code
stringlengths
17
6.64M
class TestNorms(unittest.TestCase): def test_norm(self): def f(t, x): return x t = torch.tensor([0.0, 1.0]) is_called = False def norm(state): nonlocal is_called is_called = True self.assertIsInstance(state, torch.Tensor) self.assertEqual(state.shape, ()) return state.pow(2).mean().sqrt() x0 = torch.tensor(1.0) torchdiffeq.odeint(f, x0, t, options=dict(norm=norm)) self.assertTrue(is_called) is_called = False def norm(state): nonlocal is_called is_called = True self.assertIsInstance(state, tuple) self.assertEqual(len(state), 1) (state,) = state self.assertEqual(state.shape, ()) return state.pow(2).mean().sqrt() x0 = (torch.tensor(1.0),) torchdiffeq.odeint(f, x0, t, options=dict(norm=norm)) self.assertTrue(is_called) is_called = False def norm(state): nonlocal is_called is_called = True self.assertIsInstance(state, tuple) self.assertEqual(len(state), 2) (state1, state2) = state self.assertEqual(state1.shape, ()) self.assertEqual(state2.shape, (2, 2)) return state1.pow(2).mean().sqrt() x0 = (torch.tensor(1.0), torch.tensor([[0.5, 0.5], [0.1, 0.1]])) torchdiffeq.odeint(f, x0, t, options=dict(norm=norm)) self.assertTrue(is_called) def test_adjoint_norm(self): def f(t, x): return x t = torch.tensor([0.0, 1.0]) adjoint_params = (torch.rand(7, requires_grad=True), torch.rand((), requires_grad=True)) def make_spy_on_adjoint_norm(adjoint_norm, actual_norm): is_spy_called = [False] def spy_on_adjoint_norm(tensor): nonlocal is_spy_called is_spy_called[0] = True norm_result = adjoint_norm(tensor) true_norm_result = actual_norm(tensor) self.assertIsInstance(norm_result, torch.Tensor) self.assertEqual(norm_result.shape, true_norm_result.shape) self.assertLess((norm_result - true_norm_result).abs().max(), 1e-06) return norm_result return (spy_on_adjoint_norm, is_spy_called) for shape in ((), (1,), (2, 2)): for (use_adjoint_options, seminorm) in ((False, False), (True, False), (True, True)): with self.subTest(shape=shape, use_adjoint_options=use_adjoint_options, seminorm=seminorm): x0 = torch.full(shape, 1.0) if use_adjoint_options: if seminorm: kwargs = dict(adjoint_options=dict(norm='seminorm')) else: kwargs = dict(adjoint_options={}) else: kwargs = {} xs = torchdiffeq.odeint_adjoint(f, x0, t, adjoint_params=adjoint_params, **kwargs) _adjoint_norm = xs.grad_fn.adjoint_options['norm'] is_called = False def actual_norm(tensor_tuple): nonlocal is_called is_called = True self.assertIsInstance(tensor_tuple, tuple) (t, y, adj_y, adj_param1, adj_param2) = tensor_tuple self.assertEqual(t.shape, ()) self.assertEqual(y.shape, shape) self.assertEqual(adj_y.shape, shape) self.assertEqual(adj_param1.shape, (7,)) self.assertEqual(adj_param2.shape, ()) out = max(t.abs(), y.pow(2).mean().sqrt(), adj_y.pow(2).mean().sqrt()) if (not seminorm): out = max(out, adj_param1.pow(2).mean().sqrt(), adj_param2.abs()) return out (xs.grad_fn.adjoint_options['norm'], is_spy_called) = make_spy_on_adjoint_norm(_adjoint_norm, actual_norm) xs.sum().backward() self.assertTrue(is_called) self.assertTrue(is_spy_called[0]) for (use_adjoint_options, seminorm) in ((False, False), (True, False), (True, True)): with self.subTest(shape=shape, use_adjoint_options=use_adjoint_options, seminorm=seminorm): x0 = (torch.tensor(1.0), torch.tensor([[0.5, 0.5], [0.1, 0.1]])) if use_adjoint_options: if seminorm: kwargs = dict(adjoint_options=dict(norm='seminorm')) else: kwargs = dict(adjoint_options={}) else: kwargs = {} xs = torchdiffeq.odeint_adjoint(f, x0, t, adjoint_params=adjoint_params, **kwargs) adjoint_options_dict = xs[0].grad_fn.next_functions[0][0].next_functions[0][0].adjoint_options _adjoint_norm = adjoint_options_dict['norm'] is_called = False def actual_norm(tensor_tuple): nonlocal is_called is_called = True self.assertIsInstance(tensor_tuple, tuple) (t, y, adj_y, adj_param1, adj_param2) = tensor_tuple self.assertEqual(t.shape, ()) self.assertEqual(y.shape, (5,)) self.assertEqual(adj_y.shape, (5,)) self.assertEqual(adj_param1.shape, (7,)) self.assertEqual(adj_param2.shape, ()) ya = y[0] yb = y[1:] adj_ya = adj_y[0] adj_yb = adj_y[1:4] out = max(t.abs(), ya.abs(), yb.pow(2).mean().sqrt(), adj_ya.abs(), adj_yb.pow(2).mean().sqrt()) if (not seminorm): out = max(out, adj_param1.pow(2).mean().sqrt(), adj_param2.abs()) return out (spy_on_adjoint_norm, is_spy_called) = make_spy_on_adjoint_norm(_adjoint_norm, actual_norm) adjoint_options_dict['norm'] = spy_on_adjoint_norm xs[0].sum().backward() self.assertTrue(is_called) self.assertTrue(is_spy_called[0]) is_called = False def adjoint_norm(tensor_tuple): nonlocal is_called is_called = True self.assertIsInstance(tensor_tuple, tuple) (t, y, adj_y, adj_param1, adj_param2) = tensor_tuple self.assertEqual(t.shape, ()) self.assertEqual(y.shape, ()) self.assertEqual(adj_y.shape, ()) self.assertEqual(adj_param1.shape, (7,)) self.assertEqual(adj_param2.shape, ()) return max(t.abs(), y.pow(2).mean().sqrt(), adj_y.pow(2).mean().sqrt(), adj_param1.pow(2).mean().sqrt(), adj_param2.abs()) x0 = torch.tensor(1.0) xs = torchdiffeq.odeint_adjoint(f, x0, t, adjoint_params=adjoint_params, adjoint_options=dict(norm=adjoint_norm)) xs.sum().backward() self.assertTrue(is_called) is_called = False def adjoint_norm(tensor_tuple): nonlocal is_called is_called = True self.assertIsInstance(tensor_tuple, tuple) (t, ya, yb, adj_ya, adj_yb, adj_param1, adj_param2) = tensor_tuple self.assertEqual(t.shape, ()) self.assertEqual(ya.shape, ()) self.assertEqual(yb.shape, (2, 2)) self.assertEqual(adj_ya.shape, ()) self.assertEqual(adj_yb.shape, (2, 2)) self.assertEqual(adj_param1.shape, (7,)) self.assertEqual(adj_param2.shape, ()) return max(t.abs(), ya.abs(), yb.pow(2).mean().sqrt(), adj_ya.abs(), adj_yb.pow(2).mean().sqrt(), adj_param1.pow(2).mean().sqrt(), adj_param2.abs()) x0 = (torch.tensor(1.0), torch.tensor([[0.5, 0.5], [0.1, 0.1]])) xs = torchdiffeq.odeint_adjoint(f, x0, t, adjoint_params=adjoint_params, adjoint_options=dict(norm=adjoint_norm)) xs[0].sum().backward() self.assertTrue(is_called) def test_large_norm(self): def norm(tensor): return tensor.abs().max() def large_norm(tensor): return (10 * tensor.abs().max()) for dtype in DTYPES: for device in DEVICES: for method in ADAPTIVE_METHODS: if ((dtype == torch.float32) and (method == 'dopri8')): continue with self.subTest(dtype=dtype, device=device, method=method): x0 = torch.tensor([1.0, 2.0], device=device, dtype=dtype) t = torch.tensor([0.0, 1.0], device=device, dtype=torch.float64) norm_f = _NeuralF(width=10, oscillate=True).to(device, dtype) torchdiffeq.odeint(norm_f, x0, t, method=method, options=dict(norm=norm)) large_norm_f = _NeuralF(width=10, oscillate=True).to(device, dtype) with torch.no_grad(): for (norm_param, large_norm_param) in zip(norm_f.parameters(), large_norm_f.parameters()): large_norm_param.copy_(norm_param) torchdiffeq.odeint(large_norm_f, x0, t, method=method, options=dict(norm=large_norm)) self.assertLessEqual(norm_f.nfe, large_norm_f.nfe) def test_seminorm(self): for dtype in DTYPES: for device in DEVICES: for method in ADAPTIVE_METHODS: with self.subTest(dtype=dtype, device=device, method=method): if (dtype == torch.float64): tol = 1e-08 else: tol = 1e-06 x0 = torch.tensor([1.0, 2.0], device=device, dtype=dtype) t = torch.tensor([0.0, 1.0], device=device, dtype=torch.float64) ode_f = _NeuralF(width=1024, oscillate=True).to(device, dtype) out = torchdiffeq.odeint_adjoint(ode_f, x0, t, atol=tol, rtol=tol, method=method) ode_f.nfe = 0 out.sum().backward() default_nfe = ode_f.nfe out = torchdiffeq.odeint_adjoint(ode_f, x0, t, atol=tol, rtol=tol, method=method, adjoint_options=dict(norm='seminorm')) ode_f.nfe = 0 out.sum().backward() seminorm_nfe = ode_f.nfe self.assertLessEqual(seminorm_nfe, default_nfe)
def rel_error(true, estimate): return ((true - estimate) / true).abs().max()
class TestSolverError(unittest.TestCase): def test_odeint(self): for reverse in (False, True): for dtype in DTYPES: for device in DEVICES: for method in METHODS: if ((method in SCIPY_METHODS) and (dtype == torch.complex64)): continue kwargs = dict() if ((method == 'dopri8') and (dtype == torch.float64)): kwargs = dict(rtol=1e-12, atol=1e-14) if ((method == 'dopri8') and (dtype == torch.float32)): kwargs = dict(rtol=1e-07, atol=1e-07) problems = (PROBLEMS if (method in ADAPTIVE_METHODS) else ('constant',)) for ode in problems: if (method in ['adaptive_heun', 'bosh3']): eps = 0.004 elif (ode == 'linear'): eps = 0.002 else: eps = 0.0003 with self.subTest(reverse=reverse, dtype=dtype, device=device, ode=ode, method=method): (f, y0, t_points, sol) = construct_problem(dtype=dtype, device=device, ode=ode, reverse=reverse) y = torchdiffeq.odeint(f, y0, t_points, method=method, **kwargs) self.assertLess(rel_error(sol, y), eps) def test_adjoint(self): for reverse in (False, True): for dtype in DTYPES: for device in DEVICES: for ode in PROBLEMS: if (ode == 'linear'): eps = 0.002 else: eps = 0.0001 with self.subTest(reverse=reverse, dtype=dtype, device=device, ode=ode): (f, y0, t_points, sol) = construct_problem(dtype=dtype, device=device, ode=ode, reverse=reverse) y = torchdiffeq.odeint_adjoint(f, y0, t_points) self.assertLess(rel_error(sol, y), eps)
class TestScipySolvers(unittest.TestCase): def test_odeint(self): for reverse in (False, True): for dtype in DTYPES: for device in DEVICES: for solver in ['RK45', 'RK23', 'DOP853', 'Radau', 'BDF', 'LSODA']: for ode in PROBLEMS: eps = 0.001 with self.subTest(reverse=reverse, dtype=dtype, device=device, ode=ode, solver=solver): (f, y0, t_points, sol) = construct_problem(dtype=dtype, device=device, ode=ode, reverse=reverse) if (torch.is_complex(y0) and (solver in ['Radau', 'LSODA'])): continue y = torchdiffeq.odeint(f, y0, t_points, method='scipy_solver', options={'solver': solver}) self.assertTrue((sol.shape == y.shape)) self.assertLess(rel_error(sol, y), eps)
class TestNoIntegration(unittest.TestCase): def test_odeint(self): for reverse in (False, True): for dtype in DTYPES: for device in DEVICES: for method in METHODS: for ode in PROBLEMS: with self.subTest(reverse=reverse, dtype=dtype, device=device, ode=ode, method=method): (f, y0, t_points, sol) = construct_problem(dtype=dtype, device=device, ode=ode, reverse=reverse) y = torchdiffeq.odeint(f, y0, t_points[0:1], method=method) self.assertLess((sol[0] - y).abs().max(), 1e-12)
class _JumpF(): def __init__(self): self.nfe = 0 def __call__(self, t, x): self.nfe += 1 if (t < 0.5): return ((- 0.5) * x) else: return (x ** 2)
class TestDiscontinuities(unittest.TestCase): def test_odeint_jump_t(self): for adjoint in (False, True): for dtype in DTYPES: for device in DEVICES: for method in ADAPTIVE_METHODS: with self.subTest(adjoint=adjoint, dtype=dtype, device=device, method=method): if (method == 'dopri8'): continue x0 = torch.tensor([1.0, 2.0], device=device, dtype=dtype, requires_grad=True) t = torch.tensor([0.0, 1.0], device=device) simple_f = _JumpF() odeint = (partial(torchdiffeq.odeint_adjoint, adjoint_params=()) if adjoint else torchdiffeq.odeint) simple_xs = odeint(simple_f, x0, t, atol=1e-06, method=method) better_f = _JumpF() options = dict(jump_t=torch.tensor([0.5], device=device)) with warnings.catch_warnings(): better_xs = odeint(better_f, x0, t, rtol=1e-06, atol=1e-06, method=method, options=options) self.assertLess(better_f.nfe, simple_f.nfe) if adjoint: simple_f.nfe = 0 better_f.nfe = 0 with warnings.catch_warnings(): simple_xs.sum().backward() better_xs.sum().backward() self.assertLess(better_f.nfe, simple_f.nfe) def test_odeint_perturb(self): for adjoint in (False, True): for dtype in DTYPES: for device in DEVICES: for method in FIXED_METHODS: for perturb in (True, False): with self.subTest(adjoint=adjoint, dtype=dtype, device=device, method=method, perturb=perturb): x0 = torch.tensor([1.0, 2.0], device=device, dtype=dtype, requires_grad=True) t = torch.tensor([0.0, 1.0], device=device) ts = [] def f(t, x): ts.append(t.item()) return (- x) options = dict(step_size=0.5, perturb=perturb) with warnings.catch_warnings(): odeint = (partial(torchdiffeq.odeint_adjoint, adjoint_params=()) if adjoint else torchdiffeq.odeint) xs = odeint(f, x0, t, method=method, options=options) if perturb: self.assertNotIn(0.0, ts) self.assertNotIn(0.5, ts) else: self.assertIn(0.0, ts) self.assertIn(0.5, ts) if adjoint: ts.clear() with warnings.catch_warnings(): xs.sum().backward() if perturb: self.assertNotIn(1.0, ts) self.assertNotIn(0.5, ts) else: self.assertIn(1.0, ts) self.assertIn(0.5, ts)
class TestGridConstructor(unittest.TestCase): def test_grid_constructor(self): def f(t, x): return x for adjoint in (False, True): with self.subTest(adjoint=adjoint): x0 = torch.tensor(1.0, requires_grad=True) t = torch.tensor([0.0, 1.0]) first = True def grid_constructor(f, y0, t): nonlocal first self.assertEqual(t.shape, (2,)) if first: first = False self.assertEqual(t[0], 0.0) self.assertEqual(t[1], 1.0) return torch.linspace(0, 1, 11) else: self.assertEqual(t[0], 1.0) self.assertEqual(t[1], 0.0) return torch.linspace(1, 0, 11) odeint = (torchdiffeq.odeint_adjoint if adjoint else torchdiffeq.odeint) kwargs = ({'adjoint_params': ()} if adjoint else {}) xs = odeint(f, x0, t, method='euler', options=dict(grid_constructor=grid_constructor), **kwargs) x1 = xs[1] true_x1 = (x0 * (1.1 ** 10)) self.assertLess((x1 - true_x1).abs().max(), 1e-06) if adjoint: x1.backward() true_x0_grad = (1.1 ** 10) self.assertLess((x0.grad - true_x0_grad).abs().max(), 1e-06)
class TestMinMaxStep(unittest.TestCase): def test_min_max_step(self): with warnings.catch_warnings(): warnings.simplefilter('ignore') for device in DEVICES: for min_step in (0, 2): for max_step in (float('inf'), 5): for (method, options) in [('dopri5', {}), ('scipy_solver', {'solver': 'LSODA'})]: options['min_step'] = min_step options['max_step'] = max_step (f, y0, t_points, sol) = construct_problem(device=device, ode='linear') torchdiffeq.odeint(f, y0, t_points, method=method, options=options) if (min_step > 0): self.assertLess(f.nfe, 50) else: self.assertGreater(f.nfe, 100)
class _NeuralF(torch.nn.Module): def __init__(self, width, oscillate): super(_NeuralF, self).__init__() self.linears = torch.nn.Sequential(torch.nn.Linear(2, width), torch.nn.Tanh(), torch.nn.Linear(width, 2), torch.nn.Tanh()) self.nfe = 0 self.oscillate = oscillate def forward(self, t, x): self.nfe += 1 out = self.linears(x) if self.oscillate: out = (out * t.mul(20).sin()) return out
class TestCallbacks(unittest.TestCase): def test_wrong_callback(self): x0 = torch.tensor([1.0, 2.0]) t = torch.tensor([0.0, 1.0]) for method in FIXED_METHODS: for callback_name in ('callback_accept_step', 'callback_reject_step'): with self.subTest(method=method): f = _NeuralF(width=10, oscillate=False) setattr(f, callback_name, (lambda t0, y0, dt: None)) with self.assertWarns(Warning): torchdiffeq.odeint(f, x0, t, method=method) for method in SCIPY_METHODS: for callback_name in ('callback_step', 'callback_accept_step', 'callback_reject_step'): with self.subTest(method=method): f = _NeuralF(width=10, oscillate=False) setattr(f, callback_name, (lambda t0, y0, dt: None)) with self.assertWarns(Warning): torchdiffeq.odeint(f, x0, t, method=method) def test_steps(self): for (forward, adjoint) in ((False, True), (True, False), (True, True)): for method in (FIXED_METHODS + ADAPTIVE_METHODS): if (method == 'dopri8'): continue with self.subTest(forward=forward, adjoint=adjoint, method=method): f = _NeuralF(width=10, oscillate=False) if forward: forward_counter = 0 forward_accept_counter = 0 forward_reject_counter = 0 def callback_step(t0, y0, dt): nonlocal forward_counter forward_counter += 1 def callback_accept_step(t0, y0, dt): nonlocal forward_accept_counter forward_accept_counter += 1 def callback_reject_step(t0, y0, dt): nonlocal forward_reject_counter forward_reject_counter += 1 f.callback_step = callback_step if (method in ADAPTIVE_METHODS): f.callback_accept_step = callback_accept_step f.callback_reject_step = callback_reject_step if adjoint: adjoint_counter = 0 adjoint_accept_counter = 0 adjoint_reject_counter = 0 def callback_step_adjoint(t0, y0, dt): nonlocal adjoint_counter adjoint_counter += 1 def callback_accept_step_adjoint(t0, y0, dt): nonlocal adjoint_accept_counter adjoint_accept_counter += 1 def callback_reject_step_adjoint(t0, y0, dt): nonlocal adjoint_reject_counter adjoint_reject_counter += 1 f.callback_step_adjoint = callback_step_adjoint if (method in ADAPTIVE_METHODS): f.callback_accept_step_adjoint = callback_accept_step_adjoint f.callback_reject_step_adjoint = callback_reject_step_adjoint x0 = torch.tensor([1.0, 2.0]) t = torch.tensor([0.0, 1.0]) if (method in FIXED_METHODS): kwargs = dict(options=dict(step_size=0.1)) elif (method == 'implicit_adams'): kwargs = dict(rtol=0.001, atol=0.0001) else: kwargs = {} xs = torchdiffeq.odeint_adjoint(f, x0, t, method=method, **kwargs) if forward: if (method in FIXED_METHODS): self.assertEqual(forward_counter, 10) if (method in ADAPTIVE_METHODS): self.assertGreater(forward_counter, 0) self.assertEqual((forward_accept_counter + forward_reject_counter), forward_counter) if adjoint: xs.sum().backward() if (method in FIXED_METHODS): self.assertEqual(adjoint_counter, 10) if (method in ADAPTIVE_METHODS): self.assertGreater(adjoint_counter, 0) self.assertEqual((adjoint_accept_counter + adjoint_reject_counter), adjoint_counter)
class ConstantODE(torch.nn.Module): def __init__(self): super(ConstantODE, self).__init__() self.a = torch.nn.Parameter(torch.tensor(0.2)) self.b = torch.nn.Parameter(torch.tensor(3.0)) def forward(self, t, y): return (self.a + ((y - ((self.a * t) + self.b)) ** 5)) def y_exact(self, t): return ((self.a * t) + self.b)
class SineODE(torch.nn.Module): def forward(self, t, y): return (((((2 * y) / t) + ((t ** 4) * torch.sin((2 * t)))) - (t ** 2)) + (4 * (t ** 3))) def y_exact(self, t): return ((((((((- 0.5) * (t ** 4)) * torch.cos((2 * t))) + ((0.5 * (t ** 3)) * torch.sin((2 * t)))) + ((0.25 * (t ** 2)) * torch.cos((2 * t)))) - (t ** 3)) + (2 * (t ** 4))) + ((math.pi - 0.25) * (t ** 2)))
class LinearODE(torch.nn.Module): def __init__(self, dim=10): super(LinearODE, self).__init__() torch.manual_seed(0) self.dim = dim U = (torch.randn(dim, dim) * 0.1) A = ((2 * U) - (U + U.transpose(0, 1))) self.A = torch.nn.Parameter(A) self.initial_val = np.ones((dim, 1)) self.nfe = 0 def forward(self, t, y): self.nfe += 1 return torch.mm(self.A, y.reshape(self.dim, 1)).reshape((- 1)) def y_exact(self, t): t_numpy = t.detach().cpu().numpy() A_np = self.A.detach().cpu().numpy() ans = [] for t_i in t_numpy: ans.append(np.matmul(scipy.linalg.expm((A_np * t_i)), self.initial_val)) return torch.stack([torch.tensor(ans_) for ans_ in ans]).reshape(len(t_numpy), self.dim).to(t)
def construct_problem(device, npts=10, ode='constant', reverse=False, dtype=torch.float64): f = PROBLEMS[ode]().to(dtype=dtype, device=device) t_points = torch.linspace(1, 8, npts, dtype=torch.float64, device=device, requires_grad=True) sol = f.y_exact(t_points).to(dtype) def _flip(x, dim): indices = ([slice(None)] * x.dim()) indices[dim] = torch.arange((x.size(dim) - 1), (- 1), (- 1), dtype=torch.long, device=device) return x[tuple(indices)] if reverse: t_points = _flip(t_points, 0).clone().detach() sol = _flip(sol, 0).clone().detach() return (f, sol[0].detach().requires_grad_(True), t_points, sol)
class AdaptiveHeunSolver(RKAdaptiveStepsizeODESolver): order = 2 tableau = _ADAPTIVE_HEUN_TABLEAU mid = _AH_C_MID
class OdeintAdjointMethod(torch.autograd.Function): @staticmethod def forward(ctx, shapes, func, y0, t, rtol, atol, method, options, event_fn, adjoint_rtol, adjoint_atol, adjoint_method, adjoint_options, t_requires_grad, *adjoint_params): ctx.shapes = shapes ctx.func = func ctx.adjoint_rtol = adjoint_rtol ctx.adjoint_atol = adjoint_atol ctx.adjoint_method = adjoint_method ctx.adjoint_options = adjoint_options ctx.t_requires_grad = t_requires_grad ctx.event_mode = (event_fn is not None) with torch.no_grad(): ans = odeint(func, y0, t, rtol=rtol, atol=atol, method=method, options=options, event_fn=event_fn) if (event_fn is None): y = ans ctx.save_for_backward(t, y, *adjoint_params) else: (event_t, y) = ans ctx.save_for_backward(t, y, event_t, *adjoint_params) return ans @staticmethod def backward(ctx, *grad_y): with torch.no_grad(): func = ctx.func adjoint_rtol = ctx.adjoint_rtol adjoint_atol = ctx.adjoint_atol adjoint_method = ctx.adjoint_method adjoint_options = ctx.adjoint_options t_requires_grad = ctx.t_requires_grad event_mode = ctx.event_mode if event_mode: (t, y, event_t, *adjoint_params) = ctx.saved_tensors _t = t t = torch.cat([t[0].reshape((- 1)), event_t.reshape((- 1))]) grad_y = grad_y[1] else: (t, y, *adjoint_params) = ctx.saved_tensors grad_y = grad_y[0] adjoint_params = tuple(adjoint_params) aug_state = [torch.zeros((), dtype=y.dtype, device=y.device), y[(- 1)], grad_y[(- 1)]] aug_state.extend([torch.zeros_like(param) for param in adjoint_params]) def augmented_dynamics(t, y_aug): y = y_aug[1] adj_y = y_aug[2] with torch.enable_grad(): t_ = t.detach() t = t_.requires_grad_(True) y = y.detach().requires_grad_(True) func_eval = func((t if t_requires_grad else t_), y) _t = torch.as_strided(t, (), ()) _y = torch.as_strided(y, (), ()) _params = tuple((torch.as_strided(param, (), ()) for param in adjoint_params)) (vjp_t, vjp_y, *vjp_params) = torch.autograd.grad(func_eval, ((t, y) + adjoint_params), (- adj_y), allow_unused=True, retain_graph=True) vjp_t = (torch.zeros_like(t) if (vjp_t is None) else vjp_t) vjp_y = (torch.zeros_like(y) if (vjp_y is None) else vjp_y) vjp_params = [(torch.zeros_like(param) if (vjp_param is None) else vjp_param) for (param, vjp_param) in zip(adjoint_params, vjp_params)] return (vjp_t, func_eval, vjp_y, *vjp_params) for (callback_name, adjoint_callback_name) in zip(_all_callback_names, _all_adjoint_callback_names): try: callback = getattr(func, adjoint_callback_name) except AttributeError: pass else: setattr(augmented_dynamics, callback_name, callback) if t_requires_grad: time_vjps = torch.empty(len(t), dtype=t.dtype, device=t.device) else: time_vjps = None for i in range((len(t) - 1), 0, (- 1)): if t_requires_grad: func_eval = func(t[i], y[i]) dLd_cur_t = func_eval.reshape((- 1)).dot(grad_y[i].reshape((- 1))) aug_state[0] -= dLd_cur_t time_vjps[i] = dLd_cur_t aug_state = odeint(augmented_dynamics, tuple(aug_state), t[(i - 1):(i + 1)].flip(0), rtol=adjoint_rtol, atol=adjoint_atol, method=adjoint_method, options=adjoint_options) aug_state = [a[1] for a in aug_state] aug_state[1] = y[(i - 1)] aug_state[2] += grad_y[(i - 1)] if t_requires_grad: time_vjps[0] = aug_state[0] if (event_mode and t_requires_grad): time_vjps = torch.cat([time_vjps[0].reshape((- 1)), torch.zeros_like(_t[1:])]) adj_y = aug_state[2] adj_params = aug_state[3:] return (None, None, adj_y, time_vjps, None, None, None, None, None, None, None, None, None, None, *adj_params)
def odeint_adjoint(func, y0, t, *, rtol=1e-07, atol=1e-09, method=None, options=None, event_fn=None, adjoint_rtol=None, adjoint_atol=None, adjoint_method=None, adjoint_options=None, adjoint_params=None): if ((adjoint_params is None) and (not isinstance(func, nn.Module))): raise ValueError('func must be an instance of nn.Module to specify the adjoint parameters; alternatively they can be specified explicitly via the `adjoint_params` argument. If there are no parameters then it is allowable to set `adjoint_params=()`.') if (adjoint_rtol is None): adjoint_rtol = rtol if (adjoint_atol is None): adjoint_atol = atol if (adjoint_method is None): adjoint_method = method if ((adjoint_method != method) and (options is not None) and (adjoint_options is None)): raise ValueError('If `adjoint_method != method` then we cannot infer `adjoint_options` from `options`. So as `options` has been passed then `adjoint_options` must be passed as well.') if (adjoint_options is None): adjoint_options = ({k: v for (k, v) in options.items() if (k != 'norm')} if (options is not None) else {}) else: adjoint_options = adjoint_options.copy() if (adjoint_params is None): adjoint_params = tuple(find_parameters(func)) else: adjoint_params = tuple(adjoint_params) oldlen_ = len(adjoint_params) adjoint_params = tuple((p for p in adjoint_params if p.requires_grad)) if (len(adjoint_params) != oldlen_): if (('norm' in adjoint_options) and callable(adjoint_options['norm'])): warnings.warn('An adjoint parameter was passed without requiring gradient. For efficiency this will be excluded from the adjoint pass, and will not appear as a tensor in the adjoint norm.') (shapes, func, y0, t, rtol, atol, method, options, event_fn, decreasing_time) = _check_inputs(func, y0, t, rtol, atol, method, options, event_fn, SOLVERS) state_norm = options['norm'] handle_adjoint_norm_(adjoint_options, shapes, state_norm) ans = OdeintAdjointMethod.apply(shapes, func, y0, t, rtol, atol, method, options, event_fn, adjoint_rtol, adjoint_atol, adjoint_method, adjoint_options, t.requires_grad, *adjoint_params) if (event_fn is None): solution = ans else: (event_t, solution) = ans event_t = event_t.to(t) if decreasing_time: event_t = (- event_t) if (shapes is not None): solution = _flat_to_shape(solution, (len(t),), shapes) if (event_fn is None): return solution else: return (event_t, solution)
def find_parameters(module): assert isinstance(module, nn.Module) if getattr(module, '_is_replica', False): def find_tensor_attributes(module): tuples = [(k, v) for (k, v) in module.__dict__.items() if (torch.is_tensor(v) and v.requires_grad)] return tuples gen = module._named_members(get_members_fn=find_tensor_attributes) return [param for (_, param) in gen] else: return list(module.parameters())
def handle_adjoint_norm_(adjoint_options, shapes, state_norm): 'In-place modifies the adjoint options to choose or wrap the norm function.' def default_adjoint_norm(tensor_tuple): (t, y, adj_y, *adj_params) = tensor_tuple return max(t.abs(), state_norm(y), state_norm(adj_y), _mixed_norm(adj_params)) if ('norm' not in adjoint_options): adjoint_options['norm'] = default_adjoint_norm else: try: adjoint_norm = adjoint_options['norm'] except KeyError: adjoint_options['norm'] = default_adjoint_norm else: if (adjoint_norm == 'seminorm'): def adjoint_seminorm(tensor_tuple): (t, y, adj_y, *adj_params) = tensor_tuple return max(t.abs(), state_norm(y), state_norm(adj_y)) adjoint_options['norm'] = adjoint_seminorm elif (shapes is None): pass else: def _adjoint_norm(tensor_tuple): (t, y, adj_y, *adj_params) = tensor_tuple y = _flat_to_shape(y, (), shapes) adj_y = _flat_to_shape(adj_y, (), shapes) return adjoint_norm((t, *y, *adj_y, *adj_params)) adjoint_options['norm'] = _adjoint_norm
class Bosh3Solver(RKAdaptiveStepsizeODESolver): order = 3 tableau = _BOGACKI_SHAMPINE_TABLEAU mid = _BS_C_MID
class Dopri5Solver(RKAdaptiveStepsizeODESolver): order = 5 tableau = _DORMAND_PRINCE_SHAMPINE_TABLEAU mid = DPS_C_MID
class Dopri8Solver(RKAdaptiveStepsizeODESolver): order = 8 tableau = _DOPRI8_TABLEAU mid = _C_mid
def find_event(interp_fn, sign0, t0, t1, event_fn, tol): with torch.no_grad(): nitrs = torch.ceil((torch.log(((t1 - t0) / tol)) / math.log(2.0))) for _ in range(nitrs.long()): t_mid = ((t1 + t0) / 2.0) y_mid = interp_fn(t_mid) sign_mid = torch.sign(event_fn(t_mid, y_mid)) same_as_sign0 = (sign0 == sign_mid) t0 = torch.where(same_as_sign0, t_mid, t0) t1 = torch.where(same_as_sign0, t1, t_mid) event_t = ((t0 + t1) / 2.0) return (event_t, interp_fn(event_t))
def combine_event_functions(event_fn, t0, y0): '\n We ensure all event functions are initially positive,\n so then we can combine them by taking a min.\n ' with torch.no_grad(): initial_signs = torch.sign(event_fn(t0, y0)) def combined_event_fn(t, y): c = event_fn(t, y) return torch.min((c * initial_signs)) return combined_event_fn
class Fehlberg2(RKAdaptiveStepsizeODESolver): order = 2 tableau = _FEHLBERG2_TABLEAU mid = _FE_C_MID
def _dot_product(x, y): return sum(((xi * yi) for (xi, yi) in zip(x, y)))
class AdamsBashforthMoulton(FixedGridODESolver): order = 4 def __init__(self, func, y0, rtol=0.001, atol=0.0001, implicit=True, max_iters=_MAX_ITERS, max_order=_MAX_ORDER, **kwargs): super(AdamsBashforthMoulton, self).__init__(func, y0, rtol=rtol, atol=rtol, **kwargs) assert (max_order <= _MAX_ORDER), 'max_order must be at most {}'.format(_MAX_ORDER) if (max_order < _MIN_ORDER): warnings.warn('max_order is below {}, so the solver reduces to `rk4`.'.format(_MIN_ORDER)) self.rtol = torch.as_tensor(rtol, dtype=y0.dtype, device=y0.device) self.atol = torch.as_tensor(atol, dtype=y0.dtype, device=y0.device) self.implicit = implicit self.max_iters = max_iters self.max_order = int(max_order) self.prev_f = collections.deque(maxlen=(self.max_order - 1)) self.prev_t = None self.bashforth = [x.to(y0.device) for x in _BASHFORTH_DIVISOR] self.moulton = [x.to(y0.device) for x in _MOULTON_DIVISOR] def _update_history(self, t, f): if ((self.prev_t is None) or (self.prev_t != t)): self.prev_f.appendleft(f) self.prev_t = t def _has_converged(self, y0, y1): 'Checks that each element is within the error tolerance.' error_ratio = _compute_error_ratio(torch.abs((y0 - y1)), self.rtol, self.atol, y0, y1, _linf_norm) return (error_ratio < 1) def _step_func(self, func, t0, dt, t1, y0): f0 = func(t0, y0, perturb=(Perturb.NEXT if self.perturb else Perturb.NONE)) self._update_history(t0, f0) order = min(len(self.prev_f), (self.max_order - 1)) if (order < (_MIN_ORDER - 1)): return (rk4_alt_step_func(func, t0, dt, t1, y0, f0=self.prev_f[0], perturb=self.perturb), f0) else: bashforth_coeffs = self.bashforth[order] dy = _dot_product((dt * bashforth_coeffs), self.prev_f).type_as(y0) if self.implicit: moulton_coeffs = self.moulton[(order + 1)] delta = (dt * _dot_product(moulton_coeffs[1:], self.prev_f).type_as(y0)) converged = False for _ in range(self.max_iters): dy_old = dy f = func(t1, (y0 + dy), perturb=(Perturb.PREV if self.perturb else Perturb.NONE)) dy = (((dt * moulton_coeffs[0]) * f).type_as(y0) + delta) converged = self._has_converged(dy_old, dy) if converged: break if (not converged): warnings.warn('Functional iteration did not converge. Solution may be incorrect.') self.prev_f.pop() self._update_history(t0, f) return (dy, f0)
class AdamsBashforth(AdamsBashforthMoulton): def __init__(self, func, y0, **kwargs): super(AdamsBashforth, self).__init__(func, y0, implicit=False, **kwargs)
class Euler(FixedGridODESolver): order = 1 def _step_func(self, func, t0, dt, t1, y0): f0 = func(t0, y0, perturb=(Perturb.NEXT if self.perturb else Perturb.NONE)) return ((dt * f0), f0)
class Midpoint(FixedGridODESolver): order = 2 def _step_func(self, func, t0, dt, t1, y0): half_dt = (0.5 * dt) f0 = func(t0, y0, perturb=(Perturb.NEXT if self.perturb else Perturb.NONE)) y_mid = (y0 + (f0 * half_dt)) return ((dt * func((t0 + half_dt), y_mid)), f0)
class RK4(FixedGridODESolver): order = 4 def _step_func(self, func, t0, dt, t1, y0): f0 = func(t0, y0, perturb=(Perturb.NEXT if self.perturb else Perturb.NONE)) return (rk4_alt_step_func(func, t0, dt, t1, y0, f0=f0, perturb=self.perturb), f0)
class Heun3(FixedGridODESolver): order = 3 def _step_func(self, func, t0, dt, t1, y0): f0 = func(t0, y0, perturb=(Perturb.NEXT if self.perturb else Perturb.NONE)) butcher_tableu = [[0.0, 0.0, 0.0, 0.0], [(1 / 3), (1 / 3), 0.0, 0.0], [(2 / 3), 0.0, (2 / 3), 0.0], [0.0, (1 / 4), 0.0, (3 / 4)]] return (rk3_step_func(func, t0, dt, t1, y0, butcher_tableu=butcher_tableu, f0=f0, perturb=self.perturb), f0)
def _interp_fit(y0, y1, y_mid, f0, f1, dt): 'Fit coefficients for 4th order polynomial interpolation.\n\n Args:\n y0: function value at the start of the interval.\n y1: function value at the end of the interval.\n y_mid: function value at the mid-point of the interval.\n f0: derivative value at the start of the interval.\n f1: derivative value at the end of the interval.\n dt: width of the interval.\n\n Returns:\n List of coefficients `[a, b, c, d, e]` for interpolating with the polynomial\n `p = a * x ** 4 + b * x ** 3 + c * x ** 2 + d * x + e` for values of `x`\n between 0 (start of interval) and 1 (end of interval).\n ' a = ((((2 * dt) * (f1 - f0)) - (8 * (y1 + y0))) + (16 * y_mid)) b = ((((dt * ((5 * f0) - (3 * f1))) + (18 * y0)) + (14 * y1)) - (32 * y_mid)) c = ((((dt * (f1 - (4 * f0))) - (11 * y0)) - (5 * y1)) + (16 * y_mid)) d = (dt * f0) e = y0 return [e, d, c, b, a]
def _interp_evaluate(coefficients, t0, t1, t): 'Evaluate polynomial interpolation at the given time point.\n\n Args:\n coefficients: list of Tensor coefficients as created by `interp_fit`.\n t0: scalar float64 Tensor giving the start of the interval.\n t1: scalar float64 Tensor giving the end of the interval.\n t: scalar float64 Tensor giving the desired interpolation point.\n\n Returns:\n Polynomial interpolation of the coefficients at time `t`.\n ' assert ((t0 <= t) & (t <= t1)), 'invalid interpolation, fails `t0 <= t <= t1`: {}, {}, {}'.format(t0, t, t1) x = ((t - t0) / (t1 - t0)) x = x.to(coefficients[0].dtype) total = (coefficients[0] + (x * coefficients[1])) x_power = x for coefficient in coefficients[2:]: x_power = (x_power * x) total = (total + (x_power * coefficient)) return total
def odeint(func, y0, t, *, rtol=1e-07, atol=1e-09, method=None, options=None, event_fn=None): 'Integrate a system of ordinary differential equations.\n\n Solves the initial value problem for a non-stiff system of first order ODEs:\n ```\n dy/dt = func(t, y), y(t[0]) = y0\n ```\n where y is a Tensor or tuple of Tensors of any shape.\n\n Output dtypes and numerical precision are based on the dtypes of the inputs `y0`.\n\n Args:\n func: Function that maps a scalar Tensor `t` and a Tensor holding the state `y`\n into a Tensor of state derivatives with respect to time. Optionally, `y`\n can also be a tuple of Tensors.\n y0: N-D Tensor giving starting value of `y` at time point `t[0]`. Optionally, `y0`\n can also be a tuple of Tensors.\n t: 1-D Tensor holding a sequence of time points for which to solve for\n `y`, in either increasing or decreasing order. The first element of\n this sequence is taken to be the initial time point.\n rtol: optional float64 Tensor specifying an upper bound on relative error,\n per element of `y`.\n atol: optional float64 Tensor specifying an upper bound on absolute error,\n per element of `y`.\n method: optional string indicating the integration method to use.\n options: optional dict of configuring options for the indicated integration\n method. Can only be provided if a `method` is explicitly set.\n event_fn: Function that maps the state `y` to a Tensor. The solve terminates when\n event_fn evaluates to zero. If this is not None, all but the first elements of\n `t` are ignored.\n\n Returns:\n y: Tensor, where the first dimension corresponds to different\n time points. Contains the solved value of y for each desired time point in\n `t`, with the initial value `y0` being the first element along the first\n dimension.\n\n Raises:\n ValueError: if an invalid `method` is provided.\n ' (shapes, func, y0, t, rtol, atol, method, options, event_fn, t_is_reversed) = _check_inputs(func, y0, t, rtol, atol, method, options, event_fn, SOLVERS) solver = SOLVERS[method](func=func, y0=y0, rtol=rtol, atol=atol, **options) if (event_fn is None): solution = solver.integrate(t) else: (event_t, solution) = solver.integrate_until_event(t[0], event_fn) event_t = event_t.to(t) if t_is_reversed: event_t = (- event_t) if (shapes is not None): solution = _flat_to_shape(solution, (len(t),), shapes) if (event_fn is None): return solution else: return (event_t, solution)
def odeint_dense(func, y0, t0, t1, *, rtol=1e-07, atol=1e-09, method=None, options=None): assert torch.is_tensor(y0) t = torch.tensor([t0, t1]).to(t0) (shapes, func, y0, t, rtol, atol, method, options, _, _) = _check_inputs(func, y0, t, rtol, atol, method, options, None, SOLVERS) assert (method == 'dopri5') solver = Dopri5Solver(func=func, y0=y0, rtol=rtol, atol=atol, **options) solution = torch.empty(len(t), *solver.y0.shape, dtype=solver.y0.dtype, device=solver.y0.device) solution[0] = solver.y0 t = t.to(solver.dtype) solver._before_integrate(t) t0 = solver.rk_state.t0 times = [t0] interp_coeffs = [] for i in range(1, len(t)): next_t = t[i] while (next_t > solver.rk_state.t1): solver.rk_state = solver._adaptive_step(solver.rk_state) t1 = solver.rk_state.t1 if (t1 != t0): t0 = t1 times.append(t1) interp_coeffs.append(torch.stack(solver.rk_state.interp_coeff)) solution[i] = _interp_evaluate(solver.rk_state.interp_coeff, solver.rk_state.t0, solver.rk_state.t1, next_t) times = torch.stack(times).reshape((- 1)).cpu() interp_coeffs = torch.stack(interp_coeffs) def dense_output_fn(t_eval): idx = torch.searchsorted(times, t_eval, side='right') t0 = times[(idx - 1)] t1 = times[idx] coef = [interp_coeffs[(idx - 1)][i] for i in range(interp_coeffs.shape[1])] return _interp_evaluate(coef, t0, t1, t_eval) return dense_output_fn
def odeint_event(func, y0, t0, *, event_fn, reverse_time=False, odeint_interface=odeint, **kwargs): 'Automatically links up the gradient from the event time.' if reverse_time: t = torch.cat([t0.reshape((- 1)), (t0.reshape((- 1)).detach() - 1.0)]) else: t = torch.cat([t0.reshape((- 1)), (t0.reshape((- 1)).detach() + 1.0)]) (event_t, solution) = odeint_interface(func, y0, t, event_fn=event_fn, **kwargs) (shapes, _func, _, t, _, _, _, _, event_fn, _) = _check_inputs(func, y0, t, 0.0, 0.0, None, None, event_fn, SOLVERS) if (shapes is not None): state_t = torch.cat([s[(- 1)].reshape((- 1)) for s in solution]) else: state_t = solution[(- 1)] if reverse_time: event_t = (- event_t) (event_t, state_t) = ImplicitFnGradientRerouting.apply(_func, event_fn, event_t, state_t) if reverse_time: event_t = (- event_t) if (shapes is not None): state_t = _flat_to_shape(state_t, (), shapes) solution = tuple((torch.cat([s[:(- 1)], s_t[None]], dim=0) for (s, s_t) in zip(solution, state_t))) else: solution = torch.cat([solution[:(- 1)], state_t[None]], dim=0) return (event_t, solution)
class ImplicitFnGradientRerouting(torch.autograd.Function): @staticmethod def forward(ctx, func, event_fn, event_t, state_t): ' event_t is the solution to event_fn ' ctx.func = func ctx.event_fn = event_fn ctx.save_for_backward(event_t, state_t) return (event_t.detach(), state_t.detach()) @staticmethod def backward(ctx, grad_t, grad_state): func = ctx.func event_fn = ctx.event_fn (event_t, state_t) = ctx.saved_tensors event_t = event_t.detach().clone().requires_grad_(True) state_t = state_t.detach().clone().requires_grad_(True) f_val = func(event_t, state_t) with torch.enable_grad(): (c, (par_dt, dstate)) = vjp(event_fn, (event_t, state_t)) dcdt = (par_dt + torch.sum((dstate * f_val))) grad_t = (grad_t + torch.sum((grad_state * f_val))) dstate = (dstate * ((- grad_t) / (dcdt + 1e-12)).reshape_as(c)) grad_state = (grad_state + dstate) return (None, None, None, grad_state)
class ScipyWrapperODESolver(metaclass=abc.ABCMeta): def __init__(self, func, y0, rtol, atol, min_step=0, max_step=float('inf'), solver='LSODA', **unused_kwargs): unused_kwargs.pop('norm', None) unused_kwargs.pop('grid_points', None) unused_kwargs.pop('eps', None) _handle_unused_kwargs(self, unused_kwargs) del unused_kwargs self.dtype = y0.dtype self.device = y0.device self.shape = y0.shape self.y0 = y0.detach().cpu().numpy().reshape((- 1)) self.rtol = rtol self.atol = atol self.min_step = min_step self.max_step = max_step self.solver = solver self.func = convert_func_to_numpy(func, self.shape, self.device, self.dtype) def integrate(self, t): if (t.numel() == 1): return torch.tensor(self.y0)[None].to(self.device, self.dtype) t = t.detach().cpu().numpy() sol = solve_ivp(self.func, t_span=[t.min(), t.max()], y0=self.y0, t_eval=t, method=self.solver, rtol=self.rtol, atol=self.atol, min_step=self.min_step, max_step=self.max_step) sol = torch.tensor(sol.y).T.to(self.device, self.dtype) sol = sol.reshape((- 1), *self.shape) return sol @classmethod def valid_callbacks(cls): return set()
def convert_func_to_numpy(func, shape, device, dtype): def np_func(t, y): t = torch.tensor(t).to(device, dtype) y = torch.reshape(torch.tensor(y).to(device, dtype), shape) with torch.no_grad(): f = func(t, y) return f.detach().cpu().numpy().reshape((- 1)) return np_func
class AdaptiveStepsizeODESolver(metaclass=abc.ABCMeta): def __init__(self, dtype, y0, norm, **unused_kwargs): _handle_unused_kwargs(self, unused_kwargs) del unused_kwargs self.y0 = y0 self.dtype = dtype self.norm = norm def _before_integrate(self, t): pass @abc.abstractmethod def _advance(self, next_t): raise NotImplementedError @classmethod def valid_callbacks(cls): return set() def integrate(self, t): solution = torch.empty(len(t), *self.y0.shape, dtype=self.y0.dtype, device=self.y0.device) solution[0] = self.y0 t = t.to(self.dtype) self._before_integrate(t) for i in range(1, len(t)): solution[i] = self._advance(t[i]) return solution
class AdaptiveStepsizeEventODESolver(AdaptiveStepsizeODESolver, metaclass=abc.ABCMeta): @abc.abstractmethod def _advance_until_event(self, event_fn): raise NotImplementedError def integrate_until_event(self, t0, event_fn): t0 = t0.to(self.y0.device, self.dtype) self._before_integrate(t0.reshape((- 1))) (event_time, y1) = self._advance_until_event(event_fn) solution = torch.stack([self.y0, y1], dim=0) return (event_time, solution)
class FixedGridODESolver(metaclass=abc.ABCMeta): order: int def __init__(self, func, y0, step_size=None, grid_constructor=None, interp='linear', perturb=False, **unused_kwargs): self.atol = unused_kwargs.pop('atol') unused_kwargs.pop('rtol', None) unused_kwargs.pop('norm', None) _handle_unused_kwargs(self, unused_kwargs) del unused_kwargs self.func = func self.y0 = y0 self.dtype = y0.dtype self.device = y0.device self.step_size = step_size self.interp = interp self.perturb = perturb if (step_size is None): if (grid_constructor is None): self.grid_constructor = (lambda f, y0, t: t) else: self.grid_constructor = grid_constructor elif (grid_constructor is None): self.grid_constructor = self._grid_constructor_from_step_size(step_size) else: raise ValueError('step_size and grid_constructor are mutually exclusive arguments.') @classmethod def valid_callbacks(cls): return {'callback_step'} @staticmethod def _grid_constructor_from_step_size(step_size): def _grid_constructor(func, y0, t): start_time = t[0] end_time = t[(- 1)] niters = torch.ceil((((end_time - start_time) / step_size) + 1)).item() t_infer = ((torch.arange(0, niters, dtype=t.dtype, device=t.device) * step_size) + start_time) t_infer[(- 1)] = t[(- 1)] return t_infer return _grid_constructor @abc.abstractmethod def _step_func(self, func, t0, dt, t1, y0): pass def integrate(self, t): time_grid = self.grid_constructor(self.func, self.y0, t) assert ((time_grid[0] == t[0]) and (time_grid[(- 1)] == t[(- 1)])) solution = torch.empty(len(t), *self.y0.shape, dtype=self.y0.dtype, device=self.y0.device) solution[0] = self.y0 j = 1 y0 = self.y0 for (t0, t1) in zip(time_grid[:(- 1)], time_grid[1:]): dt = (t1 - t0) self.func.callback_step(t0, y0, dt) (dy, f0) = self._step_func(self.func, t0, dt, t1, y0) y1 = (y0 + dy) while ((j < len(t)) and (t1 >= t[j])): if (self.interp == 'linear'): solution[j] = self._linear_interp(t0, t1, y0, y1, t[j]) elif (self.interp == 'cubic'): f1 = self.func(t1, y1) solution[j] = self._cubic_hermite_interp(t0, y0, f0, t1, y1, f1, t[j]) else: raise ValueError(f'Unknown interpolation method {self.interp}') j += 1 y0 = y1 return solution def integrate_until_event(self, t0, event_fn): assert (self.step_size is not None), 'Event handling for fixed step solvers currently requires `step_size` to be provided in options.' t0 = t0.type_as(self.y0.abs()) y0 = self.y0 dt = self.step_size sign0 = torch.sign(event_fn(t0, y0)) max_itrs = 20000 itr = 0 while True: itr += 1 t1 = (t0 + dt) (dy, f0) = self._step_func(self.func, t0, dt, t1, y0) y1 = (y0 + dy) sign1 = torch.sign(event_fn(t1, y1)) if (sign0 != sign1): if (self.interp == 'linear'): interp_fn = (lambda t: self._linear_interp(t0, t1, y0, y1, t)) elif (self.interp == 'cubic'): f1 = self.func(t1, y1) interp_fn = (lambda t: self._cubic_hermite_interp(t0, y0, f0, t1, y1, f1, t)) else: raise ValueError(f'Unknown interpolation method {self.interp}') (event_time, y1) = find_event(interp_fn, sign0, t0, t1, event_fn, float(self.atol)) break else: (t0, y0) = (t1, y1) if (itr >= max_itrs): raise RuntimeError(f'Reached maximum number of iterations {max_itrs}.') solution = torch.stack([self.y0, y1], dim=0) return (event_time, solution) def _cubic_hermite_interp(self, t0, y0, f0, t1, y1, f1, t): h = ((t - t0) / (t1 - t0)) h00 = (((1 + (2 * h)) * (1 - h)) * (1 - h)) h10 = ((h * (1 - h)) * (1 - h)) h01 = ((h * h) * (3 - (2 * h))) h11 = ((h * h) * (h - 1)) dt = (t1 - t0) return ((((h00 * y0) + ((h10 * dt) * f0)) + (h01 * y1)) + ((h11 * dt) * f1)) def _linear_interp(self, t0, t1, y0, y1, t): if (t == t0): return y0 if (t == t1): return y1 slope = ((t - t0) / (t1 - t0)) return (y0 + (slope * (y1 - y0)))
def bohrToMeters(value, dimension=1): BOHR_CONSTANT = 5.2917725e-11 return (value * (BOHR_CONSTANT ** dimension))
def fileExists(filename): chk = os.path.exists(filename) return chk
class ParseError(Exception): def __init__(self, message, errorTags): Exception.__init__(self, message) self.errorTags = errorTags
def parse_win_mp_grid(f): parse_line_list = (lambda line, delimiter, T: [T(y) for y in [x.strip() for x in line.strip().split(delimiter)] if y]) for line in f.readlines(): if ('mp_grid' in line): return parse_line_list(line.split(':')[1], ' ', int)
def parse_nnkp_nnkpts(f): nnkpts = [] with f as input_data: for line in input_data: if (line.strip() == 'begin nnkpts'): break for line in input_data: if (line.strip() == 'end nnkpts'): break line1 = line.strip() line2 = line1.split() line3 = map(int, line2) line4 = tuple(line3) if (len(line2) == 5): nnkpts.append(line4) return nnkpts
def parse_pair_info_line(line): 'Converts a pair-info line into k1, k2, and a G vector\n ' k1 = float(line[0:8]) k2 = float(line[9:16]) G = (float(line[17:24]), float(line[25:32]), float(line[33:40])) return (k1, k2, G)
def parse_matrix_element_line(line): 'Converts a matrix element line into a value\n ' real_part = float(line[0:18]) imaginary_part = float(line[19:36]) return (real_part + (imaginary_part * 1j))
def parse_mmn_info_line(line): n_energy = int(line[0:12]) n_pairs = int(line[13:24]) n_neighbours = int(line[25:36]) return (n_energy, n_pairs, n_neighbours)
def determine_neighbours(D, d, P=[0, 1, 2]): "Computes a bidirectional graph of points who are adjacent in the\n grid of dimensions `D', in the forward direction given by `d'.\n\n The value at each node in the graph is a tuple containing the\n linear index of the neighbour in the direction `d' and another\n containing the linear index of the neighbour in the direction `-d'.\n\n The resulting graph will be acyclic. The end-points of each path\n are forward or backward values of None.\n\n The order of the dimensions for computing the linear index are\n given by P (C-style [0,1,2], FORTRAN-style [2,1,0])\n\n Additionally, a list of all tuples of pairs of points is generated.\n These tuples contain the linear index of the first point, the\n linear index of the second point, and the G vector of the second\n point.\n\n Returns: pair tuple list, neighbour graph\n " product = (lambda l: functools.reduce((lambda x, y: (x * y)), l, 1)) vector_add = (lambda v1, v2: [(x + y) for (x, y) in zip(v1, v2)]) permute = (lambda v, P: [v[i] for i in P]) linear_index = (lambda v, D: sum(((c * i) for (i, c) in zip(v, [product(D[:i]) for i in range(len(D))])))) def wrap_vector(v, d, D): G = [0, 0, 0] for (i, j) in enumerate(d): if (j != 0): if ((v[i] < 0) or (v[i] >= D[i])): v[i] = (v[i] % D[i]) G = d return (v, G) nnkpts = [] neighbour_graph = {} for a in range(D[0]): for b in range(D[1]): for c in range(D[2]): v = [a, b, c] (v_neighbour, G) = wrap_vector(vector_add(v, d), d, D) i = (linear_index(permute(v, P), permute(D, P)) + 1) i_neighbour = (linear_index(permute(v_neighbour, P), permute(D, P)) + 1) if (i not in neighbour_graph): neighbour_graph[i] = [None, None] if (i_neighbour not in neighbour_graph): neighbour_graph[i_neighbour] = [None, None] if (G.count(0) == 3): neighbour_graph[i][1] = i_neighbour neighbour_graph[i_neighbour][0] = i nnkpts.append((i, i_neighbour, G[0], G[1], G[2])) return (nnkpts, neighbour_graph)
def print_usage(): print('Usage: mmn2pathphase case [direction] [-w]') print(' direction x, y, or z; for <x, y, z> (default x)') print(' -w option is for Weyl k-path calculation')
def main(args): VERBOSE = False parse_line_list = (lambda line, delimiter, T: [T(y) for y in [x.strip() for x in line.strip().split(delimiter)] if y]) if (len(args) < 2): print('Error: no case or direction provided') exit(1) spOption = '' wCalc = False for arg in args: if ('-up' in arg): spOption = 'up' elif ('-dn' in arg): spOption = 'dn' elif ('-w' in arg): wCalc = True case_name = args[0] direction_args = {'x': [1, 0, 0], 'y': [0, 1, 0], 'z': [0, 0, 1]} if (len(args) > 2): if (args[1] not in direction_args): print('Error: unknown direction', args[1]) exit(1) direction = direction_args[args[1]] else: direction = direction_args['x'] Mmn = {} phase_sums = [] f_win = open(((case_name + '.win') + spOption), 'r') kmesh = parse_win_mp_grid(f_win) f_win.close() if wCalc: f_nnkp = open(((case_name + '.nnkp') + spOption), 'r') nnkpts = parse_nnkp_nnkpts(f_nnkp) f_nnkp.close() else: (nnkpts, neighbour_graph) = determine_neighbours(kmesh, direction, [2, 1, 0]) if VERBOSE: print(nnkpts) f_mmn = open(((case_name + '.mmn') + spOption), 'r') f_mmn.readline() (n_energy, n_pairs, n_neighbours) = parse_mmn_info_line(f_mmn.readline()) for i in range((n_pairs * n_neighbours)): (k1, k2, G) = parse_pair_info_line(f_mmn.readline()) if ((k1, k2, G[0], G[1], G[2]) in nnkpts): Mmnk1k2 = numpy.zeros(shape=(n_energy, n_energy), dtype=complex) for a in range(n_energy): for b in range(n_energy): element_value = parse_matrix_element_line(f_mmn.readline()) Mmnk1k2[(b, a)] = element_value Mmn[k1] = Mmnk1k2 else: for a in range(n_energy): for b in range(n_energy): parse_matrix_element_line(f_mmn.readline()) f_mmn.close() if wCalc: for (i, Mmni) in Mmn.items(): i = int(i) if (i == 1): L = Mmni else: L = numpy.matmul(L, Mmni) (leign, vect) = numpy.linalg.eig(L) del vect wcc = numpy.array([((numpy.angle(z) / (2 * numpy.pi)) % 1) for z in leign]) idx = numpy.argsort(wcc) wcc = wcc[idx] numpy.set_printoptions(linewidth=numpy.inf) numpy.savetxt('wcc_i.csv', [wcc], delimiter=',', footer='', comments='', fmt='%f') psin = ((wcc * 2) * numpy.pi) psi = sum(psin) print('[ BerryPI ]', 'Berry phase sum (rad) =', psi) return testdat = open('test.dat', 'w') for (k, neighbours) in neighbour_graph.items(): k_prev = neighbours[0] k_next = neighbours[1] if (k_next is None): kpath = [] kpath.append(k) kpath.append(k_prev) while k_prev: neighbours = neighbour_graph[k_prev] k_prev = neighbours[0] kpath.append(k_prev) kpath = kpath[:(- 1)] kpath.reverse() L = Mmn[kpath[0]] if (len(kpath) > 1): for ki in kpath[1:]: Mmni = Mmn[ki] L = numpy.matmul(L, Mmni) (leign, vect) = numpy.linalg.eig(L) del vect psin = numpy.array([(numpy.angle(z) % (2 * numpy.pi)) for z in leign]) psi = sum(psin) phase_sums.append((kpath[0], psi)) testdat.close() phase_sums.sort(key=(lambda x: x[0])) f_pathphase = open(((case_name + '.pathphase') + spOption), 'w') f_pathphase.write(('%4d\n' % len(phase_sums))) f_pathphase.write((' %2d %2d %2d\n' % (direction[0], direction[1], direction[2]))) for (k, phase_sum) in phase_sums: f_pathphase.write((' %6d %.12f\n' % (k, phase_sum))) f_pathphase.close() return phase_sums
def rmerror(corename): pattern = (('*' + corename) + '*.error') print(DEFAULT_PREFIX, 'Cleaning error files:', pattern) for errfilename in glob.glob(pattern): os.remove(errfilename)
def getStringFromList(theList): if (len(theList) > 1): theList = functools.reduce((lambda i, j: ((str(i) + ' ') + str(j))), theList) return str(theList) else: return str(theList[0])
class VirtualShellInstance(): def __init__(self, command, *arguments, **options): if arguments: self._arguments = getStringFromList(arguments) else: self._arguments = '' self._command = command self.output = None if ('input' in options): theInput = options['input'] if (type(theInput) == type([])): theInput = functools.reduce((lambda i, j: ((str(i) + '\n') + str(j))), theInput) self._command = ((((('echo ' + '"') + str(theInput)) + '"') + ' | ') + self._command) def __call__(self): self.run() def run(self): commandString = ((self._command + ' ') + self._arguments) print(((DEFAULT_PREFIX + 'Calling command: ') + self.getCommandString())) self.output = subprocess.check_call(commandString, shell=True, executable='/bin/bash') def progress(self): print(self.output) def getCommandString(self): commandString = ((self._command + ' ') + self._arguments) commandString = commandString.replace('\n', ' ') return commandString
def testerror(corename): pattern = (('*' + corename) + '*.error') for errfilename in glob.glob(pattern): errfilesize = os.path.getsize(errfilename) if (errfilesize != 0): print('ERROR detected in', corename) print('Please check the error file:', errfilename) sys.exit(1)
def WloopIN_Z(X1, X2, S, E): Data = np.append(X1, X2, axis=1) (row, col) = Data.shape ab = np.ones(row) ab.shape = (1, row) Data = np.insert(Data, 2, (S * ab), axis=1) Data = np.insert(Data, 3, X1.T, axis=1) Data = np.insert(Data, 4, X2.T, axis=1) Data = np.insert(Data, 5, (E * ab), axis=1) return Data
def WloopIN_X(X1, X2, S, E): Data = np.append(X1, X2, axis=1) (row, col) = Data.shape ab = np.ones(row) ab.shape = (1, row) Data = np.insert(Data, 0, (S * ab), axis=1) Data = np.insert(Data, 3, (E * ab), axis=1) Data = np.insert(Data, 4, X1.T, axis=1) Data = np.insert(Data, 5, X2.T, axis=1) return Data
def WloopIN_Y(X1, X2, S, E): Data = np.append(X1, X2, axis=1) (row, col) = Data.shape ab = np.ones(row) ab.shape = (1, row) Data = np.insert(Data, 1, (S * ab), axis=1) Data = np.insert(Data, 3, X1.T, axis=1) Data = np.insert(Data, 4, (E * ab), axis=1) Data = np.insert(Data, 5, X2.T, axis=1) return Data
def write_date(f): t = datetime.now() f.write('File written on ') f.write(t.strftime('%d%b%Y at %H:%M:%S')) f.write('\n\n')
def write_calc_only_A(f): f.write('calc_only_A : F\n\n')
def write_real_lattice(f, real_lattice): f.write('begin real_lattice\n') for i in range(3): a = real_lattice[i] f.write(' {0:>11.7f} {1:>11.7f} {2:>11.7f}\n'.format(*a)) f.write('end real_lattice\n\n')
def write_recip_lattice(f, recip_lattice): f.write('begin recip_lattice\n') for i in range(3): a = recip_lattice[i] f.write(' {0:>11.7f} {1:>11.7f} {2:>11.7f}\n'.format(*a)) f.write('end recip_lattice\n\n')
def write_kpoints(f, kpoints): f.write('begin kpoints\n') f.write('{0:>6d}\n'.format(len(kpoints))) for p in kpoints: f.write(' {0:>13.8f} {1:>13.8f} {2:>13.8f}\n'.format(*p)) f.write('end kpoints\n\n')
def write_projections(f): f.write('begin projections\n') f.write('end projections\n\n')
def write_nnkpts(f, nnkpts, wCalc): neighbours_per_kpoint = 3 f.write('begin nnkpts\n') if wCalc: f.write('{0:4d}\n'.format(1)) else: f.write('{0:4d}\n'.format(neighbours_per_kpoint)) for p in nnkpts: f.write(' {0:5d} {1:5d} {2:3d} {3:3d} {4:3d}\n'.format(*p)) f.write('end nnkpts\n\n')
def write_exclude_bands(f): f.write('begin exclude_bands\n') f.write('{0:4d}\n'.format(0)) f.write('end exclude_bands\n')
def calculate_nnkpts(D, wCalc, wTranslDir, nkpt): 'Calculates neighbours pairs for all paths. \n D - k-mesh (#,#,#)\n wCalc - Logical var to indicate Weyl path calculation (True/False)\n wTranslDir - Direction for k(1)+G[dir] at the end of the loop.\n nkpt - number of k-points in the list\n ' product = (lambda l: functools.reduce((lambda x, y: (x * y)), l, 1)) vector_add = (lambda v1, v2: [(x + y) for (x, y) in zip(v1, v2)]) permute = (lambda v, P: [v[i] for i in P]) linear_index = (lambda v, D: sum(((c * i) for (i, c) in zip(v, [product(D[:i]) for i in range(len(D))])))) def wrap_vector(v, d, D): G = [0, 0, 0] for (i, j) in enumerate(d): if (j != 0): if ((v[i] < 0) or (v[i] >= D[i])): v[i] = (v[i] % D[i]) G = d return (v, G) P = [2, 1, 0] directions = [[1, 0, 0], [0, 1, 0], [0, 0, 1]] nnkpts = [] for a in range(D[0]): for b in range(D[1]): for c in range(D[2]): for d in directions: v = [a, b, c] (v_neighbour, G) = wrap_vector(vector_add(v, d), d, D) i = (linear_index(permute(v, P), permute(D, P)) + 1) i_neighbour = (linear_index(permute(v_neighbour, P), permute(D, P)) + 1) nnkpts.append((i, i_neighbour, G[0], G[1], G[2])) if wCalc: nnkpts = [] for i in range((nkpt - 1)): nnkpts.append(((i + 1), (i + 2), 0, 0, 0)) if (wTranslDir == 0): nnkpts.append((nkpt, 1, 0, 0, 0)) elif (wTranslDir == 1): nnkpts.append((nkpt, 1, 1, 0, 0)) elif (wTranslDir == 2): nnkpts.append((nkpt, 1, 0, 1, 0)) elif (wTranslDir == 3): nnkpts.append((nkpt, 1, 0, 0, 1)) else: raise ValueError(f'Error in win2nnkp wTranslDir={wTranslDir}, while expected one of [0,1,2,3]') return nnkpts
def parse_win_kpoints(f): while ('begin kpoints' not in f.readline()): pass kpoints = [] for line in f.readlines(): if ('end kpoints' in line): break kpoint = tuple(parse_line_list(line, ' ', float)) kpoints.append(kpoint) return kpoints
def parse_win_mp_grid(f): for line in f.readlines(): if ('mp_grid' in line): return parse_line_list(line.split(':')[1], ' ', int)
def parse_win_unit_cell_cart(f): reciprocal = (lambda a: numpy.transpose((6.28318 * numpy.linalg.inv(a)))) real_lattice = numpy.zeros(shape=(3, 3)) while ('begin unit_cell_cart' not in f.readline()): pass f.readline() for i in range(3): real_lattice[i] = parse_line_list(f.readline(), ' ', float) real_lattice = (real_lattice * 0.52917720859) return (real_lattice, reciprocal(real_lattice))
def parse_win(case_name, spinLable): ext = ('.win' + spinLable) file_name = (case_name + ext) f = open(file_name, 'r') (real_lattice, recip_lattice) = parse_win_unit_cell_cart(f) f.close() f = open(file_name, 'r') dimensions = parse_win_mp_grid(f) f.close() f = open(file_name, 'r') kpoints = parse_win_kpoints(f) f.close() return (real_lattice, recip_lattice, dimensions, kpoints)
class InputExample(object): 'A single training/test example for simple sequence classification.' def __init__(self, guid, text_a, text_b=None, label=None): 'Constructs a InputExample.\n\n Args:\n guid: Unique id for the example.\n text_a: string. The untokenized text of the first sequence. For single\n sequence tasks, only this sequence must be specified.\n text_b: (Optional) string. The untokenized text of the second sequence.\n Only must be specified for sequence pair tasks.\n label: (Optional) string. The label of the example. This should be\n specified for train and dev examples, but not for test examples.\n ' self.guid = guid self.text_a = text_a self.text_b = text_b self.label = label
class InputFeatures(object): 'A single set of features of data.' def __init__(self, input_ids, input_mask, segment_ids, label_id, valid_ids=None, label_mask=None, ori_label=None, subword=None): self.input_ids = input_ids self.input_mask = input_mask self.segment_ids = segment_ids self.label_id = label_id self.valid_ids = valid_ids self.label_mask = label_mask self.ori_label = ori_label self.subword = subword
def readfile(filename, schema='BIO', sep=' '): '\n 数据在txt中格式应该为 \n John B-PER\n Wick I-PER\n say O\n 若schema为IO, 则会强制将B改为I,若为其他,则正常读取\n ' f = open(filename) data = [] sentence = [] label = [] for line in f: if ((len(line) == 0) or line.startswith('-DOCSTART') or (line[0] == '\n')): if (len(sentence) > 0): data.append((sentence, label)) sentence = [] label = [] continue splits = line.strip().split() sentence.append(splits[0]) if ((schema == 'IO') and splits[(- 1)].startswith('B-')): label.append('I-{}'.format(splits[(- 1)][2:])) else: label.append(splits[(- 1)]) if (len(sentence) > 0): data.append((sentence, label)) sentence = [] label = [] return data
def collect_label_list(data_path, label_type='fine', sep='\t'): f = open(data_path) label_list = [] for line in f: if ((len(line) == 0) or line.startswith('-DOCSTART') or (line[0] == '\n')): continue splits = line.strip().split(sep) if (label_type == 'fine'): label = splits[(- 1)].split('-')[(- 1)] else: label = splits[(- 1)].split('-')[0] if (label not in label_list): label_list.append(label) return label_list
class DataProcessor(object): 'Base class for data converters for sequence classification data sets.' def get_examples(self, data_path): 'Gets a collection of `InputExample`s for the train set.' raise NotImplementedError() def get_labels(self): 'Gets the list of labels for this data set.' raise NotImplementedError() @classmethod def _read_file(cls, input_file, schema='BIO', sep=' ', quotechar=None): 'Reads a tab separated value file.' return readfile(input_file, schema, sep) def _create_examples(self, lines, set_type): examples = [] for (i, (sentence, label)) in tqdm(enumerate(lines), desc='Create {} examples'.format(set_type)): guid = ('%s-%s' % (set_type, i)) text_a = ' '.join(sentence) text_b = None label = label examples.append(InputExample(guid=guid, text_a=text_a, text_b=text_b, label=label)) return examples
class NerGeneralProcessor(DataProcessor): 'Processor for the general ner data set.' def get_examples(self, data_path, schema='IO', sep=' ', data_type='train', label_type='fine'): return self._create_examples(self._read_file(data_path, schema=schema, sep=sep), data_type) def get_label_map(self, dataset=''): '\n Returns a mapping dict from label to label token\n ' labels_map = {'ontonotes': {'I-CARDINAL': 'three', 'I-DATE': 'years', 'I-EVENT': 'Christmas', 'I-FAC': 'their', 'I-GPE': 'China', 'I-LANGUAGE': 'language', 'I-LAW': 'this', 'I-LOC': 'South', 'I-MONEY': 'millions', 'I-NORP': 'Arab', 'I-ORDINAL': 'second', 'I-ORG': 'Corporation', 'I-PERCENT': 'percent', 'I-PERSON': 'John', 'I-PRODUCT': 'ship', 'I-QUANTITY': 'feet', 'I-TIME': 'evening', 'I-WORK_OF_ART': 'with'}, 'conll': {'I-LOC': 'Australia', 'I-PER': 'John', 'I-ORG': 'Company', 'I-MISC': 'German'}} return labels_map[dataset]
def convert_examples_to_features(examples, label_list, max_seq_length, tokenizer): 'Loads a data file into a list of `InputBatch`s.' label_map = {label: i for (i, label) in enumerate(label_list, 0)} features = [] for (ex_index, example) in tqdm(enumerate(examples), desc='Examples2Features'): textlist = example.text_a.split(' ') labellist = example.label tokens = [] labels = [] valid = [] label_mask = [] for (i, word) in enumerate(textlist): token = tokenizer.tokenize(word) tokens.extend(token) label_1 = labellist[i] for m in range(len(token)): if (m == 0): labels.append(label_1) valid.append(1) label_mask.append(1) else: labels.append('O') valid.append(0) label_mask.append(0) if (len(tokens) >= (max_seq_length - 1)): tokens = tokens[0:(max_seq_length - 2)] labels = labels[0:(max_seq_length - 2)] valid = valid[0:(max_seq_length - 2)] label_mask = label_mask[0:(max_seq_length - 2)] ntokens = [] segment_ids = [] label_ids = [] ntokens.append('[CLS]') segment_ids.append(0) valid.insert(0, 0) label_mask.insert(0, 0) label_ids.append((- 100)) for (i, token) in enumerate(tokens): ntokens.append(token) segment_ids.append(0) if (len(labels) > i): label_ids.append(label_map[labels[i]]) else: print(labels[i]) ntokens.append('[SEP]') segment_ids.append(0) valid.append(0) label_mask.append(0) label_ids.append((- 100)) input_ids = tokenizer.convert_tokens_to_ids(ntokens) input_mask = ([1] * len(input_ids)) assert (len(label_mask) == len(input_ids)) while (len(input_ids) < max_seq_length): input_ids.append(0) input_mask.append(0) segment_ids.append(0) label_ids.append((- 100)) valid.append(1) label_mask.append(0) while (len(label_ids) < max_seq_length): label_ids.append((- 100)) label_mask.append(0) assert (len(input_ids) == max_seq_length) assert (len(input_mask) == max_seq_length) assert (len(segment_ids) == max_seq_length) assert (len(label_ids) == max_seq_length) assert (len(valid) == max_seq_length) assert (len(label_mask) == max_seq_length) features.append(InputFeatures(input_ids=input_ids, input_mask=input_mask, segment_ids=segment_ids, label_id=label_ids, valid_ids=valid, label_mask=label_mask)) return features
def convert_examples_to_features_lm(examples, label_map, max_seq_length, tokenizer, subword_map): "\n label_map = {'I-PER':'person' ......}\n \n " ori_label_map = {key: (idx + 1) for (idx, key) in enumerate(label_map.keys())} ori_label_map['O'] = 0 features = [] for (ex_index, example) in tqdm(enumerate(examples), desc='Examples2Features'): text_list = example.text_a.split(' ') label_list = example.label subword_list = [] label_token_list = [] subword_mask = [] ori_label_list = [] for (label, token) in zip(label_list, text_list): subwords = tokenizer.tokenize(token) for i in range(len(subwords)): subword_list.append(subwords[i]) if (i == 0): subword_mask.append(1) ori_label_list.append(label) if (label == 'O'): label_token_list.append(tokenizer.convert_tokens_to_ids(subwords[i])) else: label_token_list.append(tokenizer.convert_tokens_to_ids(label_map[label])) else: subword_mask.append(0) ori_label_list.append(label) if (label == 'O'): label_token_list.append(tokenizer.convert_tokens_to_ids(subwords[i])) else: label_token_list.append(tokenizer.convert_tokens_to_ids(label_map[label])) assert (len(subword_list) == len(label_token_list)) assert (len(subword_list) == len(subword_mask)) assert (len(subword_list) == len(ori_label_list)) if (len(label_token_list) >= (max_seq_length - 1)): subword_list = subword_list[:(max_seq_length - 2)] label_token_list = label_token_list[:(max_seq_length - 2)] subword_mask = subword_mask[:(max_seq_length - 2)] ori_label_list = ori_label_list[:(max_seq_length - 2)] subword_list.insert(0, '[CLS]') subword_list.append('[SEP]') label_token_list.insert(0, tokenizer.convert_tokens_to_ids('[CLS]')) label_token_list.append(tokenizer.convert_tokens_to_ids('[SEP]')) subword_mask.insert(0, 0) subword_mask.append(0) ori_label_list.insert(0, 'O') ori_label_list.append('O') input_ids = tokenizer.convert_tokens_to_ids(subword_list) label_ids = label_token_list ori_label_ids = [ori_label_map[label] for label in ori_label_list] segment_ids = ([0] * len(subword_list)) input_mask = ([1] * len(subword_list)) while (len(input_ids) < max_seq_length): input_ids.append(0) input_mask.append(0) subword_mask.append(0) segment_ids.append(0) label_ids.append((- 100)) ori_label_ids.append(0) assert (len(input_ids) == len(label_ids)) assert (len(input_ids) == len(input_mask)) assert (len(input_ids) == len(segment_ids)) assert (len(input_ids) == len(subword_mask)) assert (len(input_ids) == len(ori_label_ids)) features.append(InputFeatures(input_ids=input_ids, input_mask=input_mask, segment_ids=segment_ids, label_id=label_ids, subword=subword_mask, ori_label=ori_label_ids)) return features
def get_data_loader(train_examples, label_list, max_seq_length, tokenizer, batch_size, sampler): train_features = convert_examples_to_features(train_examples, label_list, max_seq_length, tokenizer) all_input_ids = torch.tensor([f.input_ids for f in train_features], dtype=torch.long) all_input_mask = torch.tensor([f.input_mask for f in train_features], dtype=torch.long) all_segment_ids = torch.tensor([f.segment_ids for f in train_features], dtype=torch.long) all_label_ids = torch.tensor([f.label_id for f in train_features], dtype=torch.long) all_valid_ids = torch.tensor([f.valid_ids for f in train_features], dtype=torch.long) all_lmask_ids = torch.tensor([f.label_mask for f in train_features], dtype=torch.long) train_data = TensorDataset(all_input_ids, all_input_mask, all_segment_ids, all_label_ids, all_valid_ids, all_lmask_ids) train_sampler = sampler(train_data) dataloader = DataLoader(train_data, sampler=train_sampler, batch_size=batch_size) return dataloader
def get_data_loader_lm(train_examples, label_map, max_seq_length, tokenizer, batch_size, sampler, subword_map): train_features = convert_examples_to_features_lm(train_examples, label_map, max_seq_length, tokenizer, subword_map) all_input_ids = torch.tensor([f.input_ids for f in train_features], dtype=torch.long) all_input_mask = torch.tensor([f.input_mask for f in train_features], dtype=torch.long) all_segment_ids = torch.tensor([f.segment_ids for f in train_features], dtype=torch.long) all_label_ids = torch.tensor([f.label_id for f in train_features], dtype=torch.long) all_ori_label_ids = torch.tensor([f.ori_label for f in train_features], dtype=torch.long) subword = torch.tensor([f.subword for f in train_features], dtype=torch.long) train_data = TensorDataset(all_input_ids, all_input_mask, all_segment_ids, all_label_ids, subword, all_ori_label_ids) train_sampler = sampler(train_data) dataloader = DataLoader(train_data, sampler=train_sampler, batch_size=batch_size) return dataloader
def show_topk_frac(label_token_map, k=2, filter_ratio=0.8, lm_entity_freq=None): (entity_freq, data_label_token_map) = count_entity_freq(args.raw_data_file) label_map = {} for (label_name, token_frac_dict) in label_token_map.items(): cnt = 0 if (args.sort_method == 'timesup'): if (not args.ignore_single_appear): for token in data_label_token_map[label_name].keys(): if (token not in token_frac_dict): token_frac_dict[token] = 1 sort_key = (lambda x: (x[1] * entity_freq[x[0]].get(label_name, 1.0))) else: sort_key = (lambda x: (x[1] * entity_freq[x[0]].get(label_name, 0.0))) elif (args.sort_method == 'data'): token_frac_dict = data_label_token_map[label_name] sort_key = (lambda x: x[1]) elif (args.sort_method == 'LM'): sort_key = (lambda x: x[1]) for (token, frac) in sorted(token_frac_dict.items(), key=sort_key, reverse=True): if (label_name not in label_map): label_map[label_name] = {} if ((len(token) > 1) and (token in entity_freq) and entity_freq[token]): entity_label_ratio = (entity_freq[token].get(label_name, 0) / sum(entity_freq[token].values())) if (entity_label_ratio > filter_ratio): label_map[label_name][token] = (frac, entity_freq[token]) cnt += 1 if (cnt >= k): break return label_map
def filter_is_overlap(token, label_name, label_filter, entity_label_map): if ((len(token) > 3) and (token not in label_filter) and ('##' not in token)): for (key, value) in entity_label_map.items(): if (key == label_name): continue if (token in value): return False return True else: return False
def collect_entity_token(data_path): label_map = {} with open(data_path, 'r') as f: data = f.readlines() for row in data: item = row.strip() if ((item != '') and (item != '-DOCSTART- -X- -X- O')): splits = item.split() token = splits[0] label = splits[(- 1)] if (label != 'O'): label = label[2:] if (label not in label_map): label_map[label] = [] if (token not in label_map[label]): label_map[label].append(token) return label_map
def count_entity_freq(data_path): entity_freq = collections.defaultdict(dict) label_map = collections.defaultdict(dict) with open(data_path, 'r') as f: lines = f.readlines() for line in lines: if ((len(line) < 2) or ('-DOCSTART-' in line)): continue line = line.strip().split() word = line[0] label = line[(- 1)] if (label != 'O'): label = label[2:] entity_freq[word][label] = (entity_freq[word].get(label, 0) + 1) label_map[label][word] = (label_map[label].get(word, 0) + 1) return (entity_freq, label_map)
def count_entity_freq_roberta(data_path): entity_freq = collections.defaultdict(dict) label_map = collections.defaultdict(dict) with open(data_path, 'r') as f: lines = f.readlines() first = True for line in lines: if ((len(line) < 2) or ('-DOCSTART-' in line)): first = True continue line = line.strip().split() word = line[0] label = line[(- 1)] if (not first): word = ('Ġ' + word) if (label != 'O'): label = label[2:] entity_freq[word][label] = (entity_freq[word].get(label, 0) + 1) label_map[label][word] = (label_map[label].get(word, 0) + 1) first = False return (entity_freq, label_map)
def get_lm_entity_freq(label_frac): entity_freq = collections.defaultdict(dict) for (label, token_frac_dict) in label_frac.items(): for (token, freq) in token_frac_dict.items(): entity_freq[token][label] = freq return entity_freq
def get_label_from_label_token(token_list, label_map, mode='IO'): "\n label_map = {'person':'PER',\n 'location': 'LOC'\n ...\n ...\n }\n " label_list = [] past_label = '' for i in range(len(token_list)): token = token_list[i] if (token in label_map.keys()): current_label = label_map[token] if ((mode == 'BIO') and (current_label != past_label)): label_list.append('B-{}'.format(current_label)) else: label_list.append('I-{}'.format(current_label)) else: current_label = 'O' label_list.append(current_label) past_label = current_label return label_list
def filter_item(item_list, subword_mask, input_mask): clean_item_list = [] for (item, not_subword, not_mask) in zip(item_list, subword_mask, input_mask): if (not_subword == 0): continue if (not_mask == 0): break clean_item_list.append(item) return clean_item_list
def get_label_token_from_topk(pred_ids_topk, tokenizer, label_map, seq_len=None): if (seq_len == None): seq_len = pred_ids_topk.shape[0] label_list = label_map.values() pred_token = [] for i in range(seq_len): top_k_token = tokenizer.convert_ids_to_tokens(pred_ids_topk[i][:]) for token in top_k_token: if (token in label_list): pred_token.append(token) break if (len(pred_token) == i): pred_token.append(top_k_token[0]) assert (len(pred_token) == seq_len) return pred_token
def get_label_from_ids(ori_label_ids, subword, input_mask, label_map): ori_label_map = {key: (idx + 1) for (idx, key) in enumerate(label_map.keys())} ids_label_map = {value: key for (key, value) in ori_label_map.items()} ids_label_map[0] = 'O' batch_size = ori_label_ids.shape[0] label_list = [] for i in range(batch_size): batch_label = [] for j in range(len(ori_label_ids[i])): if (subword[i][j] == 0): continue if (input_mask[i][j] == 0): break batch_label.append(ids_label_map[ori_label_ids[i][j].item()]) label_list.append(batch_label) return label_list
def get_label_from_logits(logits, label_ids, input_ids, subword, input_mask, tokenizer, label_map, k=1, mode='IO', print_topk=0): pred_ids_topk = torch.topk(logits, k=k, dim=2).indices if (print_topk > 0): (pred_value_top5, pred_ids_top5) = torch.topk(logits, k=print_topk, dim=2) pred_labels = [] pred_tokens = [] gold_tokens = [] pred_tokens_top5 = [] batch_size = label_ids.shape[0] for i in range(batch_size): gold_token = tokenizer.convert_ids_to_tokens(input_ids[i]) pred_token = get_label_token_from_topk(pred_ids_topk[i], tokenizer, label_map) gold_token = filter_item(gold_token, subword_mask=subword[i], input_mask=input_mask[i]) pred_token = filter_item(pred_token, subword_mask=subword[i], input_mask=input_mask[i]) if (print_topk > 0): pred_tokens_top5_ = [(tokenizer.convert_ids_to_tokens(word_ids), values) for (word_ids, values) in zip(pred_ids_top5[i], pred_value_top5[i])] pred_tokens_top5.append(filter_item(pred_tokens_top5_, subword_mask=subword[i], input_mask=input_mask[i])) reverse_label_map = {value: key[2:] for (key, value) in label_map.items()} pred_label = get_label_from_label_token(pred_token, reverse_label_map, mode) assert (len(gold_token) == len(pred_token)) assert (len(gold_token) == len(pred_label)) gold_tokens.append(gold_token) pred_tokens.append(pred_token) pred_labels.append(pred_label) if (print_topk > 0): return (pred_labels, pred_tokens, gold_tokens, pred_tokens_top5) else: return (pred_labels, pred_tokens, gold_tokens)
def parse_args(): parser = argparse.ArgumentParser(description='Finetune a transformers model on a text classification task (NER) with accelerate library') parser.add_argument('--dataset_name', type=str, default=None, help='The name of the dataset to use (via the datasets library).') parser.add_argument('--dataset_config_name', type=str, default=None, help='The configuration name of the dataset to use (via the datasets library).') parser.add_argument('--train_file', type=str, default=None, help='A csv or a json file containing the training data.') parser.add_argument('--validation_file', type=str, default=None, help='A csv or a json file containing the validation data.') parser.add_argument('--text_column_name', type=str, default=None, help='The column name of text to input in the file (a csv or JSON file).') parser.add_argument('--label_column_name', type=str, default=None, help='The column name of label to input in the file (a csv or JSON file).') parser.add_argument('--max_length', type=int, default=128, help='The maximum total input sequence length after tokenization. Sequences longer than this will be truncated, sequences shorter will be padded if `--pad_to_max_lenght` is passed.') parser.add_argument('--pad_to_max_length', action='store_true', help='If passed, pad all samples to `max_length`. Otherwise, dynamic padding is used.') parser.add_argument('--model_name_or_path', type=str, help='Path to pretrained model or model identifier from huggingface.co/models.', required=True) parser.add_argument('--config_name', type=str, default=None, help='Pretrained config name or path if not the same as model_name') parser.add_argument('--tokenizer_name', type=str, default=None, help='Pretrained tokenizer name or path if not the same as model_name') parser.add_argument('--per_device_train_batch_size', type=int, default=4, help='Batch size (per device) for the training dataloader.') parser.add_argument('--per_device_eval_batch_size', type=int, default=8, help='Batch size (per device) for the evaluation dataloader.') parser.add_argument('--learning_rate', type=float, default=0.0001, help='Initial learning rate (after the potential warmup period) to use.') parser.add_argument('--weight_decay', type=float, default=0.0, help='Weight decay to use.') parser.add_argument('--num_train_epochs', type=int, default=3, help='Total number of training epochs to perform.') parser.add_argument('--max_train_steps', type=int, default=None, help='Total number of training steps to perform. If provided, overrides num_train_epochs.') parser.add_argument('--gradient_accumulation_steps', type=int, default=1, help='Number of updates steps to accumulate before performing a backward/update pass.') parser.add_argument('--lr_scheduler_type', type=SchedulerType, default='linear', help='The scheduler type to use.', choices=['linear', 'cosine', 'cosine_with_restarts', 'polynomial', 'constant', 'constant_with_warmup']) parser.add_argument('--num_warmup_steps', type=int, default=0, help='Number of steps for the warmup in the lr scheduler.') parser.add_argument('--output_dir', type=str, default=None, help='Where to store the final model.') parser.add_argument('--seed', type=int, default=None, help='A seed for reproducible training.') parser.add_argument('--model_type', type=str, default=None, help='Model type to use if training from scratch.', choices=MODEL_TYPES) parser.add_argument('--label_all_tokens', action='store_true', help='Setting labels of all special tokens to -100 and thus PyTorch will ignore them.') parser.add_argument('--return_entity_level_metrics', action='store_true', help='Indication whether entity level metrics are to be returner.') parser.add_argument('--task_name', type=str, default='ner', choices=['ner', 'pos', 'chunk'], help='The name of the task.') parser.add_argument('--debug', action='store_true', help='Activate debug mode and run training only with a subset of data.') parser.add_argument('--label_schema', type=str, default='BIO') parser.add_argument('--label_list', type=str, default=None, help='Path of label list.') args = parser.parse_args() if ((args.task_name is None) and (args.train_file is None) and (args.validation_file is None)): raise ValueError('Need either a task name or a training/validation file.') else: if (args.train_file is not None): extension = args.train_file.split('.')[(- 1)] assert (extension in ['csv', 'json']), '`train_file` should be a csv or a json file.' if (args.validation_file is not None): extension = args.validation_file.split('.')[(- 1)] assert (extension in ['csv', 'json']), '`validation_file` should be a csv or a json file.' if (args.output_dir is not None): os.makedirs(args.output_dir, exist_ok=True) return args
def main(): args = parse_args() accelerator = Accelerator() logging.basicConfig(format='%(asctime)s - %(levelname)s - %(name)s - %(message)s', datefmt='%m/%d/%Y %H:%M:%S', level=logging.INFO) logger.info(accelerator.state) logger.setLevel((logging.INFO if accelerator.is_local_main_process else logging.ERROR)) if accelerator.is_local_main_process: datasets.utils.logging.set_verbosity_warning() transformers.utils.logging.set_verbosity_info() else: datasets.utils.logging.set_verbosity_error() transformers.utils.logging.set_verbosity_error() if (args.seed is not None): set_seed(args.seed) if (args.dataset_name is not None): raw_datasets = load_dataset(args.dataset_name, args.dataset_config_name) else: data_files = {} if (args.train_file is not None): data_files['train'] = args.train_file if (args.validation_file is not None): data_files['validation'] = args.validation_file extension = args.train_file.split('.')[(- 1)] raw_datasets = load_dataset(extension, data_files=data_files) if args.debug: for split in raw_datasets.keys(): raw_datasets[split] = raw_datasets[split].select(range(100)) if (raw_datasets['train'] is not None): column_names = raw_datasets['train'].column_names features = raw_datasets['train'].features else: column_names = raw_datasets['validation'].column_names features = raw_datasets['validation'].features if (args.text_column_name is not None): text_column_name = args.text_column_name elif ('tokens' in column_names): text_column_name = 'tokens' else: text_column_name = column_names[0] if (args.label_column_name is not None): label_column_name = args.label_column_name elif (f'{args.task_name}_tags' in column_names): label_column_name = f'{args.task_name}_tags' else: label_column_name = column_names[1] def get_label_list(labels): with open(args.label_list, 'r') as f: label_list = [l.strip() for l in f.readlines()] return label_list if isinstance(features[label_column_name].feature, ClassLabel): label_list = features[label_column_name].feature.names label_to_id = {i: i for i in range(len(label_list))} else: label_list = get_label_list(raw_datasets['train'][label_column_name]) label_to_id = {l: i for (i, l) in enumerate(label_list)} num_labels = len(label_list) if args.config_name: config = AutoConfig.from_pretrained(args.config_name, num_labels=num_labels) elif args.model_name_or_path: config = AutoConfig.from_pretrained(args.model_name_or_path, num_labels=num_labels) else: config = CONFIG_MAPPING[args.model_type]() logger.warning('You are instantiating a new config instance from scratch.') tokenizer_name_or_path = (args.tokenizer_name if args.tokenizer_name else args.model_name_or_path) if (not tokenizer_name_or_path): raise ValueError('You are instantiating a new tokenizer from scratch. This is not supported by this script.You can do it from another script, save it, and load it from here, using --tokenizer_name.') if (config.model_type in {'gpt2', 'roberta'}): tokenizer = AutoTokenizer.from_pretrained(tokenizer_name_or_path, use_fast=True, add_prefix_space=True) else: tokenizer = AutoTokenizer.from_pretrained(tokenizer_name_or_path, use_fast=True, do_lower_case=False) if args.model_name_or_path: model = AutoModelForTokenClassification.from_pretrained(args.model_name_or_path, from_tf=bool(('.ckpt' in args.model_name_or_path)), config=config) else: logger.info('Training new model from scratch') model = AutoModelForTokenClassification.from_config(config) model.resize_token_embeddings(len(tokenizer)) padding = ('max_length' if args.pad_to_max_length else False) def tokenize_and_align_labels(examples): tokenized_inputs = tokenizer(examples[text_column_name], max_length=args.max_length, padding=padding, truncation=True, is_split_into_words=True) labels = [] ori_labels = [] for (i, label) in enumerate(examples[label_column_name]): word_ids = tokenized_inputs.word_ids(batch_index=i) previous_word_idx = None label_ids = [] ori_label_ids = [] for word_idx in word_ids: if (word_idx is None): label_ids.append((- 100)) ori_label_ids.append((- 100)) elif (word_idx != previous_word_idx): ori_label_ids.append(label_to_id[label[word_idx]]) label_ids.append(label_to_id[(('I-' + label[word_idx][2:]) if (label[word_idx] != 'O') else label[word_idx])]) else: ori_label_ids.append((label_to_id[label[word_idx]] if args.label_all_tokens else (- 100))) label_ids.append((label_to_id[(('I-' + label[word_idx][2:]) if (label[word_idx] != 'O') else label[word_idx])] if args.label_all_tokens else (- 100))) previous_word_idx = word_idx labels.append(label_ids) ori_labels.append(ori_label_ids) tokenized_inputs['labels'] = labels tokenized_inputs['ori_labels'] = ori_labels return tokenized_inputs processed_raw_datasets = raw_datasets.map(tokenize_and_align_labels, batched=True, remove_columns=raw_datasets['train'].column_names, desc='Running tokenizer on dataset') train_dataset = processed_raw_datasets['train'] eval_dataset = processed_raw_datasets['validation'] for index in random.sample(range(len(train_dataset)), 3): logger.info(f'Sample {index} of the training set: {train_dataset[index]}.') if args.pad_to_max_length: data_collator = default_data_collator else: data_collator = DataCollatorForLMTokanClassification(tokenizer, pad_to_multiple_of=(8 if accelerator.use_fp16 else None)) train_dataloader = DataLoader(train_dataset, shuffle=True, collate_fn=data_collator, batch_size=args.per_device_train_batch_size) eval_dataloader = DataLoader(eval_dataset, collate_fn=data_collator, batch_size=args.per_device_eval_batch_size) no_decay = ['bias', 'LayerNorm.weight'] optimizer_grouped_parameters = [{'params': [p for (n, p) in model.named_parameters() if (not any(((nd in n) for nd in no_decay)))], 'weight_decay': args.weight_decay}, {'params': [p for (n, p) in model.named_parameters() if any(((nd in n) for nd in no_decay))], 'weight_decay': 0.0}] optimizer = AdamW(optimizer_grouped_parameters, lr=args.learning_rate) device = accelerator.device model.to(device) (model, optimizer, train_dataloader, eval_dataloader) = accelerator.prepare(model, optimizer, train_dataloader, eval_dataloader) num_update_steps_per_epoch = math.ceil((len(train_dataloader) / args.gradient_accumulation_steps)) if (args.max_train_steps is None): args.max_train_steps = (args.num_train_epochs * num_update_steps_per_epoch) else: args.num_train_epochs = math.ceil((args.max_train_steps / num_update_steps_per_epoch)) lr_scheduler = get_scheduler(name=args.lr_scheduler_type, optimizer=optimizer, num_warmup_steps=args.num_warmup_steps, num_training_steps=args.max_train_steps) metric = load_metric('seqeval') def switch_to_BIO(labels): past_label = 'O' labels_BIO = [] for label in labels: if (label.startswith('I-') and ((past_label == 'O') or (past_label[2:] != label[2:]))): labels_BIO.append(('B-' + label[2:])) else: labels_BIO.append(label) past_label = label return labels_BIO def get_labels(predictions, references, tokens): if (device.type == 'cpu'): y_pred = predictions.detach().clone().numpy() y_true = references.detach().clone().numpy() x_tokens = tokens.detach().clone().numpy() else: y_pred = predictions.detach().cpu().clone().numpy() y_true = references.detach().cpu().clone().numpy() x_tokens = tokens.detach().cpu().clone().tolist() true_predictions = [[label_list[p] for (p, l) in zip(pred, gold_label) if (l != (- 100))] for (pred, gold_label) in zip(y_pred, y_true)] if (args.label_schema == 'IO'): true_predictions = list(map(switch_to_BIO, true_predictions)) true_labels = [[label_list[l] for (p, l) in zip(pred, gold_label) if (l != (- 100))] for (pred, gold_label) in zip(y_pred, y_true)] ori_tokens = [[tokenizer.convert_ids_to_tokens(t) for (p, l, t) in zip(pred, gold_label, token) if (l != (- 100))] for (pred, gold_label, token) in zip(y_pred, y_true, x_tokens)] return (true_predictions, true_labels, ori_tokens) def compute_metrics(): results = metric.compute() if args.return_entity_level_metrics: final_results = {} for (key, value) in results.items(): if isinstance(value, dict): for (n, v) in value.items(): final_results[f'{key}_{n}'] = v else: final_results[key] = value return final_results else: return {'precision': results['overall_precision'], 'recall': results['overall_recall'], 'f1': results['overall_f1'], 'accuracy': results['overall_accuracy']} total_batch_size = ((args.per_device_train_batch_size * accelerator.num_processes) * args.gradient_accumulation_steps) logger.info('***** Running training *****') logger.info(f' Num examples = {len(train_dataset)}') logger.info(f' Num Epochs = {args.num_train_epochs}') logger.info(f' Instantaneous batch size per device = {args.per_device_train_batch_size}') logger.info(f' Total train batch size (w. parallel, distributed & accumulation) = {total_batch_size}') logger.info(f' Gradient Accumulation steps = {args.gradient_accumulation_steps}') logger.info(f' Total optimization steps = {args.max_train_steps}') progress_bar = tqdm(range(args.max_train_steps), disable=(not accelerator.is_local_main_process)) completed_steps = 0 best_metric = (- 1) for epoch in range(args.num_train_epochs): model.train() for (step, batch) in enumerate(train_dataloader): ori_labels = batch.pop('ori_labels') outputs = model(**batch) loss = outputs.loss loss = (loss / args.gradient_accumulation_steps) accelerator.backward(loss) if (((step % args.gradient_accumulation_steps) == 0) or (step == (len(train_dataloader) - 1))): optimizer.step() lr_scheduler.step() optimizer.zero_grad() progress_bar.update(1) completed_steps += 1 if (completed_steps >= args.max_train_steps): break model.eval() start = time.time() token_list = [] y_true = [] y_pred = [] for (step, batch) in enumerate(eval_dataloader): labels = batch.pop('ori_labels') with torch.no_grad(): outputs = model(**batch) predictions = outputs.logits.argmax(dim=(- 1)) token_labels = batch.pop('input_ids') if (not args.pad_to_max_length): predictions = accelerator.pad_across_processes(predictions, dim=1, pad_index=(- 100)) labels = accelerator.pad_across_processes(labels, dim=1, pad_index=(- 100)) token_labels = accelerator.pad_across_processes(token_labels, dim=1, pad_index=(- 100)) predictions_gathered = accelerator.gather(predictions) labels_gathered = accelerator.gather(labels) token_labels_gathered = accelerator.gather(token_labels) (preds, refs, tokens) = get_labels(predictions_gathered, labels_gathered, token_labels_gathered) token_list.extend(tokens) y_true.extend(refs) y_pred.extend(preds) metric.add_batch(predictions=preds, references=refs) eval_metric = compute_metrics() print('Decoding time: {}'.format((time.time() - start))) for key in eval_metric.keys(): if (('f1' in key) and ('overall' not in key)): label = key[:(- 3)] print('{}: {}, {}: {}, {}: {}, {}: {}'.format((label + '_precision'), eval_metric[(label + '_precision')], (label + '_recall'), eval_metric[(label + '_recall')], (label + '_f1'), eval_metric[(label + '_f1')], (label + '_number'), eval_metric[(label + '_number')])) label = 'overall' print('{}: {}, {}: {}, {}: {}, {}: {}'.format((label + '_precision'), eval_metric[(label + '_precision')], (label + '_recall'), eval_metric[(label + '_recall')], (label + '_f1'), eval_metric[(label + '_f1')], (label + '_accuracy'), eval_metric[(label + '_accuracy')])) if ((best_metric == (- 1)) or (best_metric['overall_f1'] < eval_metric['overall_f1'])): best_metric = eval_metric with open(os.path.join(args.output_dir, 'predictions.txt'), 'w') as f: for i in range(len(y_true)): for j in range(len(y_true[i])): f.write(f'''{token_list[i][j]} {y_true[i][j]} {y_pred[i][j]} ''') f.write('\n') print('Finish training, best metric: ') print(best_metric) if (args.output_dir is not None): accelerator.wait_for_everyone() unwrapped_model = accelerator.unwrap_model(model) unwrapped_model.save_pretrained(args.output_dir, save_function=accelerator.save) tokenizer.save_pretrained(args.output_dir)
class DataCollatorForLMTokanClassification(DataCollatorForTokenClassification): def __call__(self, features): label_name = ('label' if ('label' in features[0].keys()) else 'labels') labels = ([feature[label_name] for feature in features] if (label_name in features[0].keys()) else None) ori_labels = ([feature['ori_labels'] for feature in features] if ('ori_labels' in features[0].keys()) else None) batch = self.tokenizer.pad(features, padding=self.padding, max_length=self.max_length, pad_to_multiple_of=self.pad_to_multiple_of, return_tensors=('pt' if (labels is None) else None)) if (labels is None): return batch sequence_length = torch.tensor(batch['input_ids']).shape[1] padding_side = self.tokenizer.padding_side if (padding_side == 'right'): batch['labels'] = [(label + ([self.label_pad_token_id] * (sequence_length - len(label)))) for label in labels] batch['ori_labels'] = [(label + ([self.label_pad_token_id] * (sequence_length - len(label)))) for label in ori_labels] else: batch['labels'] = [(([self.label_pad_token_id] * (sequence_length - len(label))) + label) for label in labels] batch['ori_labels'] = [(([self.label_pad_token_id] * (sequence_length - len(label))) + label) for label in ori_labels] batch = {k: torch.tensor(v, dtype=torch.int64) for (k, v) in batch.items()} return batch
def sample_data(data_path, output_path, k=10): with open(data_path, 'r') as f: few_shot_data = [] label_cnt_dict = {} data = f.readlines() random.shuffle(data) for row in data: item = eval(row) label = item['label'] if (len(label) <= 10): continue is_add = True temp_cnt_dict = {} for l in label: if l.startswith('B-'): if (l not in temp_cnt_dict): temp_cnt_dict[l] = 0 temp_cnt_dict[l] += 1 if (l not in label_cnt_dict): label_cnt_dict[l] = 0 if ((label_cnt_dict[l] + temp_cnt_dict[l]) > k): is_add = False if (len(temp_cnt_dict) == 0): is_add = False if is_add: few_shot_data.append(item) for key in temp_cnt_dict.keys(): label_cnt_dict[key] += temp_cnt_dict[key] with open(output_path, 'w') as wf: for row in few_shot_data: json.dump(row, wf) wf.write('\n') return label_cnt_dict