Transformers meet Neural Algorithmic Reasoners

Transformers have revolutionized machine learning with their simple yet effective architecture. Pre-training Transformers on massive text datasets from the Internet has led to unmatched generalization for natural language understanding (NLU) tasks. However, such language models remain fragile when tasked with algorithmic forms of reasoning, where computations must be precise and robust. To address this limitation, we propose a novel approach that combines the Transformer's language understanding with the robustness of graph neural network (GNN)-based neural algorithmic reasoners (NARs). Such NARs proved effective as generic solvers for algorithmic tasks, when specified in graph form. To make their embeddings accessible to a Transformer, we propose a hybrid architecture with a two-phase training procedure, allowing the tokens in the language model to cross-attend to the node embeddings from the NAR. We evaluate our resulting TransNAR model on CLRS-Text, the text-based version of the CLRS-30 benchmark, and demonstrate significant gains over Transformer-only models for algorithmic reasoning, both in and out of distribution.

Transformers need glasses! Information over-squashing in language tasks

We study how information propagates in decoder-only Transformers, which are the architectural backbone of most existing frontier large language models (LLMs). We rely on a theoretical signal propagation analysis -- specifically, we analyse the representations of the last token in the final layer of the Transformer, as this is the representation used for next-token prediction. Our analysis reveals a representational collapse phenomenon: we prove that certain distinct sequences of inputs to the Transformer can yield arbitrarily close representations in the final token. This effect is exacerbated by the low-precision floating-point formats frequently used in modern LLMs. As a result, the model is provably unable to respond to these sequences in different ways -- leading to errors in, e.g., tasks involving counting or copying. Further, we show that decoder-only Transformer language models can lose sensitivity to specific tokens in the input, which relates to the well-known phenomenon of over-squashing in graph neural networks. We provide empirical evidence supporting our claims on contemporary LLMs. Our theory also points to simple solutions towards ameliorating these issues.

The CLRS-Text Algorithmic Reasoning Language Benchmark

Eliciting reasoning capabilities from language models (LMs) is a critical direction on the path towards building intelligent systems. Most recent studies dedicated to reasoning focus on out-of-distribution performance on procedurally-generated synthetic benchmarks, bespoke-built to evaluate specific skills only. This trend makes results hard to transfer across publications, slowing down progress. Three years ago, a similar issue was identified and rectified in the field of neural algorithmic reasoning, with the advent of the CLRS benchmark. CLRS is a dataset generator comprising graph execution traces of classical algorithms from the Introduction to Algorithms textbook. Inspired by this, we propose CLRS-Text -- a textual version of these algorithmic traces. Out of the box, CLRS-Text is capable of procedurally generating trace data for thirty diverse, challenging algorithmic tasks across any desirable input distribution, while offering a standard pipeline in which any additional algorithmic tasks may be created in the benchmark. We fine-tune and evaluate various LMs as generalist executors on this benchmark, validating prior work and revealing a novel, interesting challenge for the LM reasoning community. Our code is available at https://github.com/google-deepmind/clrs/tree/master/clrs/_src/clrs_text.

A Generalist Neural Algorithmic Learner

The cornerstone of neural algorithmic reasoning is the ability to solve algorithmic tasks, especially in a way that generalises out of distribution. While recent years have seen a surge in methodological improvements in this area, they mostly focused on building specialist models. Specialist models are capable of learning to neurally execute either only one algorithm or a collection of algorithms with identical control-flow backbone. Here, instead, we focus on constructing a generalist neural algorithmic learner -- a single graph neural network processor capable of learning to execute a wide range of algorithms, such as sorting, searching, dynamic programming, path-finding and geometry. We leverage the CLRS benchmark to empirically show that, much like recent successes in the domain of perception, generalist algorithmic learners can be built by "incorporating" knowledge. That is, it is possible to effectively learn algorithms in a multi-task manner, so long as we can learn to execute them well in a single-task regime. Motivated by this, we present a series of improvements to the input representation, training regime and processor architecture over CLRS, improving average single-task performance by over 20% from prior art. We then conduct a thorough ablation of multi-task learners leveraging these improvements. Our results demonstrate a generalist learner that effectively incorporates knowledge captured by specialist models.

Coverage as a Principle for Discovering Transferable Behavior in Reinforcement Learning

Designing agents that acquire knowledge autonomously and use it to solve new tasks efficiently is an important challenge in reinforcement learning, and unsupervised learning provides a useful paradigm for autonomous acquisition of task-agnostic knowledge. In supervised settings, representations discovered through unsupervised pre-training offer important benefits when transferred to downstream tasks. Given the nature of the reinforcement learning problem, we argue that representation alone is not enough for efficient transfer in challenging domains and explore how to transfer knowledge through behavior. The behavior of pre-trained policies may be used for solving the task at hand (exploitation), as well as for collecting useful data to solve the problem (exploration). We argue that policies pre-trained to maximize coverage will produce behavior that is useful for both strategies. When using these policies for both exploitation and exploration, our agents discover better solutions. The largest gains are generally observed in domains requiring structured exploration, including settings where the behavior of the pre-trained policies is misaligned with the downstream task.

Agent57: Outperforming the Atari Human Benchmark

Atari games have been a long-standing benchmark in the reinforcement learning (RL) community for the past decade. This benchmark was proposed to test general competency of RL algorithms. Previous work has achieved good average performance by doing outstandingly well on many games of the set, but very poorly in several of the most challenging games. We propose Agent57, the first deep RL agent that outperforms the standard human benchmark on all 57 Atari games. To achieve this result, we train a neural network which parameterizes a family of policies ranging from very exploratory to purely exploitative. We propose an adaptive mechanism to choose which policy to prioritize throughout the training process. Additionally, we utilize a novel parameterization of the architecture that allows for more consistent and stable learning.

Never Give Up: Learning Directed Exploration Strategies

We propose a reinforcement learning agent to solve hard exploration games by learning a range of directed exploratory policies. We construct an episodic memory-based intrinsic reward using k-nearest neighbors over the agent's recent experience to train the directed exploratory policies, thereby encouraging the agent to repeatedly revisit all states in its environment. A self-supervised inverse dynamics model is used to train the embeddings of the nearest neighbour lookup, biasing the novelty signal towards what the agent can control. We employ the framework of Universal Value Function Approximators (UVFA) to simultaneously learn many directed exploration policies with the same neural network, with different trade-offs between exploration and exploitation. By using the same neural network for different degrees of exploration/exploitation, transfer is demonstrated from predominantly exploratory policies yielding effective exploitative policies. The proposed method can be incorporated to run with modern distributed RL agents that collect large amounts of experience from many actors running in parallel on separate environment instances. Our method doubles the performance of the base agent in all hard exploration in the Atari-57 suite while maintaining a very high score across the remaining games, obtaining a median human normalised score of 1344.0%. Notably, the proposed method is the first algorithm to achieve non-zero rewards (with a mean score of 8,400) in the game of Pitfall! without using demonstrations or hand-crafted features.