The Remarkable Robustness of LLMs: Stages of Inference?

We demonstrate and investigate the remarkable robustness of Large Language Models by deleting and swapping adjacent layers. We find that deleting and swapping interventions retain 72-95\% of the original model's prediction accuracy without fine-tuning, whereas models with more layers exhibit more robustness. Based on the results of the layer-wise intervention and further experiments, we hypothesize the existence of four universal stages of inference across eight different models: detokenization, feature engineering, prediction ensembling, and residual sharpening. The first stage integrates local information, lifting raw token representations into higher-level contextual representations. Next is the iterative refinement of task and entity-specific features. Then, the second half of the model begins with a phase transition, where hidden representations align more with the vocabulary space due to specialized model components. Finally, the last layer sharpens the following token distribution by eliminating obsolete features that add noise to the prediction.

DafnyBench: A Benchmark for Formal Software Verification

We introduce DafnyBench, the largest benchmark of its kind for training and evaluating machine learning systems for formal software verification. We test the ability of LLMs such as GPT-4 and Claude 3 to auto-generate enough hints for the Dafny formal verification engine to successfully verify over 750 programs with about 53,000 lines of code. The best model and prompting scheme achieved 68% success rate, and we quantify how this rate improves when retrying with error message feedback and how it deteriorates with the amount of required code and hints. We hope that DafnyBench will enable rapid improvements from this baseline as LLMs and verification techniques grow in quality.

Survival of the Fittest Representation: A Case Study with Modular Addition

When a neural network can learn multiple distinct algorithms to solve a task, how does it "choose" between them during training? To approach this question, we take inspiration from ecology: when multiple species coexist, they eventually reach an equilibrium where some survive while others die out. Analogously, we suggest that a neural network at initialization contains many solutions (representations and algorithms), which compete with each other under pressure from resource constraints, with the "fittest" ultimately prevailing. To investigate this Survival of the Fittest hypothesis, we conduct a case study on neural networks performing modular addition, and find that these networks' multiple circular representations at different Fourier frequencies undergo such competitive dynamics, with only a few circles surviving at the end. We find that the frequencies with high initial signals and gradients, the "fittest," are more likely to survive. By increasing the embedding dimension, we also observe more surviving frequencies. Inspired by the Lotka-Volterra equations describing the dynamics between species, we find that the dynamics of the circles can be nicely characterized by a set of linear differential equations. Our results with modular addition show that it is possible to decompose complicated representations into simpler components, along with their basic interactions, to offer insight on the training dynamics of representations.

Not All Language Model Features Are Linear

Recent work has proposed the linear representation hypothesis: that language models perform computation by manipulating one-dimensional representations of concepts ("features") in activation space. In contrast, we explore whether some language model representations may be inherently multi-dimensional. We begin by developing a rigorous definition of irreducible multi-dimensional features based on whether they can be decomposed into either independent or non-co-occurring lower-dimensional features. Motivated by these definitions, we design a scalable method that uses sparse autoencoders to automatically find multi-dimensional features in GPT-2 and Mistral 7B. These auto-discovered features include strikingly interpretable examples, e.g. circular features representing days of the week and months of the year. We identify tasks where these exact circles are used to solve computational problems involving modular arithmetic in days of the week and months of the year. Finally, we provide evidence that these circular features are indeed the fundamental unit of computation in these tasks with intervention experiments on Mistral 7B and Llama 3 8B, and we find further circular representations by breaking down the hidden states for these tasks into interpretable components.

How Do Transformers "Do" Physics? Investigating the Simple Harmonic Oscillator

How do transformers model physics? Do transformers model systems with interpretable analytical solutions, or do they create "alien physics" that are difficult for humans to decipher? We take a step in demystifying this larger puzzle by investigating the simple harmonic oscillator (SHO), $\ddot{x}+2\gamma \dot{x}+\omega_0^2x=0$, one of the most fundamental systems in physics. Our goal is to identify the methods transformers use to model the SHO, and to do so we hypothesize and evaluate possible methods by analyzing the encoding of these methods' intermediates. We develop four criteria for the use of a method within the simple testbed of linear regression, where our method is $y = wx$ and our intermediate is $w$: (1) Can the intermediate be predicted from hidden states? (2) Is the intermediate's encoding quality correlated with model performance? (3) Can the majority of variance in hidden states be explained by the intermediate? (4) Can we intervene on hidden states to produce predictable outcomes? Armed with these two correlational (1,2), weak causal (3) and strong causal (4) criteria, we determine that transformers use known numerical methods to model trajectories of the simple harmonic oscillator, specifically the matrix exponential method. Our analysis framework can conveniently extend to high-dimensional linear systems and nonlinear systems, which we hope will help reveal the "world model" hidden in transformers.

Towards Guaranteed Safe AI: A Framework for Ensuring Robust and Reliable AI Systems

Ensuring that AI systems reliably and robustly avoid harmful or dangerous behaviours is a crucial challenge, especially for AI systems with a high degree of autonomy and general intelligence, or systems used in safety-critical contexts. In this paper, we will introduce and define a family of approaches to AI safety, which we will refer to as guaranteed safe (GS) AI. The core feature of these approaches is that they aim to produce AI systems which are equipped with high-assurance quantitative safety guarantees. This is achieved by the interplay of three core components: a world model (which provides a mathematical description of how the AI system affects the outside world), a safety specification (which is a mathematical description of what effects are acceptable), and a verifier (which provides an auditable proof certificate that the AI satisfies the safety specification relative to the world model). We outline a number of approaches for creating each of these three core components, describe the main technical challenges, and suggest a number of potential solutions to them. We also argue for the necessity of this approach to AI safety, and for the inadequacy of the main alternative approaches.

OptPDE: Discovering Novel Integrable Systems via AI-Human Collaboration

Integrable partial differential equation (PDE) systems are of great interest in natural science, but are exceedingly rare and difficult to discover. To solve this, we introduce OptPDE, a first-of-its-kind machine learning approach that Optimizes PDEs' coefficients to maximize their number of conserved quantities, $n_{\rm CQ}$, and thus discover new integrable systems. We discover four families of integrable PDEs, one of which was previously known, and three of which have at least one conserved quantity but are new to the literature to the best of our knowledge. We investigate more deeply the properties of one of these novel PDE families, $u_t = (u_x+a^2u_{xxx})^3$. Our paper offers a promising schema of AI-human collaboration for integrable system discovery: machine learning generates interpretable hypotheses for possible integrable systems, which human scientists can verify and analyze, to truly close the discovery loop.

KAN: Kolmogorov-Arnold Networks

Inspired by the Kolmogorov-Arnold representation theorem, we propose Kolmogorov-Arnold Networks (KANs) as promising alternatives to Multi-Layer Perceptrons (MLPs). While MLPs have fixed activation functions on nodes ("neurons"), KANs have learnable activation functions on edges ("weights"). KANs have no linear weights at all -- every weight parameter is replaced by a univariate function parametrized as a spline. We show that this seemingly simple change makes KANs outperform MLPs in terms of accuracy and interpretability. For accuracy, much smaller KANs can achieve comparable or better accuracy than much larger MLPs in data fitting and PDE solving. Theoretically and empirically, KANs possess faster neural scaling laws than MLPs. For interpretability, KANs can be intuitively visualized and can easily interact with human users. Through two examples in mathematics and physics, KANs are shown to be useful collaborators helping scientists (re)discover mathematical and physical laws. In summary, KANs are promising alternatives for MLPs, opening opportunities for further improving today's deep learning models which rely heavily on MLPs.

GenEFT: Understanding Statics and Dynamics of Model Generalization via Effective Theory

We present GenEFT: an effective theory framework for shedding light on the statics and dynamics of neural network generalization, and illustrate it with graph learning examples. We first investigate the generalization phase transition as data size increases, comparing experimental results with information-theory-based approximations. We find generalization in a Goldilocks zone where the decoder is neither too weak nor too powerful. We then introduce an effective theory for the dynamics of representation learning, where latent-space representations are modeled as interacting particles (repons), and find that it explains our experimentally observed phase transition between generalization and overfitting as encoder and decoder learning rates are scanned. This highlights the power of physics-inspired effective theories for bridging the gap between theoretical predictions and practice in machine learning.

A Resource Model For Neural Scaling Law

Neural scaling laws characterize how model performance improves as the model size scales up. Inspired by empirical observations, we introduce a resource model of neural scaling. A task is usually composite hence can be decomposed into many subtasks, which compete for resources (measured by the number of neurons allocated to subtasks). On toy problems, we empirically find that: (1) The loss of a subtask is inversely proportional to its allocated neurons. (2) When multiple subtasks are present in a composite task, the resources acquired by each subtask uniformly grow as models get larger, keeping the ratios of acquired resources constants. We hypothesize these findings to be generally true and build a model to predict neural scaling laws for general composite tasks, which successfully replicates the neural scaling law of Chinchilla models reported in arXiv:2203.15556. We believe that the notion of resource used in this paper will be a useful tool for characterizing and diagnosing neural networks.