final prediction error (cross-entropy loss) of the next token.
is just a grid of random numbers. Typically, it is initialized using a technique like Xavier/Glorot or Kaiming (He) initialization
Encoding Decoding within Transformer
- You have an input matrix
(token embeddings). - You multiply
by
to get the Value vectors:
. - Meanwhile,
produces Queries (
), and
produces Keys (
).
During the forward pass:
- The model calculates the attention scores:
. - It multiplies these scores by
:
. - This output passes through feed-forward networks and normalization layers.
- Finally, it produces a probability distribution over the entire vocabulary for the next token.
Crucially:
determines what information is actually extracted from the input tokens and passed forward. If the model is wrong about the next token,
shares the blame.
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There are some predetermined Hyperparameters for every model
Training an LLM has many steps
In AI training, the “heap” or corpus refers to the massive dataset (often petabytes of text) stored in memory/storage. it is countless
unique sequences of words found in real-world sentences.
Let’s assume we have have a trillion sentences such as:
1. I love to eat pizza with extra cheese on top
2. I love to eat burgers with extra ketchup
3. On top of the pizza is extra cheese
4. Cheese and burgers go well together
They are batched
when we fetch the embeddings from vocabulary we create dynamic data tensor \(H\) (for Hidden State/Activations)
Input Matrix X.- Word Embeddings Shape:
[Batch Size, Sequence Length, Hidden Dimension] - Positional Encodings Shape:
[Sequence Length, Hidden Dimension](automatically broadcasted across the batch) - Final Matrix H₀ Shape:
[Batch Size, Sequence Length, Hidden Dimension]
- The Vocabulary (Embedding Matrix) is Static: The dictionary containing the vectors for every word (like “pizza”, “cheese”, “burgers”) is a fixed weight matrix. It does not change during the forward pass. [1, 2, 3]
- The Tensor H₀ is Dynamic: Every time you pass a new batch of text into the model, the layout of integers changes. Because you are fetching different word vectors and stacking them in a unique order every single time, the resulting tensor H₀ is completely dynamic.
and we want to train our model.
When you feed these into a GPT-style model, they are called sequences (or input sequences). The model is trained via a process
called Causal Language Modeling (CLM) or Autoregressive training.
They go through a pipeline
Tokenization in Large Language Models (LLMs) is the process of breaking raw text into smaller, manageable chunks called tokens.
cl100k_base used for GPT-4) is exactly 10 tokens.I→ ID:40love→ ID:3021to→ ID:311eat→ ID:3964pizza→ ID:12313with→ ID:449extra→ ID:4360cheese→ ID:14081on→ ID:389top→ ID:2503
[40, 3021, 311, 3964, 12313, 449, 4360, 14081, 389, 2503] when your tokenizer sees the word "I", it literally does a hash-map lookup and returns the integer 42.
Therefore, your 1D tensor for Sentence 1:
["I", "love", "to", "eat", "pizza", "with", "extra", "cheese", "on", "top"]
…becomes this exact 1D tensor (array) of indexes:
[42, 847, 336, 562, 789, 234, 901, 112, 456, 321]
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If this 1d Tensor of indexes enters the Transformer the goal is to predict next Token after each set of preceding tokens in the sequence, I the model never does math with the raw integer token IDs such as Instead, the very first operation the model performs is called an Embedding Lookup.
Modern nuance (BPE): For example, in the GPT-4 tokenizer, the word The integers themselves don’t help at all. In fact, using the raw integer The integers are just door keys. Their only job is to instantly fetch a giant list of floating-point numbers (called an embedding vector) from a massive lookup table.
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During training, we group multiple sequences together into a single batch.
Instead of processing Sentence 1, updating the weights, then processing Sentence 2, we do this:
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PackingDuring language-model pretraining, documents may be separated by an end-of-document or end-of-text token and concatenated into fixed-length token blocks. The boundary token is sometimes also designated as the model’s end-of-sequence token, although these are conceptually different roles. Packing reduces or eliminates padding and increases useful-token throughput. In some systems, ordinary causal attention (Causal Mask Matrix) is retained, so later documents can technically attend to earlier packed documents. Where padding is still usedFine-tuning (Supervised Tuning): When you fine-tune on a specific dataset (like instruction-following data), the datasets are much smaller. Engineers usually use Dynamic Padding—they take a batch, find the longest sequence within that specific batch, and pad the shorter ones to match. This is easier to implement and still reasonably efficient.
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BatchingDuring training, we group multiple sequences together into a single batch.
Instead of processing Sentence 1, updating the weights, then processing Sentence 2, we do this:
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Packing while batchingDuring language-model pretraining, documents may be separated by an end-of-document or end-of-text token and concatenated into fixed-length token blocks. The boundary token is sometimes also designated as the model’s end-of-sequence token, although these are conceptually different roles. Packing reduces or eliminates padding and increases useful-token throughput. In some systems, ordinary causal attention is retained, so later documents can technically attend to earlier packed documents. Other systems apply document-level or block-diagonal attention masks that prevent attention across document boundaries. The EOT, EOD or EOS token alone does not impose that restriction; the attention mask does. Where padding is still usedFine-tuning (Supervised Tuning): When you fine-tune on a specific dataset (like instruction-following data), the datasets are much smaller. Engineers usually use Dynamic Padding—they take a batch, find the longest sequence within that specific batch, and pad the shorter ones to match. This is easier to implement and still reasonably efficient.
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AttentionAttention is not a single number, it is a matrix;
The Complete Forward Pass Visualized
To see exactly how data moves forward through a single Attention Layer, here is the mathematical sequence from start to finish:
What Happens in the Backward Pass?
\(W_{O}\) stands for the Output Weight Matrix. It is a matrix of learnable parameters (weights) that the model trains during backpropagation.
Why is it Necessary? (The Multi-Head Problem)
In Multi-Head Attention, the model does not just run the attention formula once. It splits the Queries, Keys, and Values into multiple “heads” (for example, 8 or 12 heads) and runs the forward pass on all of them in parallel.
The Role of \(W_{O}\)
The Output Matrix \(W_{O}\) performs two critical jobs in the forward pass immediately after attention is calculated:
The Complete Multi-Head Equation
In the official Transformer architecture, this is where \(W_{O}\) sits mathematically:
\(\text{MultiHead}(Q,K,V)=\text{Concat}(\text{head}_{1},\text{head}_{2},\dots ,\text{head}_{h})\mathbf{W}_{\mathbf{O}}\)
Without \(W_{O}\), a multi-head model cannot pass its data to the next layer because the matrix dimensions would be broken.
\(X\) is exactly \(H_{0}\) when you are looking at the very first layer of the Transformer.
To make the math perfectly consistent across the whole network, researchers use a general symbol (\(X\)) for the input matrix, but its actual identity changes depending on which layer you are currently looking at:
The Generalized Formula
If you look at any arbitrary layer in the model (let’s call it Layer \(l\)), the projection phase during the forward path is formally written like this:
\(Q=H_{l-1}W_{Q},\quad K=H_{l-1}W_{K},\quad V=H_{l-1}W_{V}\)
This reveals the elegant, repeating nature of the Transformer: every single layer runs the exact same mathematical forward path, simply taking the dynamic tensor activation from the previous floor and using its own unique weight matrices to project it into a brand new set of Queries, Keys, and Values.
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Gemini:
Next-Token Prediction: The model reads billions of text sequences and repeatedly guesses the next token. [1, 2]
You have an input matrix \(X\), which contains the token embedding.
1. Linear Projections
Multiplying \(X\) by \(W_{v}\) produces the Value vectors:
\(V=X\cdot W_{v}\) Multiplying \(X\) by \(W_{q}\) produces the Query vectors:
\(Q=X\cdot W_{q}\) Multiplying \(X\) by \(W_{k}\) produces the Key vectors:
\(K=X\cdot W_{k}\) 2. Raw Attention Scores
The model calculates the raw, unmasked attention scores by checking how well every query matches every key. For a sequence of length \(N\), this produces an \(N \times N\) matrix:
\(\text{Raw\ Scores}=\frac{Q\cdot K^{T}}{\sqrt{d_{k}}}\) (Note: \(\sqrt{d_{k}}\) is the standard scaling factor used to prevent gradients from exploding. The square root of the number of dimensions. ). 3. Injecting the Causal Mask Matrix (\(M\))
This is where the Causal Mask Matrix (\(M\)) is applied. \(M\) is an \(N \times N\) matrix defined as:
\(M_{ij}=\begin{cases}0&\text{if\ }i\ge j\quad \text{(past\ and\ current\ tokens)}\\ -\infty &\text{if\ }i<j\quad \text{(future\ tokens)}\end{cases}\) The model adds the causal mask matrix directly to the raw attention scores:
\(\text{Masked\ Scores}=\left(\frac{Q\cdot K^{T}}{\sqrt{d_{k}}}\right)+M\) Because any number added to \(-\infty \) becomes \(-\infty \), all future token positions in the grid are instantly driven to negative infinity. [1]
4. The Softmax Step
The model applies the Softmax function to the masked scores which are unnormalized log-probabilities (AI people call logits):
\(\text{attention weights (or alignment matrix)}=\text{Softmax}\left(\left(\frac{Q\cdot K^{T}}{\sqrt{d_{k}}}\right)+M\right)\) Because \(e^{-\infty} = 0\), the mathematical output of the Softmax layer forces the attention weight for all future tokens to be exactly 0 and for the previous tokens assigns a probability that is a little more for the right token
When future tokens are zeroed out, the Softmax function must still distribute a total probability sum of 1.0 across the remaining allowed tokens. [1]
5. Calculating Layer Output
It multiplies these safely blocked attention scores by the Value vectors:
\(\text{Layer\ Output}=\text{Attention}\cdot V\) To complete the mathematical definition of Attention, these weights must be multiplied by the Value matrix (V): [1, 2]
𝑂raw =\(\text{Attention}(Q,K,V)=\text{Softmax}\left(\frac{Q\cdot K^{T}}{\sqrt{d_{k}}}+M\right)V\)
Because the future tokens have an attention weight of 0, zero information from \(W_{v}\) or \(X\) for future words can leak into the current token’s representation.
This output passes through feed-forward networks and normalization layers.
\(W_{O}\) is a matrix of static weights (parameters). The input to layer 2 is the tensor of dynamic data (activations) produced after multiplying by \(W_{O}\) and passing through a few final steps. [1, 2]
Here is the exact distinction of how the data flows from Layer 1 to Layer 2:
If we look at the math, the output of the attention mechanism is a data matrix \(O_{\text{raw}}\). We multiply this data by the weights \(W_{O}\) to project it:
\(\text{Projected\ Data}=O_{\text{raw}}\cdot W_{O}\)
This “Projected Data” contains the actual token representations.
The Final Steps Before Layer 2
Before this data can enter Layer 2, a standard Transformer block passes it through two more structural components within Layer 1:
Finally, the model produces a probability distribution over the entire vocabulary and predicts the next token cleanly, without cheating (looking on future tokens).
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| An LLM answers your question by treating it as a fill-in-the-blank exercise. It doesn’t search for the answer; it writes what it believes is the most statistically perfect continuation of your sentence, based on everything it has ever read.
An LLM doesn’t “think,” “reason,” or “look up” the answer like a search engine. Instead, it treats your entire question as the opening of a story, and its only job is to predict the very next word that should come after it. It does this over and over again, one word at a time, until the story feels complete. Here is the step-by-step breakdown of how that works: 1. Tokenization (Turning words into math) 2. Contextualization (The “Attention” step)
3. The Probability Distribution (The big bet) It calculates a probability score for every single token in its entire vocabulary (usually 50,000 to 100,000 words/pieces) to determine which one is most likely to come next. At this exact moment, the model’s internal math looks something like this:
4. Selection and Recursion (The loop) Now, the model adds “Paris” to the end of your original question. Its new input becomes: It runs the entire process again, from scratch, on this new, longer sequence. Now it predicts the next token after “Paris”:
It outputs “.”. The input becomes: It runs again. Now, it predicts there is a 99.9% chance the next token is “[End-of-Text]”, signaling that the answer is complete. It stops. The Magic: Where does the “knowledge” come from? This raises the obvious question: How does the math know that “Paris” has an 85% probability? Because during its training, the LLM read billions of pages of text. It never “memorized” the fact that Paris is the capital of France. Instead, it adjusted its internal math (those billions of weights) so that whenever the pattern The Big Catch: Why it sometimes fails Because it is just predicting text patterns, not retrieving facts:
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Let’s use the architectural similar to a standard model like ChatGPT:
with 100 layers, at first we have 100 Wq, 100 Wk, 100 Wv filled with different random numbers. Wq1 will remain a random set of numbers, not learning anything, until backpropagation are complete and Wq2 is updated and we reach to Wq1. Following the strict rule: \(\text{2 Heads} \times \text{4 Dimensions Each} = \text{8 Total Dimension Size}\). The math balances perfectly, so we can use standard square matrices without any compression tricks.
Step 1: The Input Tensor (
[3, 8])We have our 3 tokens (
"I", "love", "to"). Each token is represented by exactly 8 random floating-point numbers looked up from the model’s starting vocabulary grid.
Use code with caution.
Step 2: The Model’s Brain (The 8 × 8 Permanent Weight Matrices)Because our embedding size is 8, the model’s permanent internal weight layers are perfectly square grids of 8 rows by 8 columns.
The GPU multiplies our input tensor by these three permanent parameter grids to generate three new full-sized matrices of shape
[3, 8]:
the exact formula is \(Q = X W_q\).
In this equation, \(X\) represents your input tensor, and \(W_{q}\) represents the permanent Query weight matrix.
1. Shape the Input
2. Configure the Weights
3. Multiply the Matrices
The mathematical operation to generate your Query matrix is \(Q = X W_q\), which multiplies your \([3, 8]\) input sequence by the permanent \([8, 8]\) weight grid to yield the final \([3, 8]\) Seeker matrix.T
The Query vector (\(Q\)) searches through all the available Keys (\(K\)) to see which tokens have the information it needs
Let’s assume the random matrix multiplications output these numbers:
Matrix A (The Seeker Vectors==Query Vector)
Matrix B (The Label Vectors==Key Vector)
Matrix C (The Meaning Vectors==Value Vector)
Step 3: The Head Slicing (4 Columns per Head)The GPU now executes the slicing hyperparameter. It takes those 8-column wide matrices and slices them cleanly down the middle into 2 independent heads, each getting exactly 4 columns.
text
Use code with caution.
Step 4: Tracing Head 1’s Math for Index 2 (“to”)
Let’s see how the GPU core running Head 1 calculates relationship scores for Index 2. It takes the Seeker Slice for “to”
[0.4, 0.2, -0.5, 0.1] and dot-multiplies it (cross-multiply and sum) against all Labels:
The GPU computes all rows simultaneously, generating Head 1’s raw matching grid:
Use code with caution.
Step 5: Causal Mask and Softmax (Enforcing the Timeline)
The causal mask matrix instantly overwrites future positions with \(-\infty \). Then, Softmax converts the row vectors into clean focus percentages that sum up to 1.0. For our row at Index 2, the math yields:
Use code with caution.
Step 6: Blending Head 1’s Meanings
The GPU core blends Head 1’s Meaning Slices together using those focus percentages:
\(\text{Head\ 1\ Output}_{2}=(0.40\times \text{Meaning}_{0})+(0.26\times \text{Meaning}_{1})+(0.34\times \text{Meaning}_{2})\) \(\text{Head\ 1\ Output}_{2}=0.40\times [1.0,-0.5,0.2,0.6]+0.26\times [0.0,1.2,-0.4,0.1]+0.34\times [0.4,0.1,0.8,-0.3]\) Let’s execute the addition coordinate-by-coordinate:
\(\text{Head\ 1\ Output\ Vector}_{2}=[0.536,0.146,0.248,0.164]\)
Step 7: Concatenation Stitching (Rebuilding the 8 Highway)
While Head 1 calculated that 4-dimensional array for Index 2, Head 2 was running its own slice data on a separate core and produced its own 4-dimensional vector—let’s say it calculated
[-0.088, 0.412, 0.901, -0.334].To exit the attention mechanism, the model strings the two halves together side-by-side:
text
This 8-dimensional array is written directly back into Index 2 of the layer’s final output tensor. Because the horizontal slicing rule matches perfectly (\(\text{2 heads} \times \text{4 dimensions} = \text{8}\)), the output is already the exact right width to hit the network’s main highway without needing an extra projection matrix step.
Now that you have traced the cleanest possible version of the attention pipeline, would you like to see how multi-head attention differs from the next major block in the layer—the Feed-Forward Network (FFN)?
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During training with transformer model, we never feed just a 1D tensor. We wrap it into a 2D tensor (a matrix) of shape
[Batch_Size, Sequence_Length]—which is basically an array of arrays—so the GPU can process all your 4 sentences at the exact same time in parallel.The placement of words in that 4,000-dimensional space is entirely unsupervised (or more precisely, self-supervised). Here is the radical reality: No human teacher, no dictionary, and no labeled dataset tells the model where to place “pizza” or “burgers.” The model figures out the coordinates entirely by itself, simply by reading billions of sentences. Here is exactly how this unsupervised placement happens in practice: 1. The “Gravity” of Context (The Distributional Hypothesis)The model operates on a single, ruthless rule: “Words that appear in the exact same contexts must be placed near each other.”
2. How the 4,000 Dimensions get “Carved Up”Because no one is labeling the data, the model uses those 4,000 dimensions as free parameters to encode any pattern it finds useful. Over time, the unsupervised process naturally dedicates different dimensions to different hidden features:
The model invents these categories on its own. It doesn’t name them; it just mathematically organizes them to minimize future prediction errors. 3. The “Cold Start” (Initial Randomness vs. Final Order)To be perfectly accurate: The initial placement is random. The unsupervised training process is like a giant, 4,000-dimensional game of Gravity and Repulsion:
4. The Crucial Modern Twist: Subword UnsupervisionBecause modern models use BPE (Byte-Pair Encoding), this unsupervised placement even happens for fake, non-words. If your tokenizer splits To sum it up in one sentence:
Here is what is actually happening inside the computer at that exact millisecond: Step 1: The Prediction (The Guesses)The model has processed It looks like this:
Step 2: The Target (The “Perfect” Answer)The computer knows the correct next word from your heap is So, it creates a “perfect” target vector called a One-Hot Encoding:
Step 3: The Loss (Measuring “How Wrong” the guess is)Now we have two numbers for “pizza”: The Loss Function (often called Cross-Entropy Loss, though here simplified to a basic subtraction) calculates the error:
That 0.6 is the “Magnitude of Wrongness.”
Step 4: The Derivative (The “Direction” to turn the dials)This is the magic step. The model doesn’t just care that it was wrong; it needs to know which way to turn the dials to make that 0.6 smaller next time. The derivative is simply the mathematical “slope” of that error.
Step 5: Tweaking the Weights (Turning the Dials)Now we get to the weights—these are the 7+ billion internal dials (numbers) inside the neural network. The computer takes that derivative (slope) and multiplies it by a tiny number called the Learning Rate (e.g., 0.001).
A crucial correction to the simplified math:In actual modern AI, we don’t simply do Why? Because if the model guessed 0.01 (1% confidence), To sum it up like a human coach:
That 0.4 does not magically appear. It is the result of a specific mathematical “squeeze” function called Softmax. Here is exactly where the 0.4 comes from, step-by-step: Step 1: The Raw Output (Logits)The output of a transformer before the softmax layer consists of unnormalized log-probabilities which AI people call logits. After the model processes For the sake of this example, let’s say the model outputs a raw score for just these two words:
Notice a problem? These numbers are not probabilities. They are just arbitrary floating-point numbers. They could be Step 2: The Softmax Converts Unnormalized log-probabilities to ProbabilitiesThe model immediately passes that giant list of raw scores through a function called Softmax. The Softmax function does two specific things to those raw numbers:
Step 3: The Math in ActionLet’s do the math for just “pizza” and “burgers” to see how 0.4 and 0.3 appear. The raw scores (logits) were:
First, exponentiate them:
Second, divide each by the total sum (12.18 + 9.02 = 21.20):
(Note: In my original simplified example, I used 0.4 and 0.3 just to make the subtraction easy. The real math above gives 0.57 and 0.42.) Why does the model output 0.4 for pizza and 0.3 for burgers specifically?Because the neural network looked at the context
Why is the logit for pizza slightly higher (2.5 vs 2.2)? So, the 0.4 you asked about is literally just:
In Summary: The exact pipeline to get 0.4
So, to directly answer: 0.4 comes from the Softmax function violently compressing the network’s arbitrary raw math (which could be anything from -infinity to +infinity) into a clean, readable probability that sums to 100% across all guesses.
Here is exactly how we get from the 4,000 numbers down to that single logit number: Step 1: The Hidden State (4,000 numbers)When the model processes This 4,000-number vector is the model’s “mathematical understanding” of the entire phrase Step 2: The Output Weight Matrix (50,000 × 4,000)The model has a giant final layer called the LM Head (Language Model Head). This is just a massive matrix of weights.
Inside this matrix, the row dedicated to the word Step 3: The Dot Product (Getting 1 number)To get the raw logit for
The math looks like this: When you multiply and add all 4,000 pairs together, the result collapses into a single number. Step 4: Repeat for all wordsThe computer does this exact same dot product for every single row in the 50,000 × 4,000 matrix:
The final output is a 1D tensor (array) of 50,000 logits—one single number per word in the vocabulary. The Big Picture Summary:
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Loss and Gradients in a Neural NetworkThe loss is calculated at the final output layer. However, gradients are calculated for every trainable parameter in every layer in the backward propagation, all the way back through the network. To understand why, we must separate the calculation of the loss from the distribution of the gradient. 1. Where Is the Loss Calculated?The loss is calculated at the end of the network, after the model produces its final output. For next-token prediction, the model compares:
This comparison is usually performed using cross-entropy loss. Crucially: You do not normally calculate a separate loss for Layer 3, Layer 4, or each attention head. The network produces one overall loss value for the forward pass or training batch.
2. Where Are the Gradients Calculated?This is where backpropagation enters the process. Although the overall loss is produced at the output, calculus—particularly the chain rule—is used to distribute responsibility for that loss backward through every operation performed by the model. Therefore, gradients are calculated for every trainable parameter: \[ \frac{\partial L}{\partial W} \] They are calculated in reverse order:
“` “` Thus, every trainable matrix receives its own gradient, but all these gradients ultimately originate from the same overall loss. The Train AnalogyImagine a 100-car train representing a 100-layer neural network.
“` “` Every car calculates its own adjustment, but all the adjustments originate from the error measured at the final destination. The Mathematical Reality: The Chain RuleSuppose the network contains layers \(1\) through \(N\). The gradient for a weight matrix in an early layer is calculated by multiplying the relevant derivatives along the entire computational path: \[ \frac{\partial L}{\partial W_1} = \frac{\partial L}{\partial H_N} \cdot \frac{\partial H_N}{\partial H_{N-1}} \cdot \frac{\partial H_{N-1}}{\partial H_{N-2}} \cdots \frac{\partial H_2}{\partial H_1} \cdot \frac{\partial H_1}{\partial W_1} \] Here:
The gradient for Layer 1 therefore contains the loss gradient multiplied by the derivatives of all the later operations. The loss is not recalculated at Layer 1. Instead, information about how Layer 1 affected the loss is mathematically propagated backward. How This Applies to the Value MatrixIn an attention layer, the value vectors are calculated as: \[ V = XW_V \] During backpropagation, the model calculates: \[ \frac{\partial L}{\partial W_V} \] Using the chain rule, this gradient depends on:
Therefore, \(W_V\) receives a specific gradient representing how changing it would have changed the final loss. Residual ConnectionsTransformer layers contain residual connections. A simplified residual operation is: \[ H_{\text{out}} = H_{\text{in}} + F(H_{\text{in}}) \] During backpropagation, the gradient can travel through both paths:
This provides a relatively direct route for gradient information and helps reduce the vanishing-gradient problem in deep transformer networks. Auxiliary LossesSome neural-network architectures use auxiliary losses, also called:
For example, a model might calculate additional loss terms at intermediate layers: \[ L_{\text{total}} = L_{\text{final}} + \lambda_1 L_{\text{auxiliary-1}} + \lambda_2 L_{\text{auxiliary-2}} \] The coefficients \(\lambda_1\) and \(\lambda_2\) determine how strongly the auxiliary losses influence training. Auxiliary losses may be introduced to:
However, the basic transformer-training principle remains the same: the primary language-model loss is produced from the model’s output predictions, and backpropagation calculates gradients for all trainable parameters that contributed to those predictions. Summary Table“““
Core Principle
The loss does not need to be recalculated separately inside every layer. Through the chain rule, the single computational graph connects the output loss to all parameters that influenced it, allowing each parameter to receive its own unique gradient. |
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