doi.bio/esm3/esm3.esm3.full9
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ESM3 reasons over the sequence, structure, and function of proteins
This sentence is about a computer program called ESM3, which is designed to analyze and understand proteins. Proteins are important molecules in our bodies that perform many functions, such as building and repairing tissues, transporting molecules, and catalyzing chemical reactions. ESM3 uses complex algorithms to study the sequence (the order of amino acids that make up the protein), structure (the 3D shape of the protein), and function (what the protein does in the body) of proteins. This information can be used to better understand diseases and develop new treatments.
This sentence is describing a model that uses three different types of data, called modalities, and combines them into a single space within the model. The modalities are represented by tokens, which are like symbols or units of data. These tokens are input into the model and then output as separate tracks, which means they are processed separately but still connected to the overall model. Finally, the separate tracks are fused together into a single latent space, which is a hidden layer within the model that combines all the information from the different modalities. This allows the model to make more accurate predictions or decisions based on the combined data.
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ESM3 is trained with a generative masked language modeling objective:
A random mask $m$ is applied to the tokens $x$ describing the protein, and the model is supervised to predict the identity of the tokens that have been masked
The sentence is describing a process called "masked language modeling" which is used to train a model called ESM3. The model is being trained to predict the identity of certain tokens (words or phrases) that have been randomly masked (hidden) in a description of a protein. The goal is to help the model learn how to understand and describe proteins more accurately.
During training, the mask is sampled from a noise schedule so that ESM3 sees many different combinations of masked sequence, structure, and function, and predicts completions of any combination of the modalities from any other
During training, the mask is randomly selected from a set of noisy data, which allows the ESM3 model to learn from a variety of different combinations of masked sequences, structures, and functions. This helps the model to accurately predict the completion of any combination of modalities from any other.
This differs from the classical masked language modeling (28) in that the supervision is applied across all possible masking rates rather than a single fixed masking rate
This supervision factorizes the probability distribution over all possible predictions of the next token given any combination of previous tokens, ensuring that tokens can be generated in any order from any starting point (29-31)
This sentence is about a technique called "supervision" that helps generate text in a flexible way. It means that the probability of predicting the next word in a sentence is calculated based on all possible combinations of previous words. This allows the system to generate text in any order, starting from any point. The numbers 29-31 refer to the specific pages in a research paper where this technique is discussed in more detail.
To generate from ESM3, tokens are iteratively sampled
Starting from a sequence of all mask tokens, tokens can be sampled one at a time, or in parallel, in any order, until all tokens are fully unmasked (Fig
This sentence is describing a process where a sequence of tokens (which are like building blocks of language) are being revealed or "unmasked" one at a time or in parallel (meaning multiple tokens can be revealed at the same time). The order in which the tokens are revealed doesn't matter, as long as all of them are eventually revealed. The process is illustrated in a figure called Fig.
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ESM3's training objective is also effective for representation learning
We choose a noise schedule that balances generative capabilities with representation learning (Appendix A
The sentence is discussing a process where a noise schedule is being selected. The goal of this selection is to find a balance between two things: generative capabilities and representation learning. The details of this process can be found in Appendix A.
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Tokenization enables efficient reasoning over structure
Tokenization is a process of breaking down a sentence or a document into smaller units called tokens. These tokens can be words, phrases, or even individual characters. By tokenizing a text, it becomes easier to analyze and understand its structure. This can be useful in various applications such as natural language processing, where the goal is to extract meaning from human language. Efficient reasoning over structure means that once the text is tokenized, it can be analyzed more quickly and accurately, allowing for faster and more effective processing of the information contained within it.
Protein structures are tokenized by a discrete auto-encoder (32), which is trained to compress the high dimensional space of three-dimensional structure into discrete tokens (Fig
The sentence is discussing a process called "tokenization" which involves breaking down complex data into smaller, more manageable pieces. In this case, the data being tokenized are protein structures. The process is done using a type of machine learning algorithm called a "discrete auto-encoder" which is trained to compress the high dimensional space of three-dimensional structure into discrete tokens. The figure referenced in the sentence likely shows a visual representation of this process.
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We propose an invariant geometric attention mechanism to efficiently process three-dimensional structure
The sentence proposes a new method called "invariant geometric attention mechanism" that can efficiently process three-dimensional structures. This method is designed to be useful for experts in the field of computer vision and machine learning.
The sentence is describing a process that involves a mechanism that works within specific reference frames, which are determined by the structure of amino acids. This mechanism allows for interaction between these local frames on a larger scale, by transforming them into a global frame. The details of this transformation are explained in Appendix A.
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This mechanism can be efficiently realized through the same computational primitives as attention (33), and is readily scalable
This sentence is discussing a mechanism that can be easily implemented using the same basic building blocks as a process called "attention" (which is a common technique in machine learning). The mechanism is also able to handle larger amounts of data without becoming too slow or difficult to use.
The local structural neighborhoods around each amino acid are encoded into a sequence of discrete tokens, one for each amino acid
This sentence is describing a process where the structure of a protein is being analyzed. The structure of a protein is made up of amino acids, and the sentence is saying that the local structure around each amino acid is being represented by a sequence of discrete tokens. These tokens are like symbols or codes that represent the structure of the protein. Each amino acid in the protein is assigned a token, which helps to describe the overall structure of the protein.
When predicting or generating protein structure, structure tokens output by ESM3 are passed to the decoder, which reconstructs the all-atom structure
This sentence is about a process used in protein research. It involves using a computer program called ESM3 to predict or generate the structure of a protein. The program outputs "structure tokens" which are then used by another program called the decoder to create a detailed, all-atom structure of the protein. This process helps researchers understand the shape and function of proteins, which is important for developing new drugs and treatments for diseases.
The autoencoder is trained to encode and reconstruct atomic coordinates with a geometric loss that supervises the pairwise distances and relative orientations of bond vectors and normals (Appendix A
The sentence is describing a process where a machine learning model called an autoencoder is being trained to encode and reconstruct atomic coordinates. This means that the model is being taught to take in information about the positions of atoms and then output a representation of that information that can be used to recreate the original atomic coordinates.
The training process involves using a geometric loss function, which is a mathematical formula that measures how well the model is able to accurately predict the distances and orientations between pairs of atoms. This loss function is used to adjust the parameters of the autoencoder so that it can better learn to encode and reconstruct atomic coordinates.
The Appendix A mentioned in the sentence likely contains more detailed information about the specific geometric loss function being used in this training process.
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This tokenization delivers nearperfect reconstruction of protein structure ( $<0
This sentence is about a process called tokenization, which is used to analyze and understand the structure of proteins. The sentence states that this particular method of tokenization is very accurate in reconstructing the structure of proteins, with an error rate of less than 0. This means that the method is very reliable and can be used to study proteins in great detail.
3 \AA$ RMSD on CAMEO, Fig
This sentence is referring to a measurement of the difference between two structures, where the difference is measured in terms of the root mean square deviation (RMSD) and is reported to be 3 angstroms (AA) on a platform called CAMEO. The term "Fig" is likely referring to a figure or diagram that accompanies the sentence and provides additional information or context.
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ESM3 can be conditioned on either or both of tokenized structure and atomic coordinates
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