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Module 8 · Attention · train3.py · ~25 min

8.4 Causal masking & the KV cache

When you predict the next letter of a name, the letters after it don’t exist yet. A GPT must never peek at the future, not even during training. microgpt enforces that rule with a list that only ever grows.

1Watch

microgpt reads a name one token at a time. At each position it makes this token’s key and value and appends them to two lists, the KV cache. Then the token’s query attends over the cache.

Because the cache only contains tokens seen so far, position 3 can attend to positions 0 to 3 and nothing else. That’s causal masking for free: the triangle shape in every heatmap. A nice consequence is that adding letters to the end never changes what earlier positions computed. Your lab checks exactly that.

Why “masking”? Big GPTs read the whole name at once, for speed, so they hide the future with a mask: future scores are set to −∞, which softmax turns into 0%. microgpt reads one token at a time, so the future simply isn’t in the list yet. Same rule, no mask needed.

The same cache makes generating text fast: each new letter only computes its own key and value instead of redoing the whole name. (Your lab’s reader is given an rmsnorm, which you build in 8.5, so it sees exactly what the real model sees.)

2Explore

Loading the trained model…

3Build

One blank in read(name, head): after computing this token’s query, append its key and value to the cache. Use the same pattern as q, with the key and value matrices and the same [s:e] slice, so each head keeps only its own 4 numbers. The lab checks head 1 and head 3 against the real model.

Below it you’re given read_cheating, which makes every key and value of the whole name first. Run the lab and compare: your reader’s early rows don’t change when “em” grows to “emma”, but the cheater’s do. The future leaked in. That is what the cache prevents.

import json, math

# The real microgpt after 1,000 training steps (same weights the widgets use).
M = json.load(open("microgpt-trained.json"))
W, UCHARS = M["weights"], M["uchars"]
BOS = len(UCHARS)

def linear(x, w):  # microgpt line 94
    return [sum(wi * xi for wi, xi in zip(row, x)) for row in w]

def softmax(z):  # lesson 6.4
    m = max(z)
    e = [math.exp(v - m) for v in z]
    t = sum(e)
    return [v / t for v in e]


def rmsnorm(x):  # given here; you build it in lesson 8.5
    ms = sum(v * v for v in x) / len(x)
    return [v * (ms + 1e-5) ** -0.5 for v in x]


def attend(q, keys, values):  # lesson 8.3
    # assert cond, message: carry on if cond is True, otherwise stop with message
    assert keys, ("the cache is empty, so there is nothing to attend to yet: append this "
                  "token's key and value first (the TODO in read)")
    scores = [sum(qi * ki for qi, ki in zip(q, k)) / math.sqrt(len(q)) for k in keys]
    weights = softmax(scores)
    return [sum(w * v[j] for w, v in zip(weights, values)) for j in range(len(values[0]))], weights


# Read a name one token at a time. Each new token adds its key and value to
# the cache, then attends over everything cached so far - never the future.
def read(name, head=0):
    tokens = [BOS] + [UCHARS.index(c) for c in name]  # .index(c) = where c sits in UCHARS: its token id
    keys, values = [], []                            # the KV cache, empty at the start
    all_weights, outputs = [], []
    s, e = head * 4, head * 4 + 4                    # this head's 4 numbers
    for pos, tok in enumerate(tokens):  # enumerate gives (0, first), (1, second), ...: position and item
        x = [t + p for t, p in zip(W['wte'][tok], W['wpe'][pos])]
        x = rmsnorm(rmsnorm(x))  # exactly as microgpt does before attention (lines 112, 117)
        q = linear(x, W['layer0.attn_wq'])[s:e]
        # TODO: append this token's key and value to the cache (same pattern as q,
        # with W['layer0.attn_wk'] and W['layer0.attn_wv'], and the same [s:e] slice)
        out, weights = attend(q, keys, values)
        all_weights.append(weights)
        outputs.append(out)
    return all_weights, outputs


# Given, for comparison: a reader that CHEATS. It makes the keys and values of
# the WHOLE name first, then lets every position attend over all of them,
# future letters included. This is exactly what the cache prevents.
def read_cheating(name, head=0):
    tokens = [BOS] + [UCHARS.index(c) for c in name]
    s, e = head * 4, head * 4 + 4
    xs = [rmsnorm(rmsnorm([t + p for t, p in zip(W['wte'][tok], W['wpe'][pos])]))
          for pos, tok in enumerate(tokens)]
    keys = [linear(x, W['layer0.attn_wk'])[s:e] for x in xs]
    values = [linear(x, W['layer0.attn_wv'])[s:e] for x in xs]
    all_weights, outputs = [], []
    for x in xs:
        out, weights = attend(linear(x, W['layer0.attn_wq'])[s:e], keys, values)
        all_weights.append(weights)
        outputs.append(out)
    return all_weights, outputs


# No peeking? Read "em", then "emma". The first 3 rows (., e, m) should not change.
def biggest_change(reader):
    short, _ = reader('em')
    longer, _ = reader('emma')
    biggest = 0.0
    for r1, r2 in zip(short, longer):
        for a, b in zip(r1, r2):
            biggest = max(biggest, abs(a - b))  # abs(x) drops the sign: abs(-0.3) is 0.3
    return biggest


weights, _ = read('emma')
for pos, w in enumerate(weights):
    print('.emma'[pos], [round(x, 2) for x in w])
print('biggest change to the first 3 rows when "em" grows to "emma":')
print('  read          ', round(biggest_change(read), 4))
print('  read_cheating ', round(biggest_change(read_cheating), 4), ' <- the future leaked in')

4Check yourself

1. At position 3, the KV cache holds keys for…
2. Predict: you extend “em” to “emma”. Does the attention at the “m” (position 2) change?
3. Why does the cache make generation faster?

5Unlocked in microgpt

Line 161 creates a fresh, empty cache (keys, values = …) for each name. Lines 121 and 122, which you met in 8.2, append to it. The training loop then feeds tokens one position at a time, exactly like your read().

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microgpt.py106 / 175 lines learned
1"""
2The most atomic way to train and run inference for a GPT in pure, dependency-free Python.
3This file is the complete algorithm.
4Everything else is just efficiency.
5
6@karpathy
7"""
8
9import os # os.path.exists
10import math # math.log, math.exp
11import random # random.seed, random.choices, random.gauss, random.shuffle
12random.seed(42) # Let there be order among chaos
13
14# Let there be a Dataset `docs`: list[str] of documents (e.g. a list of names)
15if not os.path.exists('input.txt'):
16 import urllib.request
17 names_url = 'https://raw.githubusercontent.com/karpathy/makemore/988aa59/names.txt'
18 urllib.request.urlretrieve(names_url, 'input.txt')
19docs = [line.strip() for line in open('input.txt') if line.strip()]
20random.shuffle(docs)
21print(f"num docs: {len(docs)}")
22
23# Let there be a Tokenizer to translate strings to sequences of integers ("tokens") and back
24uchars = sorted(set(''.join(docs))) # unique characters in the dataset become token ids 0..n-1
25BOS = len(uchars) # token id for a special Beginning of Sequence (BOS) token
26vocab_size = len(uchars) + 1 # total number of unique tokens, +1 is for BOS
27print(f"vocab size: {vocab_size}")
28
29# Let there be Autograd to recursively apply the chain rule through a computation graph
30class Value:
31 __slots__ = ('data', 'grad', '_children', '_local_grads') # Python optimization for memory usage
32
33 def __init__(self, data, children=(), local_grads=()):
34 self.data = data # scalar value of this node calculated during forward pass
35 self.grad = 0 # derivative of the loss w.r.t. this node, calculated in backward pass
36 self._children = children # children of this node in the computation graph
37 self._local_grads = local_grads # local derivative of this node w.r.t. its children
38
39 def __add__(self, other):
40 other = other if isinstance(other, Value) else Value(other)
41 return Value(self.data + other.data, (self, other), (1, 1))
42
43 def __mul__(self, other):
44 other = other if isinstance(other, Value) else Value(other)
45 return Value(self.data * other.data, (self, other), (other.data, self.data))
46
47 def __pow__(self, other): return Value(self.data**other, (self,), (other * self.data**(other-1),))
48 def log(self): return Value(math.log(self.data), (self,), (1/self.data,))
49 def exp(self): return Value(math.exp(self.data), (self,), (math.exp(self.data),))
50 def relu(self): return Value(max(0, self.data), (self,), (float(self.data > 0),))
51 def __neg__(self): return self * -1
52 def __radd__(self, other): return self + other
53 def __sub__(self, other): return self + (-other)
54 def __rsub__(self, other): return other + (-self)
55 def __rmul__(self, other): return self * other
56 def __truediv__(self, other): return self * other**-1
57 def __rtruediv__(self, other): return other * self**-1
58
59 def backward(self):
60 topo = []
61 visited = set()
62 def build_topo(v):
63 if v not in visited:
64 visited.add(v)
65 for child in v._children:
66 build_topo(child)
67 topo.append(v)
68 build_topo(self)
69 self.grad = 1
70 for v in reversed(topo):
71 for child, local_grad in zip(v._children, v._local_grads):
72 child.grad += local_grad * v.grad
73
74# Initialize the parameters, to store the knowledge of the model
75n_layer = 1 # depth of the transformer neural network (number of layers)
76n_embd = 16 # width of the network (embedding dimension)
77block_size = 16 # maximum context length of the attention window (note: the longest name is 15 characters)
78n_head = 4 # number of attention heads
79head_dim = n_embd // n_head # derived dimension of each head
80matrix = lambda nout, nin, std=0.08: [[Value(random.gauss(0, std)) for _ in range(nin)] for _ in range(nout)]
81state_dict = {'wte': matrix(vocab_size, n_embd), 'wpe': matrix(block_size, n_embd), 'lm_head': matrix(vocab_size, n_embd)}
82for i in range(n_layer):
83 state_dict[f'layer{i}.attn_wq'] = matrix(n_embd, n_embd)
84 state_dict[f'layer{i}.attn_wk'] = matrix(n_embd, n_embd)
85 state_dict[f'layer{i}.attn_wv'] = matrix(n_embd, n_embd)
86 state_dict[f'layer{i}.attn_wo'] = matrix(n_embd, n_embd)
87 state_dict[f'layer{i}.mlp_fc1'] = matrix(4 * n_embd, n_embd)
88 state_dict[f'layer{i}.mlp_fc2'] = matrix(n_embd, 4 * n_embd)
89params = [p for mat in state_dict.values() for row in mat for p in row] # flatten params into a single list[Value]
90print(f"num params: {len(params)}")
91
92# Define the model architecture: a function mapping tokens and parameters to logits over what comes next
93# Follow GPT-2, blessed among the GPTs, with minor differences: layernorm -> rmsnorm, no biases, GeLU -> ReLU
94def linear(x, w):
95 return [sum(wi * xi for wi, xi in zip(wo, x)) for wo in w]
96
97def softmax(logits):
98 max_val = max(val.data for val in logits)
99 exps = [(val - max_val).exp() for val in logits]
100 total = sum(exps)
101 return [e / total for e in exps]
102
103def rmsnorm(x):
104 ms = sum(xi * xi for xi in x) / len(x)
105 scale = (ms + 1e-5) ** -0.5
106 return [xi * scale for xi in x]
107
108def gpt(token_id, pos_id, keys, values):
109 tok_emb = state_dict['wte'][token_id] # token embedding
110 pos_emb = state_dict['wpe'][pos_id] # position embedding
111 x = [t + p for t, p in zip(tok_emb, pos_emb)] # joint token and position embedding
112 x = rmsnorm(x) # note: not redundant due to backward pass via the residual connection
113
114 for li in range(n_layer):
115 # 1) Multi-head Attention block
116 x_residual = x
117 x = rmsnorm(x)
118 q = linear(x, state_dict[f'layer{li}.attn_wq'])
119 k = linear(x, state_dict[f'layer{li}.attn_wk'])
120 v = linear(x, state_dict[f'layer{li}.attn_wv'])
121 keys[li].append(k)
122 values[li].append(v)
123 x_attn = []
124 for h in range(n_head):
125 hs = h * head_dim
126 q_h = q[hs:hs+head_dim]
127 k_h = [ki[hs:hs+head_dim] for ki in keys[li]]
128 v_h = [vi[hs:hs+head_dim] for vi in values[li]]
129 attn_logits = [sum(q_h[j] * k_h[t][j] for j in range(head_dim)) / head_dim**0.5 for t in range(len(k_h))]
130 attn_weights = softmax(attn_logits)
131 head_out = [sum(attn_weights[t] * v_h[t][j] for t in range(len(v_h))) for j in range(head_dim)]
132 x_attn.extend(head_out)
133 x = linear(x_attn, state_dict[f'layer{li}.attn_wo'])
134 x = [a + b for a, b in zip(x, x_residual)]
135 # 2) MLP block
136 x_residual = x
137 x = rmsnorm(x)
138 x = linear(x, state_dict[f'layer{li}.mlp_fc1'])
139 x = [xi.relu() for xi in x]
140 x = linear(x, state_dict[f'layer{li}.mlp_fc2'])
141 x = [a + b for a, b in zip(x, x_residual)]
142
143 logits = linear(x, state_dict['lm_head'])
144 return logits
145
146# Let there be Adam, the blessed optimizer and its buffers
147learning_rate, beta1, beta2, eps_adam = 0.01, 0.85, 0.99, 1e-8
148m = [0.0] * len(params) # first moment buffer
149v = [0.0] * len(params) # second moment buffer
150
151# Repeat in sequence
152num_steps = 1000 # number of training steps
153for step in range(num_steps):
154
155 # Take single document, tokenize it, surround it with BOS special token on both sides
156 doc = docs[step % len(docs)]
157 tokens = [BOS] + [uchars.index(ch) for ch in doc] + [BOS]
158 n = min(block_size, len(tokens) - 1)
159
160 # Forward the token sequence through the model, building up the computation graph all the way to the loss
161 keys, values = [[] for _ in range(n_layer)], [[] for _ in range(n_layer)]
162 losses = []
163 for pos_id in range(n):
164 token_id, target_id = tokens[pos_id], tokens[pos_id + 1]
165 logits = gpt(token_id, pos_id, keys, values)
166 probs = softmax(logits)
167 loss_t = -probs[target_id].log()
168 losses.append(loss_t)
169 loss = (1 / n) * sum(losses) # final average loss over the document sequence. May yours be low.
170
171 # Backward the loss, calculating the gradients with respect to all model parameters
172 loss.backward()
173
174 # Adam optimizer update: update the model parameters based on the corresponding gradients
175 lr_t = learning_rate * (1 - step / num_steps) # linear learning rate decay
176 for i, p in enumerate(params):
177 m[i] = beta1 * m[i] + (1 - beta1) * p.grad
178 v[i] = beta2 * v[i] + (1 - beta2) * p.grad ** 2
179 m_hat = m[i] / (1 - beta1 ** (step + 1))
180 v_hat = v[i] / (1 - beta2 ** (step + 1))
181 p.data -= lr_t * m_hat / (v_hat ** 0.5 + eps_adam)
182 p.grad = 0
183
184 print(f"step {step+1:4d} / {num_steps:4d} | loss {loss.data:.4f}", end='\r')
185
186# Inference: may the model babble back to us
187temperature = 0.5 # in (0, 1], control the "creativity" of generated text, low to high
188print("\n--- inference (new, hallucinated names) ---")
189for sample_idx in range(20):
190 keys, values = [[] for _ in range(n_layer)], [[] for _ in range(n_layer)]
191 token_id = BOS
192 sample = []
193 for pos_id in range(block_size):
194 logits = gpt(token_id, pos_id, keys, values)
195 probs = softmax([l / temperature for l in logits])
196 token_id = random.choices(range(vocab_size), weights=[p.data for p in probs])[0]
197 if token_id == BOS:
198 break
199 sample.append(uchars[token_id])
200 print(f"sample {sample_idx+1:2d}: {''.join(sample)}")
this lessonlearnedKarpathy’s original
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