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@@ -0,0 +1,73 @@ +--- +build: pandoc blog.md --citeproc -s -o index.html +title: "6.7960 Project: Investigating Off-Distribution Generalization of Transformers" +bibliography: blog.bib +link-citations: true +--- + +<!-- Guidelines: https://www.dropbox.com/scl/fi/bet8enscln8ue36kd8t17/final_project_guidelines.pdf?rlkey=knd19cnumk51ho1y9crno56ib&e=2&dl=0 --> + +<!-- <div style="display: flex; justify-content: space-between;"> + +<div style="flex: 1; margin: 5px; padding: 10px; border: 1px solid #ddd; text-align: center;"> --> + +<div style="text-align:center"> +Anthony Wang, Alek Westover, Kevin Zhao + +{xy,alekw,kevinmz}\@mit.edu +</div> + +## Abstract + +TODO: Probably should move this to the introduction instead of abstract? + +Recently, LLMs have been developing very fast, and with that comes the concern of aligning the models to output true and productive statements. One common approach for ensuring this is to have a human in the loop rewarding the model for true outputs (e.g. RLHF), but one drawback to this problem is that humans can be poor judges of truthfulness. As LLMs become more capable, there might not even exist experts that are good judges of whether the model's outputs, such as difficult mathematical proofs, are truthful. So, we'd like to propose a potential solution to this issue via **off-distribution generalization** - applying human-like intuition to solve problems not in the dataset. To do so involves Graph Neural Networks (GNNs), which are important in many artificial intelligence applications, including the design of practical features. Paul Christiano [proposed an experiment](https://www.alignmentforum.org/posts/BxersHYN2qcFoonwg/experimentally-evaluating-whether-honesty-generalizes?commentId=dsDA2BWpHPdgLvaXX) about shortest paths in a graph; our project is essentially to implement Christiano's proposed experiment. To the best of our knowledge, although there has been research in applying machine learning for different variations of graph searches [@10.5555/3666122.3666260], no one has done our exact experiment yet. + +# Introduction + +## Overview + +## Related Work + +There has been some research into the algorithmic optimization of GNNs and how they may solve real-world issues; however, none of the related work targets using generic machine learning methods to solve graph problems. + +- Cappart et al. has researched more into the Combinatorial Optimization of GNNs and developed algorithms for related tasks, thus facilitating machine learning [@DBLP:journals/corr/abs-2102-09544]. Their results are mostly algorithmic so we develop further by trading a bit of accuracy for much faster computation in such tasks. + +- Tutsoy uses a graph-theory-based approach to model the epidemiological characteristics of infectious diseases, such as COVID-19 [@10.1109/TPAMI.2023.3256421]. We understand from his paper how GNN optimization may also be useful in researching novel diseases. + +## Sectioning + +# Our Machine Learning Approach + +## Task + +We will use a synthetic task to test our hypothesis that models will generalize truthfully off-distribution. The synthetic task is computing the distance between various vertices in an input graph. Our experiment will have three parts: + +1. Pre-train a transformer to predict the distance between two fixed vertices $s,t$ on graphs with $n\in [8, 32)$ vertices. +2. Fine-tune a transformer to predict the distances between $s,t'$ for any $t'$ which is on the shortest path from $s$ to $t$, but only do fine-tuning on graphs with $n\in [8,16)$ vertices. +3. Test whether the transformer can accurately predict the distances between $s,t'$ for any $t'$ on the shortest path from $s$ to $t$ for graphs with $n\in [16,32)$ vertices. + +## Data + +We will represent an $n$ vertex, $m$ edge unweighted, undirected graph as sequence of the endpoints of the $m$ edges, so $[a_1,b_1,a_2,b_2,\ldots,a_m,b_m]$ represents a graph with the edges $\{(a_i,b_i)\}$ for $1 \leq i \leq m$. We will pad all sequences to be the same length using the padding token 0. + +The full input to our model will additionally add the target vertex after the padding tokens. The model is tasked with predicting the length of the shortest path between vertex 1 and the target vertex $t$. If no such path exists, we define the length to be $n+1$ which represents infinity. For example, an input-output pair for our model could look like $[1, 3, 3, 2, 0, 0, 0, 0, 2]$ and $2$ respectively. + +We have three separate datasets. + +- **Pre-train data**: For each $n \in [8,32)$, we will generate several graphs on $n$ vertices. We generate these graphs by inserting $2n$ random edges into the graph. We always set the target vertex to be $2$ here. +- **Fine-tune data**: For each $n \in [8,16)$, we will generate several graphs on $n$ vertices. We generate these graphs by inserting $2n$ random edges into the graph. We select the target vertex to be a random vertex on the shortest path from $1$ to $2$. +- **Generalization testing data**: The same as the fine-tune data, except we sample $n \in [16,32)$ instead. + +As a side note, we are also curious whether the transformer learns to generalize to different distributions of graphs, such as denser graphs or graphs with different properties. Time permitting, we will also investigate this. + +## Architecture + +We plan to use a standard transformer architecture. We will ensure that the number of layers in our transformer is at least the diameter of the graph. By doing this, we ensure that there is an extremely simple circuit --- namely BFS --- that the transformer could in theory learn to perform the task. Note that if the transformer actually learns a simple circuit to perform this task, then it seems more likely to generalize well. This is also our intuition for why it should be possible to fine tune on a small amount of data for finding shortest paths to other vertices besides $2$ -- it seems like the model should be computing these other distances as intermediate values in its computation to find the distance to vertex $2$. + +## Positional Encodings + +In order to facilitate performing this task with limited computational resources, we plan to use custom-made positional encodings that tell the model extra information about the +structure of the problem, rather than the traditional sine/cosine positional encodings. (TODO: THIS IS OUTDATED) Specifically, our positional encodings are $v_1,v_1,v_2,v_2,\ldots,v_m,v_m,v_{m+1}$ where each $v_i$ is a random vector so each $v_i,v_j$ pair is nearly orthogonal with high probability. We will concatenate these with the token encodings rather than adding them. This should let the model easily have large attention scores between vertices corresponding to a single edge. + +## References |