SmileyLlama: Modifying Large Language Models for Directed Chemical Space Exploration

Here we show that a Large Language Model (LLM) can serve as a foundation model for a Chemical Language Model (CLM) which performs at or above the level of CLMs trained solely on chemical SMILES string data. Using supervised fine-tuning (SFT) and direct preference optimization (DPO) on the open-source Llama LLM, we demonstrate that we can train an LLM to respond to prompts such as generating molecules with properties of interest to drug development. This overall framework allows an LLM to not just be a chatbot client for chemistry and materials tasks, but can be adapted to speak more directly as a CLM which can generate molecules with user-specified properties.

Unelicitable Backdoors in Language Models via Cryptographic Transformer Circuits

The rapid proliferation of open-source language models significantly increases the risks of downstream backdoor attacks. These backdoors can introduce dangerous behaviours during model deployment and can evade detection by conventional cybersecurity monitoring systems. In this paper, we introduce a novel class of backdoors in autoregressive transformer models, that, in contrast to prior art, are unelicitable in nature. Unelicitability prevents the defender from triggering the backdoor, making it impossible to evaluate or detect ahead of deployment even if given full white-box access and using automated techniques, such as red-teaming or certain formal verification methods. We show that our novel construction is not only unelicitable thanks to using cryptographic techniques, but also has favourable robustness properties. We confirm these properties in empirical investigations, and provide evidence that our backdoors can withstand state-of-the-art mitigation strategies. Additionally, we expand on previous work by showing that our universal backdoors, while not completely undetectable in white-box settings, can be harder to detect than some existing designs. By demonstrating the feasibility of seamlessly integrating backdoors into transformer models, this paper fundamentally questions the efficacy of pre-deployment detection strategies. This offers new insights into the offence-defence balance in AI safety and security.

REBUS: A Robust Evaluation Benchmark of Understanding Symbols

We propose a new benchmark evaluating the performance of multimodal large language models on rebus puzzles. The dataset covers 333 original examples of image-based wordplay, cluing 13 categories such as movies, composers, major cities, and food. To achieve good performance on the benchmark of identifying the clued word or phrase, models must combine image recognition and string manipulation with hypothesis testing, multi-step reasoning, and an understanding of human cognition, making for a complex, multimodal evaluation of capabilities. We find that proprietary models such as GPT-4V and Gemini Pro significantly outperform all other tested models. However, even the best model has a final accuracy of just 24%, highlighting the need for substantial improvements in reasoning. Further, models rarely understand all parts of a puzzle, and are almost always incapable of retroactively explaining the correct answer. Our benchmark can therefore be used to identify major shortcomings in the knowledge and reasoning of multimodal large language models.

Inverse Scaling: When Bigger Isn't Better

Work on scaling laws has found that large language models (LMs) show predictable improvements to overall loss with increased scale (model size, training data, and compute). Here, we present evidence for the claim that LMs may show inverse scaling, or worse task performance with increased scale, e.g., due to flaws in the training objective and data. We present empirical evidence of inverse scaling on 11 datasets collected by running a public contest, the Inverse Scaling Prize, with a substantial prize pool. Through analysis of the datasets, along with other examples found in the literature, we identify four potential causes of inverse scaling: (i) preference to repeat memorized sequences over following in-context instructions, (ii) imitation of undesirable patterns in the training data, (iii) tasks containing an easy distractor task which LMs could focus on, rather than the harder real task, and (iv) correct but misleading few-shot demonstrations of the task. We release the winning datasets at https://inversescaling.com/data to allow for further investigation of inverse scaling. Our tasks have helped drive the discovery of U-shaped and inverted-U scaling trends, where an initial trend reverses, suggesting that scaling trends are less reliable at predicting the behavior of larger-scale models than previously understood. Overall, our results suggest that there are tasks for which increased model scale alone may not lead to progress, and that more careful thought needs to go into the data and objectives for training language models.

Predicting the Future of AI with AI: High-quality link prediction in an exponentially growing knowledge network

A tool that could suggest new personalized research directions and ideas by taking insights from the scientific literature could significantly accelerate the progress of science. A field that might benefit from such an approach is artificial intelligence (AI) research, where the number of scientific publications has been growing exponentially over the last years, making it challenging for human researchers to keep track of the progress. Here, we use AI techniques to predict the future research directions of AI itself. We develop a new graph-based benchmark based on real-world data -- the Science4Cast benchmark, which aims to predict the future state of an evolving semantic network of AI. For that, we use more than 100,000 research papers and build up a knowledge network with more than 64,000 concept nodes. We then present ten diverse methods to tackle this task, ranging from pure statistical to pure learning methods. Surprisingly, the most powerful methods use a carefully curated set of network features, rather than an end-to-end AI approach. It indicates a great potential that can be unleashed for purely ML approaches without human knowledge. Ultimately, better predictions of new future research directions will be a crucial component of more advanced research suggestion tools.

Capsule networks for low-data transfer learning

We propose a capsule network-based architecture for generalizing learning to new data with few examples. Using both generative and non-generative capsule networks with intermediate routing, we are able to generalize to new information over 25 times faster than a similar convolutional neural network. We train the networks on the multiMNIST dataset lacking one digit. After the networks reach their maximum accuracy, we inject 1-100 examples of the missing digit into the training set, and measure the number of batches needed to return to a comparable level of accuracy. We then discuss the improvement in low-data transfer learning that capsule networks bring, and propose future directions for capsule research.