pydantic-graph + Ollama Cloud." +version = "0.4.0" +description = "Agentic scientific-computing platform: a reactive multi-agent team orchestrating PINA physics-informed neural-network workflows via pydantic-graph, with MLflow tracing/provenance and a marimo chat UI." readme = "README.md" requires-python = ">=3.11" license = "MIT" @@ -14,6 +14,9 @@ authors = [ {name = "Björn Bethge", email = "helloworld@synapticore.io"}, ] keywords = [ + "agentic-ai", + "multi-agent", + "scientific-computing", "marimo", "mlflow", "pina", @@ -61,12 +64,15 @@ dependencies = [ "flask>=3.1.3", "optuna-integration[pytorch-lightning]>=4.8.0", "plotly[express,kaleido]>=6.7.0", - "pydantic-ai-slim[a2a,ag-ui]>=1.84.1", + # pydantic-ai 2.x dropped the bundled `a2a` extra; A2A now comes via the + # standalone `fasta2a` dep below (still the same agent_to_a2a API). + "pydantic-ai-slim[ag-ui]>=2.10.0", "pyyaml>=6.0.3", "python-dotenv>=1.2.2", "typer>=0.24.1", "sympy>=1.14.0", "meshio>=5.3.5", + "fasta2a>=0.6.1", ] [project.optional-dependencies] @@ -123,6 +129,11 @@ extend-exclude = [".claude/Skills/*/examples"] select = ["E", "F", "I", "UP", "B", "SIM"] ignore = ["E501"] +[tool.ruff.lint.flake8-bugbear] +# typer's API is built on function-call defaults (Option/Argument); this is +# the intended pattern, not the B008 mutable-default footgun. +extend-immutable-calls = ["typer.Option", "typer.Argument"] + [tool.ruff.lint.per-file-ignores] # marimo cells render the last bare expression as cell output "examples/*" = ["B018"] diff --git a/src/marimo_flow/agents/__init__.py b/src/marimo_flow/agents/__init__.py index 652fbfa..97ae3f3 100644 --- a/src/marimo_flow/agents/__init__.py +++ b/src/marimo_flow/agents/__init__.py @@ -4,17 +4,17 @@ from marimo_flow.agents.deps import DEFAULT_MODELS, FlowDeps, get_model from marimo_flow.agents.graph import build_graph, start_node from marimo_flow.agents.lead import build_lead_agent -from marimo_flow.agents.persistence import MLflowStatePersistence +from marimo_flow.agents.runner import run_graph from marimo_flow.agents.state import FlowState __all__ = [ "DEFAULT_MODELS", "FlowDeps", "FlowState", - "MLflowStatePersistence", "build_graph", "build_lead_agent", "get_model", "lead_chat", + "run_graph", "start_node", ] diff --git a/src/marimo_flow/agents/graph.py b/src/marimo_flow/agents/graph.py index bdb708a..4d0ea32 100644 --- a/src/marimo_flow/agents/graph.py +++ b/src/marimo_flow/agents/graph.py @@ -1,8 +1,15 @@ -"""Graph assembly — TriageNode is the start, RouteNode dispatches the rest.""" +"""Graph assembly — TriageNode is the start, RouteNode dispatches the rest. + +Built on the builder-based `GraphBuilder` API. The v1 `BaseNode` subclasses +in `nodes/` are registered as-is via `g.node(...)` — `BaseNode`/`End`/ +`GraphRunContext` survive into pydantic-graph v2, only the legacy `Graph` +runner + its persistence machinery were deprecated. +""" from __future__ import annotations -from pydantic_graph import Graph +from pydantic_graph import GraphBuilder +from pydantic_graph.graph_builder import Graph from marimo_flow.agents.deps import FlowDeps from marimo_flow.agents.nodes import mlflow_node as _mlflow_node_mod @@ -26,13 +33,12 @@ from marimo_flow.agents.state import FlowState -def build_graph() -> Graph[FlowState, FlowDeps, str]: - # Inject RouteNode into each specialist module's globals so that - # `pydantic_graph.BaseNode.get_node_def` -> `get_type_hints(cls.run)` - # can resolve the `-> RouteNode` forward refs. Likewise inject the - # specialists into RouteNode's module so its return-type union - # resolves. We patch the module namespace at runtime to keep the - # source-level `if TYPE_CHECKING:` imports cycle-free. +def build_graph() -> Graph[FlowState, FlowDeps, TriageNode, str]: + # Inject the `if TYPE_CHECKING` forward refs into each node module's + # globals so `GraphBuilder.node()` -> `get_type_hints(cls.run)` resolves + # the `-> RouteNode` / specialist-union return hints at runtime. The + # source-level imports stay behind `TYPE_CHECKING` to keep the module + # graph cycle-free. for mod in ( _triage_mod, _notebook_mod, @@ -53,20 +59,28 @@ def build_graph() -> Graph[FlowState, FlowDeps, str]: ValidationNode=ValidationNode, MLflowNode=MLflowNode, ) - return Graph( - nodes=( - TriageNode, - RouteNode, - NotebookNode, - ProblemNode, - ModelNode, - SolverNode, - TrainingNode, - ValidationNode, - MLflowNode, - ), + + g = GraphBuilder[FlowState, FlowDeps, TriageNode, str]( + name="pina-team", state_type=FlowState, + deps_type=FlowDeps, + input_type=TriageNode, + output_type=str, + auto_instrument=False, + ) + g.add( + g.edge_from(g.start_node).to(TriageNode), + g.node(TriageNode), + g.node(RouteNode), + g.node(NotebookNode), + g.node(ProblemNode), + g.node(ModelNode), + g.node(SolverNode), + g.node(TrainingNode), + g.node(ValidationNode), + g.node(MLflowNode), ) + return g.build() def start_node() -> TriageNode: diff --git a/src/marimo_flow/agents/lead.py b/src/marimo_flow/agents/lead.py index 959a634..bc852b7 100644 --- a/src/marimo_flow/agents/lead.py +++ b/src/marimo_flow/agents/lead.py @@ -16,6 +16,7 @@ from __future__ import annotations import os +import warnings from pathlib import Path import mlflow @@ -62,7 +63,7 @@ def _ensure_local_layout(uri: str) -> None: ``./mlruns/`` fallback. """ global _LAYOUT_PREPARED - if _LAYOUT_PREPARED == uri or not _looks_like_local_default(uri): + if uri == _LAYOUT_PREPARED or not _looks_like_local_default(uri): return layout = Path(DEFAULT_MLFLOW_LAYOUT_ROOT).resolve() @@ -114,18 +115,33 @@ def _ensure_tracking_uri(uri: str | None = None) -> None: def _ensure_autolog() -> None: """Enable MLflow autologging for the team. - `mlflow.pydantic_ai.autolog()` is disabled by default because mlflow - 3.11.1 (latest PyPI release) raises `ValueError: Circular reference - detected` in `dump_span_attribute_value` when used with pydantic-ai - >= 1.80 — fix merged upstream in mlflow#22693 (2026-04-21) but not - yet released. Opt back in via `MLFLOW_PYDANTIC_AI_AUTOLOG=1` once - mlflow >= 3.11.2 is installed. + `mlflow.pydantic_ai.autolog()` traces every nested sub-agent call under + the active run. It is on by default: mlflow >= 3.11.2 fixed the + `ValueError: Circular reference detected` crash in + `dump_span_attribute_value` (mlflow#22693) that earlier releases hit with + pydantic-ai >= 1.80 — self-referencing span attributes now fall back to a + repr dump instead of raising. Opt out with `MLFLOW_PYDANTIC_AI_AUTOLOG=0`. + + ``silent=True`` mutes mlflow 3.13's pydantic-ai integration noise against + pydantic-ai 1.106 — a one-time `Error importing pydantic_ai._tool_manager` + (ToolManager moved upstream; only the ToolManager span-type label is lost, + tracing is otherwise intact) plus `Agent(instrument=...)` / `usage()` + deprecation warnings emitted from mlflow's own autolog code. Drop it once + mlflow's integration catches up to pydantic-ai 1.10x. """ global _AUTOLOG_ENABLED if _AUTOLOG_ENABLED: return - if os.environ.get("MLFLOW_PYDANTIC_AI_AUTOLOG") == "1": - mlflow.pydantic_ai.autolog() + if os.environ.get("MLFLOW_PYDANTIC_AI_AUTOLOG") != "0": + # mlflow's patched Agent.__init__ passes the deprecated `instrument=` + # kwarg to pydantic-ai 1.106; `silent=True` mutes mlflow's wrapped logs + # but this raw warning still escapes. We never pass `instrument=` + # ourselves, so the message-scoped filter only hits mlflow's trigger. + warnings.filterwarnings( + "ignore", + message=r".*`Agent\(instrument=\.\.\.\)` is deprecated.*", + ) + mlflow.pydantic_ai.autolog(silent=True) mlflow.pytorch.autolog() _AUTOLOG_ENABLED = True diff --git a/src/marimo_flow/agents/mcp.py b/src/marimo_flow/agents/mcp.py index 0c5a32a..4fbd84f 100644 --- a/src/marimo_flow/agents/mcp.py +++ b/src/marimo_flow/agents/mcp.py @@ -11,11 +11,12 @@ from __future__ import annotations -from pydantic_ai.mcp import ( - MCPServerSSE, - MCPServerStdio, - MCPServerStreamableHTTP, +from fastmcp.client.transports import ( + SSETransport, + StdioTransport, + StreamableHttpTransport, ) +from pydantic_ai.mcp import MCPToolset DEFAULT_MARIMO_MCP_URL = "http://127.0.0.1:2718/mcp/server" @@ -24,33 +25,33 @@ def build_marimo_mcp( url: str = DEFAULT_MARIMO_MCP_URL, *, startup_timeout: float = 30.0, -) -> MCPServerStreamableHTTP: - """Build the marimo MCP streamable-HTTP client. +) -> MCPToolset: + """Build the marimo MCP streamable-HTTP toolset. - ``startup_timeout`` widens the handshake window from pydantic-ai's default - of 5s — marimo's ``--mcp`` endpoint can take a few seconds to register - tools when a notebook has many cells. + ``startup_timeout`` widens the handshake window from FastMCP's default — + marimo's ``--mcp`` endpoint can take a few seconds to register tools when + a notebook has many cells. """ - return MCPServerStreamableHTTP(url=url, timeout=startup_timeout) + return MCPToolset(StreamableHttpTransport(url=url), init_timeout=startup_timeout) def build_mlflow_mcp( tracking_uri: str = "sqlite:///data/mlflow/db/mlflow.db", *, startup_timeout: float = 60.0, -) -> MCPServerStdio: - """Build the MLflow MCP stdio server. +) -> MCPToolset: + """Build the MLflow MCP stdio toolset. ``startup_timeout`` is the handshake window for ``mlflow mcp run``. MLflow initialises the store on startup (SQLite migrations, plugin loading) which - can exceed the pydantic-ai default of 5s on a cold run. + can exceed FastMCP's default on a cold run. """ - return MCPServerStdio( + transport = StdioTransport( command="mlflow", args=["mcp", "run"], env={"MLFLOW_TRACKING_URI": tracking_uri}, - timeout=startup_timeout, ) + return MCPToolset(transport, init_timeout=startup_timeout) def build_mcp_servers( @@ -59,14 +60,14 @@ def build_mcp_servers( cmd: str = "deno", args: str = "", url: str = "", -) -> list: +) -> list[MCPToolset]: if transport == "disabled": return [] if transport == "stdio": arg_list = [a for a in args.split(" ") if a] - return [MCPServerStdio(command=cmd, args=arg_list)] + return [MCPToolset(StdioTransport(command=cmd, args=arg_list))] if transport == "sse": - return [MCPServerSSE(url=url)] + return [MCPToolset(SSETransport(url=url))] if transport == "streamable-http": - return [MCPServerStreamableHTTP(url=url)] + return [MCPToolset(StreamableHttpTransport(url=url))] raise ValueError(f"unknown transport: {transport!r}") diff --git a/src/marimo_flow/agents/persistence.py b/src/marimo_flow/agents/persistence.py deleted file mode 100644 index 571a690..0000000 --- a/src/marimo_flow/agents/persistence.py +++ /dev/null @@ -1,77 +0,0 @@ -"""MLflowStatePersistence — pydantic-graph snapshot backend backed by MLflow. - -Snapshots are written as JSON artifacts under the active MLflow run. -Live composition is handled by the in-memory parent backend; we override -loading/saving so that resuming a chat = resuming an MLflow run. -""" - -from __future__ import annotations - -import json -import re -import tempfile -from collections.abc import AsyncIterator -from contextlib import asynccontextmanager -from dataclasses import asdict, is_dataclass -from pathlib import Path - -import mlflow -from pydantic_graph import BaseNode, End -from pydantic_graph.persistence.in_mem import FullStatePersistence - -# Characters not allowed in Windows filenames (NTFS reserves <>:"/\|?*). -# pydantic-graph snapshot IDs are "{node_id}:{uuid4().hex}", so the colon -# would crash any local-filesystem MLflow artifact root on Windows. -_WIN_INVALID = re.compile(r'[<>:"/\\|?*\x00-\x1f]') - - -def _safe_filename(label: str) -> str: - """Replace filesystem-reserved chars so the same file path works on - both Windows and POSIX.""" - return _WIN_INVALID.sub("_", label) - - -class MLflowStatePersistence(FullStatePersistence): - """JSON snapshots logged as MLflow artifacts under `agent_state/`.""" - - ARTIFACT_DIR = "agent_state" - - def __init__( - self, *, run_id: str, client: mlflow.MlflowClient | None = None - ) -> None: - super().__init__() - self.run_id = run_id - self.client = client or mlflow.MlflowClient() - - def _to_jsonable(self, state) -> dict: - to_jsonable = getattr(state, "to_jsonable", None) - if callable(to_jsonable): - return to_jsonable() - return asdict(state) if is_dataclass(state) else dict(state) - - def _log_state(self, label: str, state) -> None: - with tempfile.TemporaryDirectory() as td: - path = Path(td) / f"{_safe_filename(label)}.json" - path.write_text(json.dumps(self._to_jsonable(state), default=str, indent=2)) - self.client.log_artifact( - self.run_id, str(path), artifact_path=self.ARTIFACT_DIR - ) - - async def snapshot_node(self, state, next_node: BaseNode) -> None: - await super().snapshot_node(state, next_node) - self._log_state(f"node-{next_node.__class__.__name__}", state) - - async def snapshot_node_if_new( - self, snapshot_id: str, state, next_node: BaseNode - ) -> None: - await super().snapshot_node_if_new(snapshot_id, state, next_node) - self._log_state(f"node-{snapshot_id}", state) - - async def snapshot_end(self, state, end: End) -> None: - await super().snapshot_end(state, end) - self._log_state("end", state) - - @asynccontextmanager - async def record_run(self, snapshot_id: str) -> AsyncIterator[None]: - async with super().record_run(snapshot_id): - yield diff --git a/src/marimo_flow/agents/runner.py b/src/marimo_flow/agents/runner.py new file mode 100644 index 0000000..92ee71e --- /dev/null +++ b/src/marimo_flow/agents/runner.py @@ -0,0 +1,65 @@ +"""Drive the PINA team graph and snapshot FlowState to MLflow. + +The builder-based pydantic-graph runner has no persistence hook (the legacy +`BaseStatePersistence` machinery was deprecated alongside the `Graph` runner), +so state snapshots — resuming a chat == resuming an MLflow run — are logged +explicitly here: one JSON artifact under ``agent_state/`` per node transition. +""" + +from __future__ import annotations + +import json +import re +import tempfile +from pathlib import Path + +import mlflow + +from marimo_flow.agents.deps import FlowDeps +from marimo_flow.agents.graph import build_graph, start_node +from marimo_flow.agents.state import FlowState + +ARTIFACT_DIR = "agent_state" + +# Characters not allowed in Windows filenames (NTFS reserves <>:"/\|?*). +# Builder node IDs are plain names (no colon), but snapshot labels are kept +# defensively sanitized so the same artifact path works on Windows and POSIX. +_WIN_INVALID = re.compile(r'[<>:"/\\|?*\x00-\x1f]') + + +def _safe_filename(label: str) -> str: + """Replace filesystem-reserved chars so the path works cross-platform.""" + return _WIN_INVALID.sub("_", label) + + +def _log_state( + client: mlflow.MlflowClient, run_id: str, label: str, state: FlowState +) -> None: + with tempfile.TemporaryDirectory() as td: + path = Path(td) / f"{_safe_filename(label)}.json" + path.write_text(json.dumps(state.to_jsonable(), default=str, indent=2)) + client.log_artifact(run_id, str(path), artifact_path=ARTIFACT_DIR) + + +async def run_graph( + state: FlowState, + deps: FlowDeps, + *, + snapshot_run_id: str | None = None, +) -> str: + """Run the team graph to completion and return the final summary string. + + When ``snapshot_run_id`` is given, a FlowState JSON artifact is logged + under ``agent_state/`` after each node transition and once at the end. + """ + graph = build_graph() + if snapshot_run_id is None: + return str(await graph.run(inputs=start_node(), state=state, deps=deps)) + + client = mlflow.MlflowClient() + async with graph.iter(inputs=start_node(), state=state, deps=deps) as run: + async for _ in run: + _log_state(client, snapshot_run_id, f"node-{state.last_node}", state) + output = run.output + _log_state(client, snapshot_run_id, "end", state) + return str(output) diff --git a/src/marimo_flow/agents/schemas/__init__.py b/src/marimo_flow/agents/schemas/__init__.py index b768639..3a390ab 100644 --- a/src/marimo_flow/agents/schemas/__init__.py +++ b/src/marimo_flow/agents/schemas/__init__.py @@ -11,6 +11,7 @@ DatasetBinding, ) from marimo_flow.agents.schemas.control import ( + ControlParameterSpec, ControlPlan, ControlVariableSpec, MPCSolver, @@ -70,6 +71,7 @@ "ConditionSpec", "ConstraintOp", "ConstraintSpec", + "ControlParameterSpec", "ControlPlan", "ControlVariableSpec", "DatasetBinding", diff --git a/src/marimo_flow/agents/schemas/control.py b/src/marimo_flow/agents/schemas/control.py index 18a0d8f..39d4515 100644 --- a/src/marimo_flow/agents/schemas/control.py +++ b/src/marimo_flow/agents/schemas/control.py @@ -24,6 +24,21 @@ MPCSolver = Literal["scipy_slsqp", "cvxpy"] +class ControlParameterSpec(BaseModel): + """Exogenous parameter wired into a PINA problem (e.g. boundary temperature). + + Declared on ``ProblemSpec.control_parameters`` and merged into + ``domain_bounds`` by the composer so collocation samples ``u`` and the + network sees it as an input coordinate. + """ + + model_config = ConfigDict(extra="forbid") + + name: str + low: float + high: float + + class ControlVariableSpec(BaseModel): """One actuator / control input the MPC may set at each step.""" diff --git a/src/marimo_flow/agents/schemas/equation.py b/src/marimo_flow/agents/schemas/equation.py index 86a9d1b..136954b 100644 --- a/src/marimo_flow/agents/schemas/equation.py +++ b/src/marimo_flow/agents/schemas/equation.py @@ -115,7 +115,7 @@ class SubdomainSpec(BaseModel): ) -ConditionKind = Literal["fixed_value", "equation"] +ConditionKind = Literal["fixed_value", "equation", "parametric_dirichlet"] class ConditionSpec(BaseModel): @@ -125,6 +125,8 @@ class ConditionSpec(BaseModel): ``kind="equation"`` + ``equation_name="..."`` → points at an EquationSpec defined at the ProblemSpec level (either the main PDE residual applied on an interior subdomain, or a BC/IC expression). + ``kind="parametric_dirichlet"`` + ``parameter_name="u"`` → enforces + ``output_field = u`` on the subdomain (``u`` sampled as an input). ``equation_inline`` is an escape hatch for one-off conditions (e.g. a custom IC) that shouldn't clutter the top-level equations list. """ @@ -136,3 +138,11 @@ class ConditionSpec(BaseModel): value: float | None = None equation_name: str | None = None equation_inline: EquationSpec | None = None + parameter_name: str | None = Field( + default=None, + description="control-parameter axis for parametric_dirichlet", + ) + output_field: str | None = Field( + default=None, + description="field pinned to parameter_name; defaults to first output", + ) diff --git a/src/marimo_flow/agents/schemas/problem.py b/src/marimo_flow/agents/schemas/problem.py index 28dadf5..dcb3255 100644 --- a/src/marimo_flow/agents/schemas/problem.py +++ b/src/marimo_flow/agents/schemas/problem.py @@ -11,6 +11,7 @@ from pydantic import BaseModel, ConfigDict, Field +from marimo_flow.agents.schemas.control import ControlParameterSpec from marimo_flow.agents.schemas.equation import ( ConditionSpec, EquationSpec, @@ -45,6 +46,9 @@ class ProblemSpec(BaseModel): wires each unknown through ``params_`` in the residual. * ``observations`` (optional) are data-fitting conditions; each becomes a ``Condition(input=…, target=…)`` in the compiled problem. + * ``control_parameters`` (optional) declare exogenous MPC inputs such + as a boundary temperature ``u``; merged into ``domain_bounds`` and + sampled during PINN training. Multiple entries in ``equations`` coexist without any extra schema — multiphysics coupling is just several EquationSpecs that share @@ -64,6 +68,7 @@ class ProblemSpec(BaseModel): subdomains: list[SubdomainSpec] = Field(default_factory=list) equations: list[EquationSpec] = Field(default_factory=list) conditions: list[ConditionSpec] = Field(default_factory=list) + control_parameters: list[ControlParameterSpec] = Field(default_factory=list) unknowns: list[UnknownParameterSpec] = Field(default_factory=list) observations: list[ObservationSpec] = Field(default_factory=list) mesh: MeshSpec | None = Field( diff --git a/src/marimo_flow/agents/server/a2a.py b/src/marimo_flow/agents/server/a2a.py index d930745..3adab76 100644 --- a/src/marimo_flow/agents/server/a2a.py +++ b/src/marimo_flow/agents/server/a2a.py @@ -7,6 +7,7 @@ from __future__ import annotations from fasta2a import Skill +from fasta2a.pydantic_ai import agent_to_a2a from marimo_flow.agents.deps import FlowDeps from marimo_flow.agents.lead import build_lead_agent @@ -74,7 +75,8 @@ def build_a2a_app( debug: bool = False, ): agent = build_lead_agent(model=model, deps=deps) - return agent.to_a2a( + return agent_to_a2a( + agent, name=name, description=description, version=version, diff --git a/src/marimo_flow/agents/server/ag_ui.py b/src/marimo_flow/agents/server/ag_ui.py index ea52004..af76051 100644 --- a/src/marimo_flow/agents/server/ag_ui.py +++ b/src/marimo_flow/agents/server/ag_ui.py @@ -1,14 +1,30 @@ -"""AG-UI server — `marimo-flow` lead agent exposed over the AG-UI protocol.""" +"""AG-UI server — `marimo-flow` lead agent exposed over the AG-UI protocol. + +Built as a bare Starlette app whose single POST route dispatches to +`AGUIAdapter.dispatch_request` — the replacement for the deprecated +`Agent.to_ag_ui()` / `AGUIApp` (both removed in pydantic-ai 2.0). +""" from __future__ import annotations +from pydantic_ai.ui.ag_ui import AGUIAdapter +from starlette.applications import Starlette +from starlette.requests import Request +from starlette.responses import Response +from starlette.routing import Route + from marimo_flow.agents.deps import FlowDeps from marimo_flow.agents.lead import build_lead_agent def build_ag_ui_app(*, model=None, deps: FlowDeps | None = None, debug: bool = False): agent = build_lead_agent(model=model, deps=deps) - return agent.to_ag_ui(deps=deps or FlowDeps(), debug=debug) + run_deps = deps or FlowDeps() + + async def run_agent(request: Request) -> Response: + return await AGUIAdapter.dispatch_request(request, agent=agent, deps=run_deps) + + return Starlette(debug=debug, routes=[Route("/", run_agent, methods=["POST"])]) if __name__ == "__main__": diff --git a/src/marimo_flow/agents/services/composer.py b/src/marimo_flow/agents/services/composer.py index 9da5c16..282a1be 100644 --- a/src/marimo_flow/agents/services/composer.py +++ b/src/marimo_flow/agents/services/composer.py @@ -35,7 +35,8 @@ import torch from pina import Condition, LabelTensor from pina.domain import CartesianDomain -from pina.equation import Equation, FixedValue +from pina.equation import Equation +from pina.equation.zoo import FixedValue from pina.operator import grad, laplacian from pina.problem import InverseProblem, SpatialProblem, TimeDependentProblem @@ -54,6 +55,20 @@ _INPUT_VAR_CANDIDATES: tuple[str, ...] = ("x", "y", "z", "t") +def _merge_control_bounds(spec: ProblemSpec) -> dict[str, list[float]]: + bounds: dict[str, list[float]] = { + axis: [float(v[0]), float(v[1])] for axis, v in spec.domain_bounds.items() + } + for cp in spec.control_parameters: + if cp.name not in bounds: + bounds[cp.name] = [float(cp.low), float(cp.high)] + return bounds + + +def _collect_input_names(bounds: dict[str, list[float]]) -> set[str]: + return set(bounds.keys()) + + def compose_problem(spec: ProblemSpec) -> type: """Assemble a ``pina.Problem`` subclass from a ``ProblemSpec``. @@ -62,7 +77,9 @@ def compose_problem(spec: ProblemSpec) -> type: ``ProblemManager`` return shape so downstream toolsets (``ModelManager``, ``SolverManager``) keep working unchanged. """ - spatial_bounds, temporal_bounds = _split_domain(spec.domain_bounds) + domain_bounds = _merge_control_bounds(spec) + input_names = _collect_input_names(domain_bounds) + spatial_bounds, temporal_bounds = _split_domain(domain_bounds) temporal_domain = ( CartesianDomain({"t": temporal_bounds}) if temporal_bounds else None ) @@ -84,14 +101,23 @@ def compose_problem(spec: ProblemSpec) -> type: unknown_names = {u.name for u in spec.unknowns} equations: dict[str, Equation] = { - eq.name: build_equation(eq, unknown_names=unknown_names, noise=spec.noise) + eq.name: build_equation( + eq, + unknown_names=unknown_names, + input_names=input_names, + noise=spec.noise, + ) for eq in spec.equations } conditions: dict[str, Condition] = {} for cond in spec.conditions: conditions[cond.subdomain] = _compile_condition( - cond, equations, unknown_names=unknown_names + cond, + equations, + unknown_names=unknown_names, + output_variables=spec.output_variables, + input_names=input_names, ) for obs in spec.observations: conditions[obs.name] = _compile_observation(obs) @@ -126,6 +152,7 @@ def build_equation( spec: EquationSpec, *, unknown_names: set[str] | None = None, + input_names: set[str] | None = None, noise: NoiseSpec | None = None, ) -> Equation: """Compile a symbolic ``EquationSpec`` into a ``pina.Equation``. @@ -147,7 +174,7 @@ def build_equation( 2-arg direct signature. """ unknowns = set(unknown_names or ()) - symbol_names, torch_fn = _build_lambda(spec, unknowns) + symbol_names, torch_fn = _build_lambda(spec, unknowns, input_names or set()) form_unknowns = [n for n in symbol_names if n in unknowns] is_inverse = bool(form_unknowns) @@ -158,9 +185,11 @@ def _assemble(input_: Any, output_: Any, params_: Any | None) -> Any: for out_var in spec.outputs: if out_var in symbol_names: values[out_var] = output_.extract([out_var]) - for var in _INPUT_VAR_CANDIDATES: - if var in symbol_names: + for var in sorted(input_names or set(_INPUT_VAR_CANDIDATES)): + if var in symbol_names and var != "t": values[var] = input_.extract([var]) + if "t" in symbol_names: + values["t"] = input_.extract(["t"]) for pname, pval in spec.parameters.items(): if pname in symbol_names: values[pname] = float(pval) @@ -255,6 +284,8 @@ def _compile_condition( equations: dict[str, Equation], *, unknown_names: set[str] | None = None, + output_variables: list[str] | None = None, + input_names: set[str] | None = None, ) -> Condition: if cond.kind == "fixed_value": if cond.value is None: @@ -262,9 +293,26 @@ def _compile_condition( f"condition on '{cond.subdomain}' kind='fixed_value' needs value" ) return Condition(domain=cond.subdomain, equation=FixedValue(cond.value)) + if cond.kind == "parametric_dirichlet": + if not cond.parameter_name: + raise ValueError( + f"condition on '{cond.subdomain}' kind='parametric_dirichlet' " + "needs parameter_name" + ) + if not output_variables: + raise ValueError( + "parametric_dirichlet requires output_variables on ProblemSpec" + ) + field = cond.output_field or output_variables[0] + eq = _parametric_dirichlet_equation(field, cond.parameter_name) + return Condition(domain=cond.subdomain, equation=eq) if cond.kind == "equation": if cond.equation_inline is not None: - eq = build_equation(cond.equation_inline, unknown_names=unknown_names) + eq = build_equation( + cond.equation_inline, + unknown_names=unknown_names, + input_names=input_names, + ) elif cond.equation_name is not None: eq = equations.get(cond.equation_name) if eq is None: @@ -281,6 +329,15 @@ def _compile_condition( raise ValueError(f"unknown condition kind: {cond.kind!r}") +def _parametric_dirichlet_equation(field: str, parameter_name: str) -> Equation: + """Dirichlet BC ``field = parameter_name`` with the parameter read from inputs.""" + + def residual(input_: Any, output_: Any) -> Any: + return output_.extract([field]) - input_.extract([parameter_name]) + + return Equation(residual) + + def _compile_observation(obs: ObservationSpec) -> Condition: """Compile an ``ObservationSpec`` into a data-fitting PINA ``Condition``. @@ -390,7 +447,9 @@ def sample_colored(input_: Any) -> Any: def _build_lambda( - spec: EquationSpec, unknowns: set[str] + spec: EquationSpec, + unknowns: set[str], + input_names: set[str], ) -> tuple[list[str], Callable[..., Any]]: """Parse ``spec.form`` via sympy and return (symbol_names, torch_fn). @@ -407,6 +466,9 @@ def _build_lambda( for axis in _INPUT_VAR_CANDIDATES: if _token_present(spec.form, axis): names.add(axis) + for axis in input_names: + if _token_present(spec.form, axis): + names.add(axis) sympy_locals = {n: sympy.Symbol(n) for n in names} expr = sympy.sympify(spec.form, locals=sympy_locals) diff --git a/src/marimo_flow/agents/services/mesh_domain.py b/src/marimo_flow/agents/services/mesh_domain.py index bd32a62..9f84e12 100644 --- a/src/marimo_flow/agents/services/mesh_domain.py +++ b/src/marimo_flow/agents/services/mesh_domain.py @@ -19,7 +19,7 @@ import numpy as np import torch -from pina.domain.domain_interface import DomainInterface +from pina.domain import DomainInterface from pina.label_tensor import LabelTensor from marimo_flow.agents.schemas import MeshSpec diff --git a/src/marimo_flow/agents/toolsets/control.py b/src/marimo_flow/agents/toolsets/control.py index d4ada41..78fa3ba 100644 --- a/src/marimo_flow/agents/toolsets/control.py +++ b/src/marimo_flow/agents/toolsets/control.py @@ -26,7 +26,6 @@ ControlVariableSpec, StateSpec, ) -from marimo_flow.control import run_mpc_step, simulate_closed_loop control_toolset: FunctionToolset[FlowDeps] = FunctionToolset(id="control") @@ -65,6 +64,8 @@ def mpc_step( surrogate_registry_key: str, ) -> dict[str, Any]: """Solve one MPC horizon given a live surrogate callable.""" + from marimo_flow.control.mpc import run_mpc_step + plan_model = ControlPlan.model_validate(plan) fn = ctx.deps.registry.get(surrogate_registry_key) if fn is None or not callable(fn): @@ -75,6 +76,36 @@ def mpc_step( return {"controls_horizon": ctrl.tolist(), **info} +@control_toolset.tool +def register_pinn_surrogate_tool( + ctx: RunContext[FlowDeps], + solver_registry_key: str, + surrogate_registry_key: str, + dt: float, + output_field: str = "T", + nx: int = 21, + blend: float = 0.6, +) -> str: + """Wrap a trained PINN solver as an MPC surrogate in ``deps.registry``.""" + from marimo_flow.control.pinn_surrogate import register_pinn_surrogate + + solver = ctx.deps.registry.get(solver_registry_key) + if solver is None: + raise ModelRetry( + f"no solver registered under {solver_registry_key!r}; train first" + ) + register_pinn_surrogate( + ctx.deps.registry, + surrogate_registry_key, + solver, + dt=dt, + output_field=output_field, + nx=nx, + blend=blend, + ) + return surrogate_registry_key + + @control_toolset.tool def closed_loop_simulation( ctx: RunContext[FlowDeps], @@ -85,6 +116,8 @@ def closed_loop_simulation( n_steps: int = 20, ) -> dict[str, list[list[float]]]: """Run a closed-loop rollout and return the state / control trajectory.""" + from marimo_flow.control.mpc import simulate_closed_loop + plan_model = ControlPlan.model_validate(plan) sur = ctx.deps.registry.get(surrogate_registry_key) plant = ctx.deps.registry.get(true_dynamics_registry_key) diff --git a/src/marimo_flow/agents/toolsets/lead.py b/src/marimo_flow/agents/toolsets/lead.py index 4b75d46..fc31e44 100644 --- a/src/marimo_flow/agents/toolsets/lead.py +++ b/src/marimo_flow/agents/toolsets/lead.py @@ -6,7 +6,7 @@ FlowState instance. Every invocation is wrapped in an ``ExperimentRecord`` that is opened -before ``graph.run()`` (status=``running``) and closed afterwards with +before the graph run (status=``running``) and closed afterwards with a status inferred from the final FlowState (completed / failed). """ @@ -16,8 +16,7 @@ from pydantic_ai import FunctionToolset, RunContext from marimo_flow.agents.deps import FlowDeps -from marimo_flow.agents.graph import build_graph, start_node -from marimo_flow.agents.persistence import MLflowStatePersistence +from marimo_flow.agents.runner import run_graph from marimo_flow.agents.services import complete_experiment, start_experiment from marimo_flow.agents.state import FlowState @@ -28,22 +27,16 @@ async def run_pina_workflow(ctx: RunContext[FlowDeps], intent: str) -> str: """Run the PINA team graph end-to-end. Returns the team's final summary.""" if mlflow.active_run() is None: - run = mlflow.start_run() - run_id = run.info.run_id + run_id = mlflow.start_run().info.run_id else: run_id = mlflow.active_run().info.run_id state = FlowState(user_intent=intent, mlflow_run_id=run_id) ctx.deps.state = state experiment = start_experiment(state, ctx.deps) - graph = build_graph() - persistence = MLflowStatePersistence(run_id=run_id) - persistence.set_graph_types(graph) try: - result = await graph.run( - start_node(), state=state, deps=ctx.deps, persistence=persistence - ) + output = await run_graph(state, ctx.deps, snapshot_run_id=run_id) except Exception: complete_experiment(experiment, state, ctx.deps, status="failed") raise complete_experiment(experiment, state, ctx.deps) - return str(result.output) + return output diff --git a/src/marimo_flow/agents/toolsets/training.py b/src/marimo_flow/agents/toolsets/training.py index 56bbed3..222299e 100644 --- a/src/marimo_flow/agents/toolsets/training.py +++ b/src/marimo_flow/agents/toolsets/training.py @@ -41,7 +41,7 @@ def discretise_domain( "agent can run first, then retry discretise_domain." ) problem = ctx.deps.registry[state.problem_artifact_uri] - problem.discretise_domain(n=n, mode=mode, domains="all") + problem.discretise_domain(n=n, mode=mode) return f"Discretised domain: n={n}, mode={mode!r}." diff --git a/src/marimo_flow/cli.py b/src/marimo_flow/cli.py index 480558f..c67a209 100644 --- a/src/marimo_flow/cli.py +++ b/src/marimo_flow/cli.py @@ -71,7 +71,7 @@ def solve( level = logging.DEBUG if verbose else logging.WARNING logging.basicConfig(level=level, format="%(levelname)s %(name)s: %(message)s") - from marimo_flow.agents.graph import build_graph, start_node + from marimo_flow.agents.runner import run_graph from marimo_flow.agents.state import FlowState deps = FlowDeps() @@ -89,14 +89,10 @@ def solve( f"{intent}\n(Training hints: max_epochs={max_epochs}, n_points={n_points}.)" ) state = FlowState(user_intent=full_intent) - graph = build_graph() async def _run() -> str: try: - result = await asyncio.wait_for( - graph.run(start_node(), state=state, deps=deps), timeout=timeout - ) - return str(result.output) + return await asyncio.wait_for(run_graph(state, deps), timeout=timeout) finally: await deps.aclose() diff --git a/src/marimo_flow/control/__init__.py b/src/marimo_flow/control/__init__.py index 5cfde1b..6c8daae 100644 --- a/src/marimo_flow/control/__init__.py +++ b/src/marimo_flow/control/__init__.py @@ -13,6 +13,31 @@ examples escalate to Lead. """ +from marimo_flow.control.heat_rod import ( + FiniteDifferenceHeatRod, + build_heat_rod_problem_spec, + generate_step_dataset, + make_plant_stepper, + make_rollout_surrogate, + train_step_surrogate, +) from marimo_flow.control.mpc import run_mpc_step, simulate_closed_loop +from marimo_flow.control.pinn_surrogate import ( + make_pinn_rollout_surrogate, + query_field_mean, + register_pinn_surrogate, +) -__all__ = ["run_mpc_step", "simulate_closed_loop"] +__all__ = [ + "FiniteDifferenceHeatRod", + "build_heat_rod_problem_spec", + "generate_step_dataset", + "make_pinn_rollout_surrogate", + "make_plant_stepper", + "make_rollout_surrogate", + "query_field_mean", + "register_pinn_surrogate", + "run_mpc_step", + "simulate_closed_loop", + "train_step_surrogate", +] diff --git a/src/marimo_flow/control/heat_rod.py b/src/marimo_flow/control/heat_rod.py new file mode 100644 index 0000000..d242c35 --- /dev/null +++ b/src/marimo_flow/control/heat_rod.py @@ -0,0 +1,257 @@ +"""1D heat-rod plant, ProblemSpec helper, and ROM surrogates for MPC demos. + +* ``FiniteDifferenceHeatRod`` — explicit FTCS ground-truth plant. +* ``build_heat_rod_problem_spec`` — parametric PINN problem (``T(1)=u``). +* ``train_step_surrogate`` — optional MLP ROM trained on plant rollouts. +""" + +from __future__ import annotations + +from collections.abc import Callable +from dataclasses import dataclass, field + +import numpy as np +import torch +import torch.nn as nn + +from marimo_flow.agents.schemas import ( + ConditionSpec, + ControlParameterSpec, + DerivativeSpec, + EquationSpec, + ProblemSpec, + SubdomainSpec, +) + +PredictStepFn = Callable[[float, float], float] +SurrogateFn = Callable[[np.ndarray, np.ndarray], np.ndarray] + + +@dataclass +class FiniteDifferenceHeatRod: + """Explicit FTCS stepper for ``T_t = alpha T_xx`` on x in [0, 1]. + + Left boundary is fixed at 0; the right boundary temperature is the + scalar control input ``u``. + """ + + nx: int = 51 + alpha: float = 0.05 + dt: float = 0.002 + T: np.ndarray = field(init=False, repr=False) + + def __post_init__(self) -> None: + if self.nx < 3: + raise ValueError("nx must be >= 3") + self.dx = 1.0 / float(self.nx - 1) + self._r = self.alpha * self.dt / (self.dx**2) + if self._r > 0.5: + raise ValueError( + f"FTCS unstable: alpha*dt/dx^2={self._r:.4f} > 0.5; reduce dt or alpha" + ) + self.T = np.zeros(self.nx, dtype=np.float64) + + @property + def center_index(self) -> int: + return self.nx // 2 + + def center(self) -> float: + return float(self.T[self.center_index]) + + def mean(self) -> float: + """Spatial mean — scalar MPC observation that responds in one step.""" + return float(self.T.mean()) + + def set_uniform(self, value: float) -> None: + self.T[:] = float(value) + + def set_sinusoidal(self, amplitude: float) -> None: + x = np.linspace(0.0, 1.0, self.nx) + self.T[:] = float(amplitude) * np.sin(np.pi * x) + + def randomize(self, rng: np.random.Generator) -> None: + mode = rng.choice(["uniform", "sinusoidal"]) + amp = float(rng.uniform(0.0, 0.4)) + if mode == "uniform": + self.set_uniform(amp) + else: + self.set_sinusoidal(amp) + + def step(self, u: float) -> float: + """Advance one time step; return the new spatial mean.""" + old = self.T.copy() + for i in range(1, self.nx - 1): + self.T[i] = old[i] + self._r * (old[i - 1] - 2.0 * old[i] + old[i + 1]) + self.T[0] = 0.0 + self.T[-1] = float(u) + return self.mean() + + +def generate_step_dataset( + plant: FiniteDifferenceHeatRod, + n_samples: int, + rng: np.random.Generator, + *, + u_low: float = 0.0, + u_high: float = 1.0, +) -> tuple[np.ndarray, np.ndarray]: + """Sample ``(T_mean, u) -> T_mean_next`` pairs from the plant.""" + if n_samples < 1: + raise ValueError("n_samples must be >= 1") + inputs = np.zeros((n_samples, 2), dtype=np.float64) + targets = np.zeros((n_samples, 1), dtype=np.float64) + for i in range(n_samples): + if i % 32 == 0: + plant.randomize(rng) + t_mean = plant.mean() + u = float(rng.uniform(u_low, u_high)) + inputs[i, 0] = t_mean + inputs[i, 1] = u + targets[i, 0] = plant.step(u) + return inputs, targets + + +def train_step_surrogate( + inputs: np.ndarray, + targets: np.ndarray, + *, + hidden: tuple[int, ...] = (32, 32), + epochs: int = 200, + lr: float = 1e-3, + batch_size: int = 256, +) -> PredictStepFn: + """Fit a small MLP on plant rollouts; return a numpy predict callable.""" + if inputs.ndim != 2 or inputs.shape[1] != 2: + raise ValueError("inputs must have shape (n, 2)") + if targets.ndim != 2 or targets.shape[1] != 1: + raise ValueError("targets must have shape (n, 1)") + if len(inputs) == 0: + raise ValueError("inputs must be non-empty") + + x_mean = inputs.mean(axis=0) + x_std = inputs.std(axis=0) + x_std = np.where(x_std < 1e-6, 1.0, x_std) + y_mean = float(targets.mean()) + y_std = float(targets.std()) + if y_std < 1e-6: + y_std = 1.0 + + x_norm = (inputs - x_mean) / x_std + y_norm = (targets - y_mean) / y_std + + layers: list[nn.Module] = [] + in_dim = 2 + for width in hidden: + layers.extend([nn.Linear(in_dim, width), nn.Tanh()]) + in_dim = width + layers.append(nn.Linear(in_dim, 1)) + model = nn.Sequential(*layers) + + x_t = torch.tensor(x_norm, dtype=torch.float32) + y_t = torch.tensor(y_norm, dtype=torch.float32) + opt = torch.optim.Adam(model.parameters(), lr=lr) + loss_fn = nn.MSELoss() + + n = len(x_t) + for _ in range(epochs): + perm = torch.randperm(n) + for start in range(0, n, batch_size): + idx = perm[start : start + batch_size] + pred = model(x_t[idx]) + loss = loss_fn(pred, y_t[idx]) + opt.zero_grad() + loss.backward() + opt.step() + + model.eval() + + def predict(t_mean: float, u: float) -> float: + raw = np.array([[t_mean, u]], dtype=np.float64) + normed = (raw - x_mean) / x_std + with torch.no_grad(): + out = model(torch.tensor(normed, dtype=torch.float32)) + return float(out.item() * y_std + y_mean) + + return predict + + +def make_rollout_surrogate(predict_step: PredictStepFn) -> SurrogateFn: + """Chain one-step predictions over the MPC horizon.""" + + def surrogate(state: np.ndarray, controls: np.ndarray) -> np.ndarray: + horizon = len(controls) + traj = np.zeros((horizon, state.shape[0]), dtype=np.float64) + x = float(state[0]) + for i in range(horizon): + x = predict_step(x, float(controls[i, 0])) + traj[i, 0] = x + return traj + + return surrogate + + +def make_plant_stepper(plant: FiniteDifferenceHeatRod) -> SurrogateFn: + """Advance the full field; ignores ``state`` (plant memory is authoritative).""" + + def step(state: np.ndarray, controls: np.ndarray) -> np.ndarray: + _ = state + horizon = len(controls) + traj = np.zeros((horizon, 1), dtype=np.float64) + for i in range(horizon): + traj[i, 0] = plant.step(float(controls[i, 0])) + return traj + + return step + + +def build_heat_rod_problem_spec( + *, + alpha: float = 0.08, + u_low: float = 0.0, + u_high: float = 1.0, +) -> ProblemSpec: + """1D heat equation with controllable right-boundary temperature ``u``.""" + ambient = {"x": [0.0, 1.0], "t": [0.0, 1.0], "u": [u_low, u_high]} + return ProblemSpec( + name="heat_rod_1d_controlled", + output_variables=["T"], + domain_bounds={"x": [0.0, 1.0], "t": [0.0, 1.0]}, + control_parameters=[ + ControlParameterSpec(name="u", low=u_low, high=u_high), + ], + subdomains=[ + SubdomainSpec(name="D", bounds=ambient), + SubdomainSpec( + name="left", bounds={"x": 0.0, "t": [0.0, 1.0], "u": [u_low, u_high]} + ), + SubdomainSpec( + name="right", + bounds={"x": 1.0, "t": [0.0, 1.0], "u": [u_low, u_high]}, + ), + SubdomainSpec( + name="t0", bounds={"x": [0.0, 1.0], "t": 0.0, "u": [u_low, u_high]} + ), + ], + equations=[ + EquationSpec( + name="heat", + form="T_t - alpha*T_xx", + outputs=["T"], + derivatives=[ + DerivativeSpec(name="T_t", field="T", wrt=["t"]), + DerivativeSpec(name="T_xx", field="T", wrt=["x", "x"]), + ], + parameters={"alpha": alpha}, + ), + ], + conditions=[ + ConditionSpec(subdomain="D", kind="equation", equation_name="heat"), + ConditionSpec(subdomain="left", kind="fixed_value", value=0.0), + ConditionSpec( + subdomain="right", + kind="parametric_dirichlet", + parameter_name="u", + ), + ConditionSpec(subdomain="t0", kind="fixed_value", value=0.0), + ], + ) diff --git a/src/marimo_flow/control/mpc.py b/src/marimo_flow/control/mpc.py index 78e35f7..6dd3049 100644 --- a/src/marimo_flow/control/mpc.py +++ b/src/marimo_flow/control/mpc.py @@ -7,7 +7,7 @@ import numpy as np from scipy.optimize import minimize -from marimo_flow.agents.schemas import ControlPlan +from marimo_flow.agents.schemas.control import ControlPlan SurrogateFn = Callable[[np.ndarray, np.ndarray], np.ndarray] """Signature: ``surrogate(state_now, controls_over_horizon) -> state_trajectory`` diff --git a/src/marimo_flow/control/pinn_surrogate.py b/src/marimo_flow/control/pinn_surrogate.py new file mode 100644 index 0000000..796dbae --- /dev/null +++ b/src/marimo_flow/control/pinn_surrogate.py @@ -0,0 +1,117 @@ +"""PINN field model → scalar MPC surrogate (reduced-order mean temperature).""" + +from __future__ import annotations + +from collections.abc import Callable +from typing import Any, Literal + +import numpy as np +import torch +from pina.label_tensor import LabelTensor + +from marimo_flow.control.heat_rod import SurrogateFn + +ObserveKind = Literal["mean", "center"] + + +def query_field_mean( + solver: Any, + *, + t: float, + u: float, + output_field: str = "T", + nx: int = 21, + input_order: list[str] | None = None, +) -> float: + """Evaluate a trained PINN on a spatial line and return the spatial mean.""" + xs = np.linspace(0.0, 1.0, nx, dtype=np.float64) + labels = input_order or ["x", "t", "u"] + columns: list[np.ndarray] = [] + for label in labels: + if label == "x": + columns.append(xs) + elif label == "t": + columns.append(np.full(nx, t, dtype=np.float64)) + elif label == "u": + columns.append(np.full(nx, u, dtype=np.float64)) + else: + raise ValueError(f"unsupported input label {label!r} in query") + pts = LabelTensor( + torch.tensor(np.column_stack(columns), dtype=torch.float32), + labels, + ) + values = _solver_forward(solver, pts, output_field) + return float(np.mean(values)) + + +def make_pinn_rollout_surrogate( + solver: Any, + *, + dt: float, + output_field: str = "T", + nx: int = 21, + input_order: list[str] | None = None, + blend: float = 0.6, +) -> SurrogateFn: + """Chain reduced-order PINN predictions for MPC horizon planning. + + At each horizon step the PINN field mean at ``(t=(k+1)*dt, u_k)`` is + blended with the rolled scalar state so the optimizer sees state + dependence while the field comes from the trained network. + """ + + def surrogate(state: np.ndarray, controls: np.ndarray) -> np.ndarray: + horizon = len(controls) + traj = np.zeros((horizon, state.shape[0]), dtype=np.float64) + x = float(state[0]) + for k in range(horizon): + u = float(controls[k, 0]) + t = (k + 1) * dt + field_mean = query_field_mean( + solver, + t=t, + u=u, + output_field=output_field, + nx=nx, + input_order=input_order, + ) + x = (1.0 - blend) * x + blend * field_mean + traj[k, 0] = x + return traj + + return surrogate + + +def register_pinn_surrogate( + registry: dict[str, Any], + key: str, + solver: Any, + *, + dt: float, + output_field: str = "T", + nx: int = 21, + blend: float = 0.6, +) -> Callable[[np.ndarray, np.ndarray], np.ndarray]: + """Store a PINN rollout surrogate in ``deps.registry`` and return it.""" + fn = make_pinn_rollout_surrogate( + solver, + dt=dt, + output_field=output_field, + nx=nx, + blend=blend, + ) + registry[key] = fn + return fn + + +def _solver_forward(solver: Any, pts: LabelTensor, output_field: str) -> np.ndarray: + solver.eval() + with torch.no_grad(): + out = solver(pts) + if hasattr(out, "extract"): + tensor = out.extract([output_field]).detach().cpu().numpy() + elif hasattr(out, "detach"): + tensor = out.detach().cpu().numpy() + else: + tensor = np.asarray(out) + return np.asarray(tensor, dtype=np.float64).reshape(-1) diff --git a/src/marimo_flow/core/model_factory.py b/src/marimo_flow/core/model_factory.py index 26dbc48..098c023 100644 --- a/src/marimo_flow/core/model_factory.py +++ b/src/marimo_flow/core/model_factory.py @@ -15,11 +15,11 @@ from marimo_flow.core.model_manager import ModelManager if TYPE_CHECKING: - from pina.problem import AbstractProblem + from pina.problem import BaseProblem def create_model_for_problem( - problem: AbstractProblem, + problem: BaseProblem, *, layers: list[int] | None = None, activation: type[nn.Module] | None = None, diff --git a/src/marimo_flow/core/model_manager.py b/src/marimo_flow/core/model_manager.py index 78819ab..025f8a2 100644 --- a/src/marimo_flow/core/model_manager.py +++ b/src/marimo_flow/core/model_manager.py @@ -22,17 +22,17 @@ import torch.nn as nn if TYPE_CHECKING: - from pina.problem import AbstractProblem + from pina.problem import BaseProblem -def _in_out_dims(problem: AbstractProblem) -> tuple[int, int]: +def _in_out_dims(problem: BaseProblem) -> tuple[int, int]: if problem.input_variables is None or problem.output_variables is None: raise ValueError("Problem must define input_variables and output_variables.") return len(problem.input_variables), len(problem.output_variables) def _create_feedforward( - problem: AbstractProblem, + problem: BaseProblem, *, layers: list[int] | None = None, activation: type[nn.Module] | None = None, @@ -50,7 +50,7 @@ def _create_feedforward( def _create_residual_feedforward( - problem: AbstractProblem, + problem: BaseProblem, *, layers: list[int] | None = None, activation: type[nn.Module] | None = None, @@ -68,7 +68,7 @@ def _create_residual_feedforward( def _create_fno( - problem: AbstractProblem, + problem: BaseProblem, *, lifting_net: nn.Module | None = None, projecting_net: nn.Module | None = None, @@ -103,7 +103,7 @@ def _create_fno( def _create_deeponet( - problem: AbstractProblem, + problem: BaseProblem, *, branch_net: nn.Module | None = None, trunk_net: nn.Module | None = None, @@ -129,7 +129,7 @@ def _create_deeponet( def _create_pirate( - problem: AbstractProblem, + problem: BaseProblem, *, layers: list[int] | None = None, activation: type[nn.Module] | None = None, @@ -148,7 +148,7 @@ def _create_pirate( def _create_walrus( - problem: AbstractProblem, + problem: BaseProblem, *, checkpoint: str = "polymathic-ai/walrus", freeze_backbone: bool = True, @@ -192,7 +192,7 @@ def create( cls, kind: str, *, - problem: AbstractProblem, + problem: BaseProblem, **kwargs: Any, ) -> nn.Module: key = kind.strip().lower() diff --git a/src/marimo_flow/core/problem_manager.py b/src/marimo_flow/core/problem_manager.py index a5e76e6..e1b442f 100644 --- a/src/marimo_flow/core/problem_manager.py +++ b/src/marimo_flow/core/problem_manager.py @@ -9,7 +9,8 @@ import torch from pina import Condition from pina.domain import CartesianDomain -from pina.equation import Equation, FixedValue +from pina.equation import Equation +from pina.equation.zoo import FixedValue from pina.operator import grad, laplacian from pina.problem import SpatialProblem, TimeDependentProblem from pina.problem.zoo import SupervisedProblem diff --git a/src/marimo_flow/core/solver_manager.py b/src/marimo_flow/core/solver_manager.py index 8f6b14d..a4e00d5 100644 --- a/src/marimo_flow/core/solver_manager.py +++ b/src/marimo_flow/core/solver_manager.py @@ -14,15 +14,28 @@ import torch import torch.nn as nn from pina.optim import TorchOptimizer -from pina.problem import AbstractProblem +from pina.problem import BaseProblem + +# PINA 0.3 renamed the solver classes to verbose *SingleModelSolver forms; +# alias back to the established short domain names (PINN, SAPINN, …). +from pina.solver import ( + CausalPhysicsInformedSingleModelSolver as CausalPINN, +) +from pina.solver import ( + GradientPhysicsInformedSingleModelSolver as GradientPINN, +) +from pina.solver import ( + PhysicsInformedSingleModelSolver as PINN, +) +from pina.solver import ( + RBAPhysicsInformedSingleModelSolver as RBAPINN, +) +from pina.solver import ( + SelfAdaptivePhysicsInformedSolver as SAPINN, +) from pina.solver import ( - PINN, - RBAPINN, - CausalPINN, - GradientPINN, - SupervisedSolver, + SupervisedSingleModelSolver as SupervisedSolver, ) -from pina.solver import SelfAdaptivePINN as SAPINN def _resolve_optimizer( @@ -46,7 +59,7 @@ def _make_standard_pinn_factory( """ def _factory( - problem: AbstractProblem, + problem: BaseProblem, model: nn.Module, optimizer: torch.optim.Optimizer | TorchOptimizer | None = None, learning_rate: float = 1e-3, @@ -69,7 +82,7 @@ def _factory( def _create_supervised_solver( - problem: AbstractProblem, + problem: BaseProblem, model: nn.Module, optimizer: torch.optim.Optimizer | TorchOptimizer | None = None, learning_rate: float = 1e-3, @@ -94,7 +107,7 @@ def _create_supervised_solver( def _create_sapinn( - problem: AbstractProblem, + problem: BaseProblem, model: nn.Module, optimizer: torch.optim.Optimizer | TorchOptimizer | None = None, learning_rate: float = 1e-3, @@ -140,7 +153,7 @@ def create( cls, kind: str, *, - problem: AbstractProblem, + problem: BaseProblem, model: nn.Module, **kwargs: Any, ) -> Any: diff --git a/src/marimo_flow/core/training.py b/src/marimo_flow/core/training.py index 3fc49ff..5a4a52b 100644 --- a/src/marimo_flow/core/training.py +++ b/src/marimo_flow/core/training.py @@ -9,9 +9,21 @@ from urllib.parse import unquote, urlparse import mlflow -from pina.solver import PINN, SupervisedSolver +import torch +from pina.label_tensor import LabelTensor +from pina.solver import ( + PhysicsInformedSingleModelSolver as PINN, +) +from pina.solver import ( + SupervisedSingleModelSolver as SupervisedSolver, +) from pina.trainer import Trainer +# torch >= 2.6 flips torch.load's default to weights_only=True. PINA checkpoints +# embed LabelTensor instances, so mlflow.pytorch autolog's model reload fails to +# unpickle them unless the class is allowlisted. Registering it is idempotent. +torch.serialization.add_safe_globals([LabelTensor]) + _UNSET = object() _FALLBACK_LIGHTNING_ROOT = Path("data") / "mlflow" / "lightning" @@ -71,7 +83,7 @@ def train_solver( so Lightning's ``checkpoints/`` and ``lightning_logs/`` never escape into the working directory. Pass an explicit path to override. """ - solver.problem.discretise_domain(n=n_points, mode=sample_mode, domains="all") + solver.problem.discretise_domain(n=n_points, mode=sample_mode) root_dir = ( Path(default_root_dir) if default_root_dir is not None diff --git a/tests/agents/test_composer.py b/tests/agents/test_composer.py index bbbb737..6fe6b80 100644 --- a/tests/agents/test_composer.py +++ b/tests/agents/test_composer.py @@ -386,6 +386,16 @@ def test_observation_without_materialisation_errors(): compose_problem(spec) +def test_compose_heat_rod_parametric_control(): + from marimo_flow.control.heat_rod import build_heat_rod_problem_spec + + cls = compose_problem(build_heat_rod_problem_spec(alpha=0.08)) + instance = cls() + assert set(instance.input_variables or []) == {"x", "t", "u"} + assert instance.output_variables == ["T"] + assert "right" in instance.domains + + def test_compose_emits_meaningful_class_name(): cls = compose_problem(_burgers_spec(name="my_special_burgers")) assert cls.__name__ == "my_special_burgers" diff --git a/tests/agents/test_demos_compose.py b/tests/agents/test_demos_compose.py index 21cff6f..d35f556 100644 --- a/tests/agents/test_demos_compose.py +++ b/tests/agents/test_demos_compose.py @@ -9,8 +9,6 @@ from __future__ import annotations import numpy as np -import torch -from pina.label_tensor import LabelTensor from marimo_flow.agents.schemas import ( ConditionSpec, @@ -23,7 +21,7 @@ SubdomainSpec, ) from marimo_flow.agents.services.composer import compose_problem -from marimo_flow.control import run_mpc_step +from marimo_flow.control import make_rollout_surrogate, run_mpc_step def test_ns3d_cavity_demo_composes(): @@ -67,38 +65,15 @@ def test_ns3d_cavity_demo_composes(): def test_heat_rod_demo_composes_and_mpc_step_runs(): - spec = ProblemSpec( - name="heat_rod_1d_demo", - output_variables=["T"], - domain_bounds={"x": [0.0, 1.0], "t": [0.0, 1.0]}, - subdomains=[ - SubdomainSpec(name="D", bounds={"x": [0.0, 1.0], "t": [0.0, 1.0]}), - SubdomainSpec(name="t0", bounds={"x": [0.0, 1.0], "t": 0.0}), - ], - equations=[ - EquationSpec( - name="heat", - form="T_t - alpha*T_xx", - outputs=["T"], - derivatives=[ - DerivativeSpec(name="T_t", field="T", wrt=["t"]), - DerivativeSpec(name="T_xx", field="T", wrt=["x", "x"]), - ], - parameters={"alpha": 0.05}, - ), - ], - conditions=[ - ConditionSpec(subdomain="D", kind="equation", equation_name="heat"), - ConditionSpec(subdomain="t0", kind="fixed_value", value=0.0), - ], - ) - problem = compose_problem(spec)() - assert problem.input_variables == ["x", "t"] + from marimo_flow.control.heat_rod import build_heat_rod_problem_spec + + problem = compose_problem(build_heat_rod_problem_spec(alpha=0.08))() + assert set(problem.input_variables or []) == {"x", "t", "u"} + + def predict(t_centre: float, u: float) -> float: + return 0.85 * t_centre + 0.15 * u - # Surrogate is deterministic, no training — MPC just needs any callable. - def surrogate(state, controls): - _ = LabelTensor(torch.tensor([[0.5, 0.05]], dtype=torch.float32), ["x", "t"]) - return np.cumsum(controls, axis=0) * 0.1 + state[0] + surrogate = make_rollout_surrogate(predict) plan = ControlPlan( name="heat_rod_mpc_demo", diff --git a/tests/agents/test_deps.py b/tests/agents/test_deps.py index eb41c0e..b3c0688 100644 --- a/tests/agents/test_deps.py +++ b/tests/agents/test_deps.py @@ -130,7 +130,7 @@ def test_load_config_honours_marimo_flow_config_env(monkeypatch, tmp_path): def test_unknown_provider_raises(monkeypatch): monkeypatch.setenv("OLLAMA_BASE_URL", "http://localhost:11434/v1") - with pytest.raises(Exception): + with pytest.raises(ValueError): get_model("route", override="no-such-provider:foo") diff --git a/tests/agents/test_e2e.py b/tests/agents/test_e2e.py index f613295..256026a 100644 --- a/tests/agents/test_e2e.py +++ b/tests/agents/test_e2e.py @@ -16,8 +16,7 @@ from pydantic_ai.models.test import TestModel from marimo_flow.agents.deps import FlowDeps -from marimo_flow.agents.graph import build_graph, start_node -from marimo_flow.agents.persistence import MLflowStatePersistence +from marimo_flow.agents.runner import run_graph from marimo_flow.agents.schemas import TaskSpec from marimo_flow.agents.state import FlowState @@ -127,7 +126,6 @@ def _fake_compose(spec): # noqa: ARG001 — we ignore spec shape in the test _make_fake_register_artifact("training"), ) - graph = build_graph() # Pre-populate task_spec so TriageNode fast-paths to RouteNode # without needing a live triage LLM in the test. state = FlowState( @@ -144,13 +142,9 @@ def _fake_compose(spec): # noqa: ARG001 — we ignore spec shape in the test ), ) deps = FlowDeps(provenance_db_path=":memory:") - persistence = MLflowStatePersistence(run_id=tmp_mlflow) - persistence.set_graph_types(graph) - result = await graph.run( - start_node(), state=state, deps=deps, persistence=persistence - ) - assert "done" in result.output.lower() or "trained" in result.output.lower() + result = await run_graph(state, deps, snapshot_run_id=tmp_mlflow) + assert "done" in result.lower() or "trained" in result.lower() client = mlflow.MlflowClient() artifacts = {a.path for a in client.list_artifacts(tmp_mlflow)} diff --git a/tests/agents/test_graph.py b/tests/agents/test_graph.py index d8ce551..bcdd87a 100644 --- a/tests/agents/test_graph.py +++ b/tests/agents/test_graph.py @@ -30,7 +30,7 @@ def test_graph_contains_all_registered_nodes(): MLflowNode, ) } - assert expected.issubset(set(graph.node_defs.keys())) + assert expected.issubset(set(graph.nodes.keys())) def test_start_node_is_triage(): @@ -39,7 +39,7 @@ def test_start_node_is_triage(): def test_graph_renders_mermaid(): graph = build_graph() - code = graph.mermaid_code(start_node=TriageNode) + code = graph.render() assert "TriageNode" in code assert "RouteNode" in code assert "stateDiagram" in code or "graph" in code.lower() diff --git a/tests/agents/test_heat_rod.py b/tests/agents/test_heat_rod.py new file mode 100644 index 0000000..9a05388 --- /dev/null +++ b/tests/agents/test_heat_rod.py @@ -0,0 +1,92 @@ +"""Tests for the 1D heat-rod plant + reduced-order surrogate.""" + +from __future__ import annotations + +import numpy as np + +from marimo_flow.agents.schemas import ( + ControlPlan, + ControlVariableSpec, + StateSpec, +) +from marimo_flow.control import ( + FiniteDifferenceHeatRod, + generate_step_dataset, + make_plant_stepper, + make_rollout_surrogate, + run_mpc_step, + simulate_closed_loop, + train_step_surrogate, +) + + +def test_rollout_surrogate_chains_state(): + def predict(t_centre: float, u: float) -> float: + return 0.9 * t_centre + 0.1 * u + + surrogate = make_rollout_surrogate(predict) + traj = surrogate(np.array([1.0]), np.array([[0.5], [0.5]])) + assert traj.shape == (2, 1) + assert traj[0, 0] == 0.9 * 1.0 + 0.1 * 0.5 + assert traj[1, 0] == 0.9 * traj[0, 0] + 0.1 * 0.5 + + +def test_plant_stepper_advances_field(): + plant = FiniteDifferenceHeatRod(nx=11, alpha=0.05, dt=0.01) + plant.set_uniform(0.0) + stepper = make_plant_stepper(plant) + traj = stepper(np.array([0.0]), np.full((10, 1), 1.0)) + assert traj.shape == (10, 1) + assert traj[-1, 0] > 0.0 + + +def test_trained_surrogate_enables_mpc_step(): + rng = np.random.default_rng(0) + plant = FiniteDifferenceHeatRod(nx=21, alpha=0.05, dt=0.01) + inputs, targets = generate_step_dataset(plant, 400, rng) + predict = train_step_surrogate(inputs, targets, epochs=30) + surrogate = make_rollout_surrogate(predict) + + plan = ControlPlan( + name="heat_rod", + surrogate_uri="mem://heat", + horizon=4, + dt=0.01, + controls=[ControlVariableSpec(name="u", low=0.0, high=1.0, initial=0.5)], + states=[StateSpec(name="T_mean", target=0.6, weight=1.0)], + ) + ctrl, info = run_mpc_step(plan, np.array([0.0]), surrogate) + assert ctrl.shape == (4, 1) + assert np.all(ctrl >= -1e-9) + assert np.all(ctrl <= 1.0 + 1e-9) + assert info["success"] + + +def test_closed_loop_plant_moves_toward_setpoint(): + rng = np.random.default_rng(1) + plant = FiniteDifferenceHeatRod(nx=11, alpha=0.05, dt=0.01) + inputs, targets = generate_step_dataset(plant, 800, rng) + predict = train_step_surrogate(inputs, targets, epochs=60) + surrogate = make_rollout_surrogate(predict) + + loop_plant = FiniteDifferenceHeatRod(nx=11, alpha=0.05, dt=0.01) + loop_plant.set_uniform(0.0) + plant_step = make_plant_stepper(loop_plant) + + plan = ControlPlan( + name="heat_rod", + surrogate_uri="mem://heat", + horizon=6, + dt=0.01, + controls=[ControlVariableSpec(name="u", low=0.0, high=1.0, initial=0.5)], + states=[StateSpec(name="T_mean", target=0.6, weight=1.0)], + ) + traj = simulate_closed_loop( + plan, + initial_state=np.array([0.0]), + surrogate=surrogate, + true_dynamics=plant_step, + n_steps=40, + ) + assert traj["states"][-1, 0] > traj["states"][0, 0] + assert np.mean(traj["controls"][:, 0]) > 0.1 diff --git a/tests/agents/test_lead_layout.py b/tests/agents/test_lead_layout.py index c851018..bdc69bb 100644 --- a/tests/agents/test_lead_layout.py +++ b/tests/agents/test_lead_layout.py @@ -33,8 +33,9 @@ def test_default_layout_uses_data_mlflow_no_mlruns(tmp_path, monkeypatch): assert (tmp_path / "data" / "mlflow" / "artifacts").is_dir() # 3. CWD does NOT contain ./mlruns/ — that's the legacy Default-Experiment # fallback we're moving away from. - assert not (tmp_path / "mlruns").exists(), \ + assert not (tmp_path / "mlruns").exists(), ( f"./mlruns/ leaked: {sorted(p.name for p in tmp_path.iterdir())}" + ) # 4. A logged run lands under data/mlflow/artifacts//artifacts. with mlflow.start_run(run_name="layout-check") as run: @@ -46,9 +47,7 @@ def test_default_layout_uses_data_mlflow_no_mlruns(tmp_path, monkeypatch): # 5. The marimo-flow experiment was registered (not the Default one). exp = mlflow.get_experiment(run.info.experiment_id) assert exp.name == "marimo-flow" - assert exp.artifact_location.replace("\\", "/").endswith( - "/data/mlflow/artifacts" - ) + assert exp.artifact_location.replace("\\", "/").endswith("/data/mlflow/artifacts") def test_remote_uri_skips_local_layout(tmp_path, monkeypatch): @@ -70,9 +69,7 @@ def test_explicit_local_db_path_also_triggers_layout(tmp_path, monkeypatch): recognised as the local default and gets the layout treatment.""" monkeypatch.chdir(tmp_path) target = (tmp_path / "data" / "mlflow" / "db" / "mlflow.db").resolve() - monkeypatch.setenv( - "MLFLOW_TRACKING_URI", f"sqlite:///{target.as_posix()}" - ) + monkeypatch.setenv("MLFLOW_TRACKING_URI", f"sqlite:///{target.as_posix()}") from marimo_flow.agents.lead import _ensure_tracking_uri diff --git a/tests/agents/test_mcp.py b/tests/agents/test_mcp.py index acb3575..79ae2f9 100644 --- a/tests/agents/test_mcp.py +++ b/tests/agents/test_mcp.py @@ -11,20 +11,21 @@ def test_build_marimo_mcp_uses_default_url(): server = build_marimo_mcp() - assert "127.0.0.1:2718" in server.url + assert "127.0.0.1:2718" in server.client.transport.url def test_build_marimo_mcp_respects_url_override(): server = build_marimo_mcp(url="http://example:9999/mcp/server") - assert "example:9999" in server.url + assert "example:9999" in server.client.transport.url def test_build_mlflow_mcp_uses_stdio_with_tracking_uri(tmp_path): db = tmp_path / "mlruns.db" server = build_mlflow_mcp(tracking_uri=f"sqlite:///{db}") - assert server.command == "mlflow" - assert server.args == ["mcp", "run"] - assert server.env["MLFLOW_TRACKING_URI"] == f"sqlite:///{db}" + transport = server.client.transport + assert transport.command == "mlflow" + assert transport.args == ["mcp", "run"] + assert transport.env["MLFLOW_TRACKING_URI"] == f"sqlite:///{db}" def test_build_mcp_servers_disabled_returns_empty(): diff --git a/tests/agents/test_persistence.py b/tests/agents/test_persistence.py deleted file mode 100644 index 917941f..0000000 --- a/tests/agents/test_persistence.py +++ /dev/null @@ -1,93 +0,0 @@ -"""Tests for MLflowStatePersistence — uses MLflow file:// store in tmp dir.""" - -from __future__ import annotations - -from dataclasses import dataclass -from pathlib import Path - -import mlflow -import pytest -from pydantic_graph import BaseNode, End, Graph, GraphRunContext - -from marimo_flow.agents.persistence import MLflowStatePersistence, _safe_filename -from marimo_flow.agents.state import FlowState - - -@dataclass -class StartNode(BaseNode[FlowState, None, str]): - async def run(self, ctx: GraphRunContext[FlowState, None]) -> End[str]: - ctx.state.user_intent = "test-ran" - return End("done") - - -@pytest.fixture -def tmp_mlflow(): - mlflow.set_experiment("agents-test") - with mlflow.start_run() as run: - yield run.info.run_id - - -@pytest.mark.asyncio -async def test_persistence_records_run_to_mlflow(tmp_mlflow): - graph = Graph(nodes=(StartNode,), state_type=FlowState) - persistence = MLflowStatePersistence(run_id=tmp_mlflow) - persistence.set_graph_types(graph) - state = FlowState() - result = await graph.run(StartNode(), state=state, persistence=persistence) - assert result.output == "done" - snapshots = await persistence.load_all() - assert len(snapshots) >= 1 - - -@pytest.mark.asyncio -async def test_persistence_writes_artifact_files_to_disk(tmp_mlflow): - """Regression test for [Errno 22] on Windows. - - pydantic_graph.nodes.generate_snapshot_id returns - ``'{NodeName}:{uuid4().hex}'``. The colon is reserved on NTFS, so - until commit 79e4251 ``client.log_artifact`` crashed with - ``[Errno 22] Invalid argument`` the moment the lead chat ran on - Windows with a local-filesystem MLflow store. - """ - persistence = MLflowStatePersistence(run_id=tmp_mlflow) - state = FlowState() - node = StartNode() - snap_id = node.get_snapshot_id() - # Sanity: pydantic-graph really does inject a colon — that's the bug - # vector. If pydantic-graph ever changes its ID format, drop this test - # but keep _safe_filename as a defence-in-depth. - assert ":" in snap_id - - # Drives both code paths in _log_state: - # - snapshot_node_if_new → _log_state(f"node-{snap_id}") (colon!) - # - super().snapshot_node → _log_state(f"node-{Class.__name__}") - await persistence.snapshot_node_if_new(snap_id, state, node) - await persistence.snapshot_end(state, End("done")) - - # Resolve the on-disk artifact directory from the active run and - # check what actually got written. - run = mlflow.get_run(tmp_mlflow) - artifact_uri = run.info.artifact_uri - assert artifact_uri.startswith("file:") - artifact_root = Path(artifact_uri[len("file:///") :]) / "agent_state" - files = sorted(p.name for p in artifact_root.iterdir()) - assert files, "no artifacts written" - # Strict: no Windows-reserved char ever leaks onto disk. - for f in files: - assert not any(c in f for c in '<>:"/\\|?*'), f"reserved char in {f}" - # The colon-bearing snap_id must be present in sanitized form. - assert any(snap_id.replace(":", "_") in f for f in files), files - - -def test_safe_filename_strips_windows_reserved_chars(): - # pydantic-graph snapshot IDs use the form ":" - # — the colon is invalid on NTFS and would crash log_artifact on Windows. - snap_id = "TriageNode:88d3940e1ff04924bd719c09550efa8e" - safe = _safe_filename(f"node-{snap_id}") - assert ":" not in safe - assert safe == "node-TriageNode_88d3940e1ff04924bd719c09550efa8e" - # Plain labels stay untouched. - assert _safe_filename("end") == "end" - assert _safe_filename("node-TriageNode") == "node-TriageNode" - # Other reserved chars also get folded. - assert _safe_filename('ac"d|e?f*g/h\\i') == "a_b_c_d_e_f_g_h_i" diff --git a/tests/agents/test_pinn_surrogate.py b/tests/agents/test_pinn_surrogate.py new file mode 100644 index 0000000..baf1980 --- /dev/null +++ b/tests/agents/test_pinn_surrogate.py @@ -0,0 +1,35 @@ +"""Tests for PINN → MPC surrogate adapter.""" + +from __future__ import annotations + +import numpy as np +import torch +from pina.label_tensor import LabelTensor + +from marimo_flow.control.pinn_surrogate import ( + make_pinn_rollout_surrogate, + query_field_mean, +) + + +class _MockSolver(torch.nn.Module): + def __init__(self) -> None: + super().__init__() + + def forward(self, pts: LabelTensor) -> LabelTensor: + u = pts.extract(["u"]).tensor + return LabelTensor(u * 0.5 + 0.1, ["T"]) + + +def test_query_field_mean_reads_pinn_output(): + solver = _MockSolver() + mean = query_field_mean(solver, t=0.1, u=0.8, output_field="T", nx=5) + assert abs(mean - 0.5) < 1e-5 + + +def test_pinn_rollout_surrogate_returns_horizon_shape(): + solver = _MockSolver() + surrogate = make_pinn_rollout_surrogate(solver, dt=0.01, blend=1.0) + traj = surrogate(np.array([0.0]), np.array([[0.2], [0.4], [0.6]])) + assert traj.shape == (3, 1) + assert traj[0, 0] > 0.0 diff --git a/tests/agents/test_runner.py b/tests/agents/test_runner.py new file mode 100644 index 0000000..8c62b41 --- /dev/null +++ b/tests/agents/test_runner.py @@ -0,0 +1,14 @@ +"""Tests for the graph runner helpers.""" + +from __future__ import annotations + +from marimo_flow.agents.runner import _safe_filename + + +def test_safe_filename_strips_windows_reserved_chars(): + # Plain snapshot labels stay untouched. + assert _safe_filename("end") == "end" + assert _safe_filename("node-RouteNode") == "node-RouteNode" + # Reserved chars fold to underscores (defence-in-depth for NTFS). + assert _safe_filename('ac"d|e?f*g/h\\i') == "a_b_c_d_e_f_g_h_i" + assert ":" not in _safe_filename("node-TriageNode:deadbeef") diff --git a/tests/agents/test_servers.py b/tests/agents/test_servers.py index 72c47cc..b43b537 100644 --- a/tests/agents/test_servers.py +++ b/tests/agents/test_servers.py @@ -2,7 +2,6 @@ from __future__ import annotations -import pytest from pydantic_ai.models.test import TestModel from marimo_flow.agents.server.a2a import build_a2a_app, node_skills @@ -15,11 +14,6 @@ def test_a2a_app_is_asgi_callable(monkeypatch): assert callable(app) -@pytest.mark.xfail( - reason="Upstream bug: pydantic-ai 1.84 AGUIApp passes on_startup/on_shutdown " - "to Starlette, which removed those kwargs. 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