Conformal Prediction as Bayesian Quadrature

As machine learning-based prediction systems are increasingly used in high-stakes situations, it is important to understand how such predictive models will perform upon deployment. Distribution-free uncertainty quantification techniques such as conformal prediction provide guarantees about the loss black-box models will incur even when the details of the models are hidden. However, such methods are based on frequentist probability, which unduly limits their applicability. We revisit the central aspects of conformal prediction from a Bayesian perspective and thereby illuminate the shortcomings of frequentist guarantees. We propose a practical alternative based on Bayesian quadrature that provides interpretable guarantees and offers a richer representation of the likely range of losses to be observed at test time.

What is a Number, That a Large Language Model May Know It?

Numbers are a basic part of how humans represent and describe the world around them. As a consequence, learning effective representations of numbers is critical for the success of large language models as they become more integrated into everyday decisions. However, these models face a challenge: depending on context, the same sequence of digit tokens, e.g., 911, can be treated as a number or as a string. What kind of representations arise from this duality, and what are its downstream implications? Using a similarity-based prompting technique from cognitive science, we show that LLMs learn representational spaces that blend string-like and numerical representations. In particular, we show that elicited similarity judgments from these models over integer pairs can be captured by a combination of Levenshtein edit distance and numerical Log-Linear distance, suggesting an entangled representation. In a series of experiments we show how this entanglement is reflected in the latent embeddings, how it can be reduced but not entirely eliminated by context, and how it can propagate into a realistic decision scenario. These results shed light on a representational tension in transformer models that must learn what a number is from text input.

RLHS: Mitigating Misalignment in RLHF with Hindsight Simulation

Generative AI systems like foundation models (FMs) must align well with human values to ensure their behavior is helpful and trustworthy. While Reinforcement Learning from Human Feedback (RLHF) has shown promise for optimizing model performance using human judgments, existing RLHF pipelines predominantly rely on immediate feedback, which can fail to accurately reflect the downstream impact of an interaction on users' utility. We demonstrate that feedback based on evaluators' foresight estimates of downstream consequences systematically induces Goodhart's Law dynamics, incentivizing misaligned behaviors like sycophancy and deception and ultimately degrading user outcomes. To alleviate this, we propose decoupling evaluation from prediction by refocusing RLHF on hindsight feedback. Our theoretical analysis reveals that conditioning evaluator feedback on downstream observations mitigates misalignment and improves expected human utility, even when these observations are simulated by the AI system itself. To leverage this insight in a practical alignment algorithm, we introduce Reinforcement Learning from Hindsight Simulation (RLHS), which first simulates plausible consequences and then elicits feedback to assess what behaviors were genuinely beneficial in hindsight. We apply RLHS to two widely-employed online and offline preference optimization methods -- Proximal Policy Optimization (PPO) and Direct Preference Optimization (DPO) -- and show empirically that misalignment is significantly reduced with both methods. Through an online human user study, we show that RLHS consistently outperforms RLHF in helping users achieve their goals and earns higher satisfaction ratings, despite being trained solely with simulated hindsight feedback. These results underscore the importance of focusing on long-term consequences, even simulated ones, to mitigate misalignment in RLHF.

Understanding the Limits of Vision Language Models Through the Lens of the Binding Problem

Recent work has documented striking heterogeneity in the performance of state-of-the-art vision language models (VLMs), including both multimodal language models and text-to-image models. These models are able to describe and generate a diverse array of complex, naturalistic images, yet they exhibit surprising failures on basic multi-object reasoning tasks -- such as counting, localization, and simple forms of visual analogy -- that humans perform with near perfect accuracy. To better understand this puzzling pattern of successes and failures, we turn to theoretical accounts of the binding problem in cognitive science and neuroscience, a fundamental problem that arises when a shared set of representational resources must be used to represent distinct entities (e.g., to represent multiple objects in an image), necessitating the use of serial processing to avoid interference. We find that many of the puzzling failures of state-of-the-art VLMs can be explained as arising due to the binding problem, and that these failure modes are strikingly similar to the limitations exhibited by rapid, feedforward processing in the human brain.

Mind Your Step (by Step): Chain-of-Thought can Reduce Performance on Tasks where Thinking Makes Humans Worse

Chain-of-thought (CoT) prompting has become a widely used strategy for working with large language and multimodal models. While CoT has been shown to improve performance across many tasks, determining the settings in which it is effective remains an ongoing effort. In particular, it is still an open question in what settings CoT systematically reduces model performance. In this paper, we seek to identify the characteristics of tasks where CoT reduces performance by drawing inspiration from cognitive psychology, looking at cases where (i) verbal thinking or deliberation hurts performance in humans, and (ii) the constraints governing human performance generalize to language models. Three such cases are implicit statistical learning, visual recognition, and classifying with patterns containing exceptions. In extensive experiments across all three settings, we find that a diverse collection of state-of-the-art models exhibit significant drop-offs in performance (e.g., up to 36.3% absolute accuracy for OpenAI o1-preview compared to GPT-4o) when using inference-time reasoning compared to zero-shot counterparts. We also identify three tasks that satisfy condition (i) but not (ii), and find that while verbal thinking reduces human performance in these tasks, CoT retains or increases model performance. Overall, our results show that while there is not an exact parallel between the cognitive processes of models and those of humans, considering cases where thinking has negative consequences for human performance can help us identify settings where it negatively impacts models. By connecting the literature on human deliberation with evaluations of CoT, we offer a new tool that can be used in understanding the impact of prompt choices and inference-time reasoning.

Centaur: a foundation model of human cognition

Establishing a unified theory of cognition has been a major goal of psychology. While there have been previous attempts to instantiate such theories by building computational models, we currently do not have one model that captures the human mind in its entirety. Here we introduce Centaur, a computational model that can predict and simulate human behavior in any experiment expressible in natural language. We derived Centaur by finetuning a state-of-the-art language model on a novel, large-scale data set called Psych-101. Psych-101 reaches an unprecedented scale, covering trial-by-trial data from over 60,000 participants performing over 10,000,000 choices in 160 experiments. Centaur not only captures the behavior of held-out participants better than existing cognitive models, but also generalizes to new cover stories, structural task modifications, and entirely new domains. Furthermore, we find that the model's internal representations become more aligned with human neural activity after finetuning. Taken together, Centaur is the first real candidate for a unified model of human cognition. We anticipate that it will have a disruptive impact on the cognitive sciences, challenging the existing paradigm for developing computational models.

Towards Foundation Models for 3D Vision: How Close Are We?

Building a foundation model for 3D vision is a complex challenge that remains unsolved. Towards that goal, it is important to understand the 3D reasoning capabilities of current models as well as identify the gaps between these models and humans. Therefore, we construct a new 3D visual understanding benchmark that covers fundamental 3D vision tasks in the Visual Question Answering (VQA) format. We evaluate state-of-the-art Vision-Language Models (VLMs), specialized models, and human subjects on it. Our results show that VLMs generally perform poorly, while the specialized models are accurate but not robust, failing under geometric perturbations. In contrast, human vision continues to be the most reliable 3D visual system. We further demonstrate that neural networks align more closely with human 3D vision mechanisms compared to classical computer vision methods, and Transformer-based networks such as ViT align more closely with human 3D vision mechanisms than CNNs. We hope our study will benefit the future development of foundation models for 3D vision.

Rational Metareasoning for Large Language Models

Being prompted to engage in reasoning has emerged as a core technique for using large language models (LLMs), deploying additional inference-time compute to improve task performance. However, as LLMs increase in both size and adoption, inference costs are correspondingly becoming increasingly burdensome. How, then, might we optimize reasoning's cost-performance tradeoff? This work introduces a novel approach based on computational models of metareasoning used in cognitive science, training LLMs to selectively use intermediate reasoning steps only when necessary. We first develop a reward function that incorporates the Value of Computation by penalizing unnecessary reasoning, then use this reward function with Expert Iteration to train the LLM. Compared to few-shot chain-of-thought prompting and STaR, our method significantly reduces inference costs (20-37\% fewer tokens generated across three models) while maintaining task performance across diverse datasets.

When a language model is optimized for reasoning, does it still show embers of autoregression? An analysis of OpenAI o1

In "Embers of Autoregression" (McCoy et al., 2023), we showed that several large language models (LLMs) have some important limitations that are attributable to their origins in next-word prediction. Here we investigate whether these issues persist with o1, a new system from OpenAI that differs from previous LLMs in that it is optimized for reasoning. We find that o1 substantially outperforms previous LLMs in many cases, with particularly large improvements on rare variants of common tasks (e.g., forming acronyms from the second letter of each word in a list, rather than the first letter). Despite these quantitative improvements, however, o1 still displays the same qualitative trends that we observed in previous systems. Specifically, o1 - like previous LLMs - is sensitive to the probability of examples and tasks, performing better and requiring fewer "thinking tokens" in high-probability settings than in low-probability ones. These results show that optimizing a language model for reasoning can mitigate but might not fully overcome the language model's probability sensitivity.

Capturing the Complexity of Human Strategic Decision-Making with Machine Learning

Understanding how people behave in strategic settings--where they make decisions based on their expectations about the behavior of others--is a long-standing problem in the behavioral sciences. We conduct the largest study to date of strategic decision-making in the context of initial play in two-player matrix games, analyzing over 90,000 human decisions across more than 2,400 procedurally generated games that span a much wider space than previous datasets. We show that a deep neural network trained on these data predicts people's choices better than leading theories of strategic behavior, indicating that there is systematic variation that is not explained by those theories. We then modify the network to produce a new, interpretable behavioral model, revealing what the original network learned about people: their ability to optimally respond and their capacity to reason about others are dependent on the complexity of individual games. This context-dependence is critical in explaining deviations from the rational Nash equilibrium, response times, and uncertainty in strategic decisions. More broadly, our results demonstrate how machine learning can be applied beyond prediction to further help generate novel explanations of complex human behavior.