// Copyright © 2023-2024 Apple Inc. #include #include #include #include #include #include #include #include #include "mlx/backend/metal/metal_impl.h" #include "mlx/ops.h" #include "mlx/primitives.h" #include "mlx/scheduler.h" #include "mlx/transforms.h" #include "mlx/transforms_impl.h" #include "mlx/utils.h" namespace mlx::core { /* This class is only meant to be used in eval * for synchronizing with the main thread. */ class Synchronizer : public Primitive { public: explicit Synchronizer(Stream stream) : Primitive(stream){}; void eval_cpu(const std::vector&, std::vector&) override {}; void eval_gpu(const std::vector&, std::vector&) override {}; DEFINE_PRINT(Synchronize); }; // Initialize the static tracing counter from transforms_impl.h . // // This is used to implement the in_tracing() function the returns true if we // are currently under a function transformation. int detail::InTracing::tracing_counter{0}; std::shared_future async_eval(std::vector outputs) { static std::shared_future global_synchronizer; // Catch up with previous async eval if needed if (global_synchronizer.valid()) { global_synchronizer.wait(); } std::queue tape; std::unordered_set cache; std::unordered_map> deps; // Make an effort to choose a good output stream Stream stream = default_stream(default_device()); for (auto& o : outputs) { if (!o.is_evaled() && o.has_primitive()) { stream = o.primitive().stream(); break; } } auto synchronizer = array( {}, bool_, std::make_shared(stream), std::move(outputs)); { std::stack, int>> dfs; dfs.emplace(synchronizer, 0); while (!dfs.empty()) { auto& [a_ref, idx] = dfs.top(); auto& a = a_ref.get(); if (idx < a.inputs().size()) { // Add an input, and continue auto& in = a.inputs()[idx++]; if (!in.is_evaled()) { if (!in.has_primitive()) { throw std::invalid_argument( "[eval] Attempting to eval an array without a primitive."); } // If the input is being computed on a different stream, we need to // manage the dependency. if (a.primitive().stream() != in.primitive().stream()) { deps.insert({in.output(0).id(), std::shared_future{}}); } } if (cache.find(in.id()) == cache.end()) { dfs.emplace(in, 0); cache.insert(in.id()); for (auto& s : in.siblings()) { cache.insert(s.id()); } } continue; } // All inputs are done being processed, process this array if (!a.is_evaled() || (!a.is_tracer() && a.has_primitive())) { tape.push(a); } dfs.pop(); } } deps.insert({synchronizer.id(), std::shared_future{}}); std::vector>> ps; while (!tape.empty()) { auto arr = std::move(tape.front()); tape.pop(); if (arr.is_evaled()) { if (!arr.is_tracer() && arr.has_primitive()) { arr.detach(); } continue; } auto stream = arr.primitive().stream(); std::vector> arr_deps; for (auto& in : arr.inputs()) { if (auto it = deps.find(in.output(0).id()); it != deps.end()) { arr_deps.push_back(it->second); } } std::shared_ptr> p; if (auto it = deps.find(arr.output(0).id()); it != deps.end()) { p = std::make_shared>(); ps.push_back(p); it->second = p->get_future().share(); } if (arr.primitive().device() == Device::gpu) { if (!metal::is_available()) { throw std::runtime_error("Metal GPU is not available."); } scheduler::enqueue( stream, metal::make_task(arr, std::move(arr_deps), std::move(p))); } else { auto task = [arr, stream, deps = std::move(arr_deps), p = std::move(p)]() mutable { for (auto& d : deps) { d.wait(); } scheduler::notify_new_task(stream); auto outputs = arr.outputs(); arr.primitive().eval_cpu(arr.inputs(), outputs); if (!arr.is_tracer()) { arr.detach(); } if (p) { p->set_value(); } scheduler::notify_task_completion(stream); }; scheduler::enqueue(stream, std::move(task)); } } global_synchronizer = std::move(deps[synchronizer.id()]); return global_synchronizer; } void eval(std::vector outputs) { async_eval(std::move(outputs)).wait(); } std::pair, std::vector> vjp( const std::function(const std::vector&)>& fun, const std::vector& primals, const std::vector& cotans) { // Set the global tracing flag. detail::InTracing in_tracing; // Make tracers from given primals std::vector primals_; for (auto& p : primals) { auto s = p.has_primitive() ? p.primitive().stream() : default_stream(default_device()); primals_.push_back(copy(p, s)); // Does not do a deep copy primals_.back().set_tracer(true); } // Pass tracer primals through the function // Any variables that depend on the primals are marked as tracers auto outputs = fun(primals_); // Map outputs to passed cotans while ignoring the outputs // that have stop_gradient called on them int cotan_index = 0; std::vector> output_cotan_pairs; for (int i = 0; i < outputs.size(); ++i) { auto& out = outputs[i]; if (out.has_primitive()) { if (auto& p = out.primitive(); typeid(p) == typeid(StopGradient)) { continue; } } if (cotan_index >= cotans.size()) { std::ostringstream msg; msg << "[vjp] Number of outputs to compute gradients for (" << outputs.size() << ") does not match number of cotangents (" << cotans.size() << ")."; throw std::invalid_argument(msg.str()); } if (out.shape() != cotans[cotan_index].shape()) { std::ostringstream msg; msg << "[vjp] Output shape " << out.shape() << " does not match cotangent shape " << cotans[cotan_index].shape() << "."; if (outputs.size() == 1 && out.size() == 1) { msg << " If you are using grad your function must return a scalar."; } throw std::invalid_argument(msg.str()); } output_cotan_pairs.emplace_back(i, cotan_index++); } // Topologically sort the compute graph, add graph nodes // to the tape which need a gradient. std::unordered_set cache; std::unordered_set calc_grad; for (auto& primal : primals_) { primal.set_tracer(false); calc_grad.insert(primal.id()); cache.insert(primal.id()); } std::vector tape; std::function recurse; recurse = [&](auto& a) { // Check if visited and add to cache if not if (auto inserted = cache.insert(a.id()); !inserted.second) { return; } a.set_tracer(false); for (auto s : a.siblings()) { s.set_tracer(false); cache.insert(s.id()); } for (auto& input : a.inputs()) { recurse(input); } // Stop grad if (a.has_primitive()) { if (auto& p = a.primitive(); typeid(p) == typeid(StopGradient)) { return; } } // Calculate gradient if any inputs require gradient for (auto& input : a.inputs()) { if (calc_grad.find(input.id()) != calc_grad.end()) { tape.push_back(a); calc_grad.insert(a.id()); for (auto& s : a.siblings()) { calc_grad.insert(s.id()); } break; } } }; for (auto out : outputs) { recurse(out); } // Run the tape backwards, computing vector-jacobian // products for each primitive std::unordered_map cotan_map; for (auto [out_idx, cotan_idx] : output_cotan_pairs) { auto& o = outputs[out_idx]; auto s = o.has_primitive() ? o.primitive().stream() : default_stream(default_device()); cotan_map.insert({o.id(), astype(cotans[cotan_idx], o.dtype(), s)}); } for (auto it = tape.rbegin(); it != tape.rend(); ++it) { auto& a = *it; // Get the arguments whose gradients are needed std::vector argnums; for (int i = 0; i < a.inputs().size(); ++i) { if (calc_grad.find(a.inputs()[i].id()) != calc_grad.end()) { argnums.push_back(i); } } // Check if any of the array or its siblings have cotangents, // if not, we can skip this primitive auto outputs = a.outputs(); bool has_cotans = std::any_of(outputs.cbegin(), outputs.cend(), [&cotan_map](auto& s) { return cotan_map.find(s.id()) != cotan_map.end(); }); if (!has_cotans) { continue; } auto s = a.primitive().stream(); std::vector cotangents{}; for (auto& o : outputs) { if (auto cotan_it = cotan_map.find(o.id()); cotan_it != cotan_map.end()) { cotangents.push_back(cotan_map.extract(cotan_it).mapped()); } else { cotangents.push_back(zeros_like(o, s)); } } auto vjps = a.primitive().vjp(a.inputs(), cotangents, argnums, outputs); // Accumulate the vector-jacobian products for each input for (int i = 0; i < argnums.size(); ++i) { auto in_id = a.inputs()[argnums[i]].id(); if (auto cotan_it = cotan_map.find(in_id); cotan_it != cotan_map.end()) { cotan_it->second = add(cotan_it->second, vjps[i], s); } else { cotan_map.insert({in_id, vjps[i]}); } } } std::vector vjps; for (auto& primal : primals_) { if (auto cotan_it = cotan_map.find(primal.id()); cotan_it != cotan_map.end()) { vjps.push_back(cotan_it->second); } else { auto s = primal.has_primitive() ? primal.primitive().stream() : default_stream(default_device()); vjps.push_back(zeros_like(primal, s)); } } return {outputs, vjps}; } std::pair vjp( const std::function& fun, const array& primal, const array& cotan) { auto vec_fun = [fun](const std::vector& inputs) { return std::vector{fun(inputs[0])}; }; auto [outputs, vjps] = vjp(vec_fun, {primal}, {cotan}); return {outputs[0], vjps[0]}; } std::pair, std::vector> jvp( const std::function(const std::vector&)>& fun, const std::vector& primals, const std::vector& tangents) { // Set the global tracing flag. detail::InTracing in_tracing; if (primals.size() != tangents.size()) { throw std::invalid_argument( "[jvp] Number of inputs does not match number of tangents."); } for (int i = 0; i < primals.size(); ++i) { if (primals[i].shape() != tangents[i].shape()) { throw std::invalid_argument( "[jvp] Input shape does not match shape of tangent."); } } std::vector primals_; for (auto& p : primals) { auto s = p.has_primitive() ? p.primitive().stream() : default_stream(default_device()); primals_.push_back(copy(p, s)); // Does not do a deep copy primals_.back().set_tracer(true); } auto outputs = fun(primals_); // Topologically sort the compute graph, record outputs // in the tape if a gradient is needed. std::unordered_set cache; std::unordered_set calc_grad; for (auto& primal : primals_) { primal.set_tracer(false); calc_grad.insert(primal.id()); cache.insert(primal.id()); } std::vector tape; std::function recurse; recurse = [&](auto& a) { // Check if visited and add to cache if not if (auto inserted = cache.insert(a.id()); !inserted.second) { return; } a.set_tracer(false); for (auto s : a.siblings()) { s.set_tracer(false); cache.insert(s.id()); } for (auto input : a.inputs()) { recurse(input); } // Stop grad if (a.has_primitive()) { if (auto& p = a.primitive(); typeid(p) == typeid(StopGradient)) { return; } } // Calculate gradient if any inputs require gradient for (auto& input : a.inputs()) { if (calc_grad.find(input.id()) != calc_grad.end()) { tape.push_back(a); calc_grad.insert(a.id()); for (auto& s : a.siblings()) { calc_grad.insert(s.id()); } break; } } }; for (auto out : outputs) { recurse(out); } std::unordered_map tan_map; for (int i = 0; i < primals_.size(); ++i) { tan_map.insert({primals_[i].id(), tangents[i]}); } for (auto& a : tape) { // Get the arguments used in the jvp std::vector argnums; std::vector tangents; for (int i = 0; i < a.inputs().size(); ++i) { if (auto it = tan_map.find(a.inputs()[i].id()); it != tan_map.end()) { argnums.push_back(i); tangents.push_back(it->second); } } auto jvps = a.primitive().jvp(a.inputs(), tangents, argnums); auto outputs = a.outputs(); for (int i = 0; i < jvps.size(); ++i) { tan_map.insert({outputs[i].id(), jvps[i]}); } } std::vector jvps; for (auto& out : outputs) { if (auto it = tan_map.find(out.id()); it != tan_map.end()) { jvps.push_back(it->second); } else { auto s = out.has_primitive() ? out.primitive().stream() : default_stream(default_device()); jvps.push_back(zeros_like(out, s)); } } return {outputs, jvps}; } std::pair jvp( const std::function& fun, const array& primal, const array& tangent) { auto vec_fun = [fun](const std::vector& inputs) { return std::vector{fun(inputs[0])}; }; auto [outputs, jvps] = jvp(vec_fun, {primal}, {tangent}); return {outputs[0], jvps[0]}; } ValueAndGradFn value_and_grad( const std::function(const std::vector&)>& fun, const std::vector& argnums) { if (argnums.empty()) { throw std::invalid_argument("[grad] Must specify at least one argument."); } return [fun, argnums](const std::vector& inputs) { std::set args; for (auto& arg : argnums) { args.insert(arg < 0 ? arg + inputs.size() : arg); } if (args.size() != argnums.size()) { throw std::invalid_argument( "[grad] Repeat argument number not allowed in grad."); } if (*args.begin() < 0 || *args.rbegin() >= inputs.size()) { std::ostringstream msg; msg << "[grad] Invalid argument number for function with " << inputs.size() << " inputs."; throw std::invalid_argument(msg.str()); } auto gfun = [&fun, &inputs, &args](const std::vector& ginputs) { std::vector inputs_(inputs); auto argit = args.begin(); for (int i = 0; i < ginputs.size(); ++i) { inputs_[*argit] = ginputs[i]; ++argit; } auto outputs = fun(inputs_); for (int i = 1; i < outputs.size(); i++) { auto& out = outputs[i]; auto s = out.has_primitive() ? out.primitive().stream() : default_stream(default_device()); outputs[i] = stop_gradient(out, s); } return outputs; }; std::vector ginputs; for (auto arg : args) { ginputs.push_back(inputs[arg]); } // Set the incoming gradient to int32, vjp will cast it to the output type auto [outputs, grads] = vjp(gfun, ginputs, {array(1.0f)}); return std::make_pair(outputs, grads); }; } namespace detail { std::pair, std::vector> vmap_trace( const std::function(const std::vector&)>& fun, const std::vector& inputs, const std::vector& in_axes) { // Set the global tracing flag. detail::InTracing in_tracing; if (in_axes.size() != inputs.size()) { throw std::invalid_argument( "[vmap] The number of in axes must match the number of inputs."); } // Some error checking and get the vmap axis size size_t vmap_ax_size; for (int i = 0; i < inputs.size(); ++i) { if (in_axes[i] != -1) { if (inputs[i].ndim() == 0) { throw std::invalid_argument( "[vmap] Cannot vmap an input with zero dimensions."); } if (in_axes[i] > inputs[i].ndim()) { std::ostringstream msg; msg << "[vmap] Axis " << in_axes[i] << " invalid for input with " << inputs[i].ndim() << " dimensions."; throw std::invalid_argument(msg.str()); } vmap_ax_size = inputs[i].shape(in_axes[i]); } } // Check that all vmapped axes have the same size for (int i = 0; i < inputs.size(); ++i) { if (in_axes[i] != -1) { if (size_t in_ax = inputs[i].shape(in_axes[i]); vmap_ax_size != in_ax) { std::ostringstream msg; msg << "[vmap] Inconsistent axis sizes: " << in_ax << " and " << vmap_ax_size << "."; throw std::invalid_argument(msg.str()); } } } // Run the function on placeholder inputs // to get the original graph std::vector s_inputs; for (int i = 0; i < inputs.size(); ++i) { if (in_axes[i] != -1) { std::vector shape = inputs[i].shape(); shape.erase(shape.begin() + in_axes[i]); array in(shape, inputs[i].dtype(), nullptr, {}); s_inputs.push_back(in); s_inputs.back().set_tracer(true); } else { s_inputs.push_back(inputs[i]); } } return {s_inputs, fun(s_inputs)}; } std::vector vmap_replace( const std::vector& inputs, const std::vector& s_inputs, const std::vector& s_outputs, const std::vector& in_axes, const std::vector& out_axes) { if (out_axes.size() != s_outputs.size()) { throw std::invalid_argument( "[vmap] The number of out axes must match the number of outputs."); } std::unordered_map> tmap; std::unordered_set needs_vmap; std::unordered_set cache; for (int i = 0; i < s_inputs.size(); ++i) { auto in = s_inputs[i]; if (in_axes[i] != -1) { tmap.insert({in.id(), {inputs[i], in_axes[i]}}); needs_vmap.insert(in.id()); in.set_tracer(false); } cache.insert(in.id()); } // Topologically sort the graph std::vector tape; std::function recurse; recurse = [&](const array& a) { auto id = a.id(); if (cache.find(id) != cache.end()) { return; } cache.insert(id); for (auto& s : a.siblings()) { cache.insert(s.id()); } // Recurse on inputs for (auto& input : a.inputs()) { recurse(input); } // If any input needs a vmap, then the outputs also need // a vmap for (auto& input : a.inputs()) { if (needs_vmap.find(input.id()) != needs_vmap.end()) { tape.push_back(a); tape.back().set_tracer(false); needs_vmap.insert(a.id()); for (auto s : a.siblings()) { needs_vmap.insert(s.id()); s.set_tracer(false); } break; } } }; for (auto& out : s_outputs) { if (out.has_primitive()) { recurse(out); } } // Transform each primitive in the graph with // its vmap implementation for (auto& a : tape) { std::vector v_inputs; std::vector v_axes; for (auto& in : a.inputs()) { auto map_it = tmap.find(in.id()); if (map_it != tmap.end()) { v_inputs.push_back(map_it->second.first); v_axes.push_back(map_it->second.second); } else { v_inputs.push_back(in); v_axes.push_back(-1); } } auto [v_outputs, v_out_axes] = a.primitive().vmap(v_inputs, v_axes); // For each primitive's outputs add its id, the vout id and the vax auto outputs = a.outputs(); for (int i = 0; i < v_outputs.size(); ++i) { tmap.insert({outputs[i].id(), {v_outputs[i], v_out_axes[i]}}); } } // Populate the outputs and make sure all the output axes are // in the right place std::vector outputs; for (int i = 0; i < s_outputs.size(); ++i) { if (auto map_it = tmap.find(s_outputs[i].id()); map_it != tmap.end()) { auto& [out, vdim] = map_it->second; if (vdim != out_axes[i]) { if (out_axes[i] >= out.ndim()) { std::ostringstream msg; msg << "[vmap] Axis " << out_axes[i] << " invalid for output with " << out.ndim() << " dimensions."; throw std::invalid_argument(msg.str()); } out = moveaxis(out, vdim, out_axes[i]); } outputs.push_back(out); } else { outputs.push_back(s_outputs[i]); } } return outputs; } } // namespace detail std::function(const std::vector&)> vmap( const std::function(const std::vector&)>& fun, const std::vector& in_axes /* = {} */, const std::vector& out_axes /* = {} */) { auto infer_axes = [](auto axes) { return !axes.empty() && std::all_of(axes.begin(), axes.end(), [](int ax) { return ax < 0; }); }; if (infer_axes(in_axes) != infer_axes(out_axes)) { throw std::invalid_argument( "[vmap] Input (or output) axes must be " "specified if output (or input) axes are."); } auto vfun = [fun, in_axes = in_axes, out_axes = out_axes]( const std::vector& inputs) mutable { if (in_axes.size() == 0) { in_axes.resize(inputs.size(), 0); } auto [trace_inputs, trace_outputs] = detail::vmap_trace(fun, inputs, in_axes); if (out_axes.size() == 0) { out_axes.resize(trace_outputs.size(), 0); } return detail::vmap_replace( inputs, trace_inputs, trace_outputs, in_axes, out_axes); }; return vfun; } std::function vmap( const std::function& fun, int in_axis_a /* = 0 */, int in_axis_b /* = 0 */, int out_axis /* = 0 */) { auto vfun = vmap( [in_axis_a, in_axis_b, out_axis, fun](const std::vector& inputs) { return std::vector{fun(inputs[0], inputs[1])}; }, {in_axis_a, in_axis_b}, {out_axis}); return [vfun](const array& a, const array& b) { return vfun({a, b})[0]; }; } std::function vmap( const std::function& fun, int in_axis /* = 0 */, int out_axis /* = 0 */) { auto vfun = vmap( [in_axis, out_axis, fun](const std::vector& inputs) { return std::vector{fun(inputs[0])}; }, {in_axis}, {out_axis}); return [vfun](const array& a) { return vfun({a})[0]; }; } std::function(const std::vector&)> custom_vjp( std::function(const std::vector&)> fun, std::function( const std::vector&, const std::vector&, const std::vector&)> fun_vjp) { return [fun = std::move(fun), fun_vjp = std::move(fun_vjp)](const std::vector& args) { // Compute the outputs auto outputs = fun(args); for (auto& out : outputs) { out = stop_gradient(out); } // Prepare the inputs to the primitive // We also add the outputs to the primitive so that it can "run" the forward // pass. std::vector inputs = args; inputs.insert(inputs.end(), outputs.begin(), outputs.end()); // Compute the stream. Maybe do it in a smarter way at some point in the // future. Stream s = (outputs[0].has_primitive()) ? outputs[0].primitive().stream() : default_stream(default_device()); // Make the output info std::vector> shapes; std::vector dtypes; for (const auto& out : outputs) { shapes.emplace_back(out.shape()); dtypes.emplace_back(out.dtype()); } return array::make_arrays( std::move(shapes), dtypes, std::make_shared(to_stream(s), fun_vjp), inputs); }; } std::function(const std::vector&)> checkpoint( std::function(const std::vector&)> fun) { auto vjp_fun = [fun]( const std::vector& primals, const std::vector& cotangents, const std::vector& outputs) -> std::vector { auto [__, vjps] = vjp(fun, depends(primals, outputs), cotangents); return vjps; }; return custom_vjp(fun, vjp_fun); } } // namespace mlx::core