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From Immediate to Prediction: Understanding Prefill, Decode, and the KV Cache in LLMs

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April 20, 2026
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From Immediate to Prediction: Understanding Prefill, Decode, and the KV Cache in LLMs
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Within the earlier article, we noticed how a language mannequin converts logits into possibilities and samples the following token. However the place do these logits come from?

On this tutorial, we take a hands-on method to know the era pipeline:

  • How the prefill part processes your complete immediate in a single parallel go
  • How the decode part generates tokens separately utilizing beforehand computed context
  • How the KV cache eliminates redundant computation to make decoding environment friendly

By the top, you’ll perceive the two-phase mechanics behind LLM inference and why the KV cache is important for producing lengthy responses at scale.

Let’s get began.

From Immediate to Prediction: Understanding Prefill, Decode, and the KV Cache in LLMs
Photograph by Neda Astani. Some rights reserved.

Overview

This text is split into three components; they’re:

  • How Consideration Works Throughout Prefill
  • The Decode Part of LLM Inference
  • KV Cache: The way to Make Decode Extra Environment friendly

How Consideration Works Throughout Prefill

Think about the immediate:

At this time’s climate is so …

As people, we are able to infer the following token needs to be an adjective, as a result of the final phrase “so” is a setup. We additionally understand it most likely describes climate, so phrases like “good” or “heat” are extra doubtless than one thing unrelated like “scrumptious“.

Transformers arrive on the similar conclusion via consideration. Throughout prefill, the mannequin processes the whole immediate in a single ahead go. Each token attends to itself and all tokens earlier than it, build up a contextual illustration that captures relationships throughout the complete sequence.

The mechanism behind that is the scaled dot-product consideration formulation:

$$
textual content{Consideration}(Q, Okay, V) = mathrm{softmax}left(frac{QK^high}{sqrt{d_k}}proper)V
$$

We are going to stroll via this concretely beneath.

To make the eye computation traceable, we assign every token a scalar worth representing the knowledge it carries:

Place Tokens Values
1 At this time 10
2 climate 20
3 is 1
4 so 5

Phrases like “is” and “so” carry much less semantic weight than “At this time” or “climate“, and as we’ll see, consideration naturally displays this.

Consideration Heads

In actual transformers, consideration weights are steady values discovered throughout coaching via the $Q$ and $Okay$ dot product. The habits of consideration heads are discovered and normally inconceivable to explain. No head is hardwired to “attend to even positions”. The 4 guidelines beneath are simplified illustration to make consideration mechanism extra intuitive, whereas the weighted aggregation over $V$ is similar.

Listed here are the principles in our toy instance:

  1. Attend to tokens at even quantity positions
  2. Attend to the final token
  3. Attend to the primary token
  4. Attend to each token

For simplicity on this instance, the outputs from these heads are then mixed (averaged).

Let’s stroll via the prefill course of:

At this time

  1. Even tokens → none
  2. Final token → At this time → 10
  3. First token → At this time → 10
  4. All tokens → At this time → 10

climate

  1. Even tokens → climate → 20
  2. Final token → climate → 20
  3. First token → At this time → 10
  4. All tokens → common(At this time, climate) → 15

is

  1. Even tokens → climate → 20
  2. Final token → is → 1
  3. First token → At this time → 10
  4. All tokens → common(At this time, climate, is) → 10.33

so

  1. Even tokens → common(climate, so) → 12.5
  2. Final token → so → 5
  3. First token → At this time → 10
  4. All tokens → common(At this time, climate, is, so) → 9

Parallelizing Consideration

If the immediate contained 100,000 tokens, computing consideration step-by-step could be extraordinarily gradual. Fortuitously, consideration could be expressed as tensor operations, permitting all positions to be computed in parallel.

That is the important thing concept of prefill part in LLM inference: While you present a immediate, there are a number of tokens in it and they are often processed in parallel. Such parallel processing helps velocity up the response time for the primary token generated.

To stop tokens from seeing future tokens, we apply a causal masks, to allow them to solely attend to itself and earlier tokens.

import torch

 

tokens = [“Today”, “weather”, “is”, “so”]

n = len(tokens)

d_k = 64

 

V = torch.tensor([[10.], [20.], [1.], [5.]], dtype=torch.float32)

positions = torch.arange(1, n + 1).float() # 1-based: [1, 2, 3, 4]

idx = torch.arange(n)

 

causal_mask = idx.unsqueeze(1) >= idx.unsqueeze(0)

print(causal_mask)

Output:

tensor([[ True, False, False, False],

        [ True, True, False, False],

        [ True, True, True, False],

        [ True, True, True, True]])

Now, we are able to begin writing the “guidelines” for the 4 consideration heads.

Reasonably than computing scores from discovered $Q$ and $Okay$ vectors, we handcraft them on to match our 4 consideration guidelines. Every head produces a rating matrix of form (n, n), with one rating per query-key pair, which will get masked and handed via softmax to provide consideration weights:

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def selector(situation, measurement):

    “”“Return a (measurement, d_k) tensor of +1/-1 relying on situation.”“”

    val = torch.the place(situation, torch.ones(

        measurement), –torch.ones(measurement))  # (measurement,)

    # (measurement, d_k)

    return val.unsqueeze(1).increase(measurement, d_k).contiguous()

 

# Shared question: each row asks for a property, and Okay encodes which tokens match it.

Q = torch.ones(n, d_k)

 

# Head 1: choose even positions

# Okay says whether or not every token is at an excellent place.

K1 = selector(positions % 2 == 0, n)

scores1 = (Q @ K1.T) / (d_k ** 0.5)

 

# Head 2: choose the final token

# Okay says whether or not every token is the final one.

K2 = selector(positions == n, n)

scores2 = (Q @ K2.T) / (d_k ** 0.5)

 

# Head 3: choose the primary token

# Okay says whether or not every token is the primary one.

K3 = selector(positions == 1, n)

scores3 = (Q @ K3.T) / (d_k ** 0.5)

 

# Head 4: choose all seen tokens uniformly

# Okay says all of the tokens

K4 = selector(positions == positions, n)

scores4 = (Q @ K4.T) / (d_k ** 0.5)

 

# Stack all head rating matrices: form (4, n, n)

scores = torch.stack([scores1, scores2, scores3, scores4], dim=0)

 

# Apply causal masks so place i can solely attend to positions <= i

scores = scores.masked_fill(~causal_mask.unsqueeze(0), –1e9)

 

# Convert logits to consideration weights

weights = torch.softmax(scores, dim=–1)

 

# Non-obligatory safeguard for totally masked rows

all_masked = (scores <= –1e4).all(dim=–1, keepdim=True)

weights = torch.the place(all_masked, torch.zeros_like(weights), weights)

 

# Compute contexts: (heads, n, n) @ (n, 1) -> (heads, n, 1)

contexts = (weights @ V).squeeze(–1)

 

print(“Contexts by consideration head (rows) x token place (columns):n”, contexts)

 

context4 = contexts[:, –1]

print(“nContext for closing immediate place:n”, context4)

Output:

Contexts by consideration heads (rows) x token place (columns):

tensor([[10.0000, 20.0000, 20.0000, 12.5000],

        [10.0000, 15.0000, 10.3333,  5.0000],

        [10.0000, 10.0000, 10.0000, 10.0000],

        [10.0000, 15.0000, 10.3333,  9.0000]])

 

Context for closing immediate place:

tensor([12.5000,  5.0000, 10.0000,  9.0000])

The results of this step known as a context vector, which represents a weighted abstract of all earlier tokens.

From contexts to logits

Every consideration head has discovered to choose up on completely different patterns within the enter. Collectively, the 4 context values [12.5, 5.0, 10.0, 9.0] kind a abstract of what “At this time’s climate is so…” represents. It is going to then venture to a matrix, which every column encodes how sturdy a given vocabulary is related to every consideration head’s sign, to provide logit rating per phrase.

...

logits = context @ W_vocab

For our instance, let’s say we’ve got “good”, “heat”, and “scrumptious” within the vocab:

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...

vocab = [“nice”, “warm”, “delicious”]

 

# Every column corresponds to a vocab phrase

# Every row corresponds to at least one consideration head characteristic

W_vocab = torch.tensor([

    [0.8, 0.6, 0.1], # head 1 weights → good, heat, scrumptious

    [0.5, 0.4, 0.2], # head 2 weights

    [0.1, 0.2, 0.5], # head 3 weights

    [0.2, 0.3, 0.1], # head 4 weights

]) # form: (4, 3)

 

logits = context4 @ W_vocab # (4,) @ (4, 3) → (3,)

 

for phrase, logit in zip(vocab, logits):

    print(f“{phrase:10s} {logit.merchandise():.3f}”)

```

So the logits for “good” and “heat” are a lot increased than “scrumptious”.

good       15.300

heat       14.200

scrumptious  8.150

The Decode Part of LLM Inference

Now suppose the mannequin generates the following token: “good“. The duty is now to generate the following token with the prolonged immediate:

At this time’s climate is so good …

The primary 4 phrases within the prolonged immediate are the identical as the unique immediate. And now we’ve got the fifth phrase within the immediate.

Throughout decode, we don’t recompute consideration for all earlier tokens because the outcome could be the identical. As a substitute, we compute consideration just for the brand new token to avoid wasting time and compute sources. This produces a single new consideration row.

new_token = “good”

tokens = tokens + [new_token]

new_value = torch.tensor([[7.0]]) # worth of “good” is 7

V = torch.cat([V, new_value], dim=0)

n = len(tokens)

idx = torch.arange(n)

pos = torch.arange(1, n + 1).float() # [1, 2, 3, 4, 5]

 

print(“New tokens: “, tokens)

print(“New Values: “, V)

Output:

New tokens:  [‘Today’, ‘weather’, ‘is’, ‘so’, ‘nice’]

New Values:  tensor([[10.],

        [20.],

        [ 1.],

        [ 5.],

        [ 7.]])

Now, we apply the 4 consideration heads and compute the brand new context vector:

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# Rebuild all Okay matrices for the following token (n=5)

# We are going to introduce KV-cache later

K1_new = selector(pos % 2 == 0, n)   # even positions → +1

K2_new = selector(pos == n,     n)   # final token     → +1

K3_new = selector(pos == 1,     n)   # first token    → +1

K4_new = selector(pos == pos,   n)   # all tokens     → +1

 

# Throughout decode, solely compute Q for the NEW token (one row)

Q_new = torch.ones(1, d_k)

 

scores1_new = (Q_new @ K1_new.T) / (d_k ** 0.5)  # (1, 5)

scores2_new = (Q_new @ K2_new.T) / (d_k ** 0.5)  # (1, 5)

scores3_new = (Q_new @ K3_new.T) / (d_k ** 0.5)  # (1, 5)

scores4_new = (Q_new @ K4_new.T) / (d_k ** 0.5)  # (1, 5)

 

# Stack: form (4, 1, 5)

new_scores = torch.stack(

    [scores1_new, scores2_new, scores3_new, scores4_new], dim=0)

 

# No causal masks wanted — new token can see all earlier tokens by definition

new_weights = torch.softmax(new_scores, dim=–1)  # (4, 1, 5)

 

context5 = (new_weights @ V).squeeze()           # (4,)

 

print(“Seen tokens:”, tokens)

print(“Context for brand spanking new token place:n”, context5)

Output:

Seen tokens: [‘Today’, ‘weather’, ‘is’, ‘so’, ‘nice’]

Context for brand spanking new token place:

tensor([12.5000, 7.0000, 10.0000, 8.6000])

Nonetheless, in contrast to prefill the place the whole immediate is processed in parallel, decoding should generate tokens separately (autoregressively) as a result of the long run tokens haven’t but been generated. With out caching, each decode step would recompute keys and values for all earlier tokens from scratch, making the whole work throughout all decode steps $O(n^2)$ in sequence size. KV cache reduces this to $O(n)$ by computing every token’s $Okay$ and $V$ precisely as soon as.

KV Cache: The way to Make Decode Extra Environment friendly

To make the autoregressive docoding environment friendly, we are able to retailer the keys ($Okay$) and values ($V$) for each token individually for every consideration head. On this simplified instance we’d use just one cache. Then, throughout decoding, when a brand new token is generated, the mannequin doesn’t recompute keys and values for all earlier tokens. It computes the question for the brand new token, and attends to the cached keys and values from earlier tokens.

If we take a look at the earlier code once more, we are able to see that there isn’t any must recompute $Okay$ for the whole tensor:

K1_new = selector(pos % 2 == 0, n) # even positions → +1

As a substitute, we are able to merely compute Okay for the brand new place, and fix it to the Okay matrix we’ve got already computed and saved in cache:

K1_new = selector(new_pos % 2 == 0, 1) # is pos 5 even? → -1

K1_cache = torch.cat([K1, K1_new], dim=0) # (4→5, d_k)

Right here’s the complete code for decode part utilizing KV cache:

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# In decode we solely compute the question for the NEW token (place 5).

new_pos = pos[–1:]  # tensor([5.])

 

# Compute ONLY the brand new token’s key for every head

K1_new = selector(new_pos % 2 == 0, 1)   # is pos 5 even?  → -1

K2_new = selector(new_pos == n,      1)   # is pos 5 final?  → +1

K3_new = selector(new_pos == 1,      1)   # is pos 5 first? → -1

K4_new = selector(new_pos == new_pos, 1)   # at all times          → +1

 

# Append new key to the cached prefill keys

K1_cache = torch.cat([K1, K1_new], dim=0)  # (4→5, d_k)

K2[–1] = –torch.ones(d_k)          # place 4 is not final

K2_cache = torch.cat([K2, K2_new], dim=0)

K3_cache = torch.cat([K3, K3_new], dim=0)

K4_cache = torch.cat([K4, K4_new], dim=0)

 

# Q is just for the brand new token

Q_dec = torch.ones(1, d_k)

 

scores1_dec = (Q_dec @ K1_cache.T) / (d_k ** 0.5)

scores2_dec = (Q_dec @ K2_cache.T) / (d_k ** 0.5)

scores3_dec = (Q_dec @ K3_cache.T) / (d_k ** 0.5)

scores4_dec = (Q_dec @ K4_cache.T) / (d_k ** 0.5)

 

# Stack → (4 heads × 1 question × n keys)

scores_dec = torch.stack([scores1_dec, scores2_dec, scores3_dec, scores4_dec], dim=0)

 

# Softmax over key dimension

weights_dec = torch.softmax(scores_dec, dim=–1)

 

# Edge case: all-masked rows → zero context (similar guard as prefill)

all_masked_dec = (scores_dec <= –1e4).all(dim=–1, keepdim=True)

weights_dec = torch.the place(all_masked_dec, torch.zeros_like(weights_dec), weights_dec)

 

# Context vectors: (4 × 1 × n) @ (n × 1) → (4 × 1 × 1) → squeeze → (4,)

contexts_dec = (weights_dec @ V).squeeze(–1).squeeze(–1)

 

print(“nDecode context for ‘good’ (one worth per head):n”, contexts_dec)

Output:

Decode context for ‘good’ (one worth per head):

tensor([12.5000, 6.0000, 10.0000, 8.6000])

Discover that is an identical to the outcome we computed with out the cache. KV cache doesn’t change what the mannequin computes, but it surely eliminates redundant computations.

KV cache is completely different from the cache in different utility that the item saved isn’t changed however up to date. Each new token added to the immediate appends a brand new row to the tensor saved. Implementing a KV cache that may effectively replace the tensor is the important thing to make LLM inference sooner.

Additional Readings

Beneath are some sources that you could be discover helpful:

Abstract

On this article, we walked via the 2 phases of LLM inference. Throughout prefill, the complete immediate is processed in a single parallel ahead go and the keys and values for each token are computed and saved. Throughout decode, the mannequin generates one token at a time, utilizing solely the brand new token’s question in opposition to the cached keys and values to keep away from redundant recomputation. Prefill warms up the KV cache and decode updates it. Quicker prefill means sooner you see the primary token within the response and sooner decode means sooner you see the remainder of the response. Collectively, these two phases clarify why LLMs can course of lengthy prompts rapidly however generate output token by token, and why KV cache is important for making that era sensible at scale.

Tags: cacheDecodeLLMspredictionPrefillpromptUnderstanding
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