Li Ji-An

Hua-Dong Xiong, Li Ji-An, Robert C. Wilson et al.

Large language models (LLMs) exhibit remarkable flexibility: they can adapt to novel tasks from in-context examples without any parameter updates, a capability known as in-context learning (ICL). Prior work on synthetic tasks has shown that ICL can implement specific algorithms, demonstrating architectural competence, and mechanistic analyses have identified key circuits that support this behavior. However, because in-context computation -- regardless of its algorithmic form -- relies on transformations in high-dimensional representation space, it remains unclear how the geometry of that space shapes ICL effectiveness. Motivated by the neuroscience view of classification as the untangling of neural representations, we hypothesize that ICL depends on the successful online untangling of task-relevant representations. To test this idea, we study how LLMs classify in-context examples whose labels are defined by the model's own internal representations with known structure. We show that ICL performance correlates systematically with the representational structure of the underlying classification task and that successful ICL is accompanied by geometric reorganization that increases online separability. We further find that LLM behavior is well described by a prototype-like algorithm that integrates evidence while reshaping representations to support classification. These findings offer a geometric account of ICL in pretrained LLMs, establish representational geometry as a mechanistic constraint on ICL, and quantify the gap between what pretrained representations afford and what in-context learning can exploit.

Zhanqi Zhang, Hua-Dong Xiong, Robert C. Wilson et al.

Modern large language models (LLMs) can find a needle in a haystack (locating a single relevant fact buried among hundreds of thousands of irrelevant tokens) with near-saturated accuracy, yet fail to retrieve the last few items in a short list. We call this failure the Position Curse. For instance, even in a two-line code snippet, Claude Opus 4.6 misidentifies the second-to-last line most of the time. To characterize this failure, we evaluated two complementary queries: given a position in a sequence (of letters or words), retrieve the corresponding item; and given an item, return its position. Each position is specified as a forward or backward offset from an anchor, either an endpoint of the list (its start or end) or another item in the list. Across both open-source and frontier closed-source models, backward retrieval substantially lags forward retrieval. To test whether this capability can be rescued by post-training, we constructed PosBench, a position-focused training dataset. LoRA fine-tuning improves both forward and backward retrieval and generalizes to a held-out code-understanding benchmark (PyIndex), yet absolute performance remains far from saturated. As LLM coding agents increasingly operate over large codebases where precise indexing becomes essential for code understanding and editing, position-based retrieval emerges as a key capability for future pretraining objectives and model design.

Hua-Dong Xiong, Li Ji-An, Jiaqi Huang et al.

Intelligent systems must maintain and manipulate task-relevant information online to adapt to dynamic environments and changing goals. This capacity, known as working memory, is fundamental to human reasoning and intelligence. Despite having on the order of 100 billion neurons, both biological and artificial systems exhibit limitations in working memory. This raises a key question: why do large language models (LLMs) show such limitations, given that transformers have full access to prior context through attention? We find that although a two-layer transformer can be trained to solve working memory tasks perfectly, a diverse set of pretrained LLMs continues to show working memory limitations. Notably, LLMs reproduce interference signatures observed in humans: performance degrades with increasing memory load and is biased by recency and stimulus statistics. Across models, stronger working memory capacity correlates with broader competence on standard benchmarks, mirroring its link to general intelligence in humans. Yet despite substantial variability in working memory performance, LLMs surprisingly converge on a common computational mechanism. Rather than directly copying the relevant memory item from context, models encode multiple memory items in entangled representations, such that successful recall depends on interference control -- actively suppressing task-irrelevant content to isolate the target for readout. Moreover, a targeted intervention that suppresses stimulus content information improves performance, providing causal support for representational interference. Together, these findings identify representational interference as a core constraint on working memory in pretrained LLMs, suggesting that working-memory limits in biological and artificial systems may reflect a shared computational challenge: selecting task-relevant information under interference.

Marcel Binz, Elif Akata, Abdullah Almaatouq et al.

Large language models (LLMs) are increasingly used as surrogates for human participants, but it remains unclear which models best capture human behavior and why. To address this, we introduce Psych-201, a novel dataset that enables us to measure behavioral alignment at scale. We find that post-training -- the stage that turns base models into useful assistants -- consistently reduces alignment with human behavior across model families, sizes, and objectives. Moreover, this misalignment widens in newer model generations even as base models continue to improve. Finally, we find that persona-induction -- a popular technique for eliciting human-like behavior by conditioning models on participant-specific information -- does not improve predictions at the level of individuals. Taken together, our results suggest that the very processes that are currently employed to turn LLMs into useful assistants also make them less accurate models of human behavior.

Marcel Binz, Elif Akata, Matthias Bethge et al. · princeton

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. A first step in this direction is to create a model that can predict human behavior in a wide range of settings. 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, our results demonstrate that it is possible to discover computational models that capture human behavior across a wide range of domains. We believe that such models provide tremendous potential for guiding the development of cognitive theories and present a case study to demonstrate this.

Li Ji-An, Corey Y. Zhou, Marcus K. Benna et al.

Understanding connections between artificial and biological intelligent systems can reveal fundamental principles of general intelligence. While many artificial intelligence models have a neuroscience counterpart, such connections are largely missing in Transformer models and the self-attention mechanism. Here, we examine the relationship between interacting attention heads and human episodic memory. We focus on induction heads, which contribute to in-context learning in Transformer-based large language models (LLMs). We demonstrate that induction heads are behaviorally, functionally, and mechanistically similar to the contextual maintenance and retrieval (CMR) model of human episodic memory. Our analyses of LLMs pre-trained on extensive text data show that CMR-like heads often emerge in the intermediate and late layers, qualitatively mirroring human memory biases. The ablation of CMR-like heads suggests their causal role in in-context learning. Our findings uncover a parallel between the computational mechanisms of LLMs and human memory, offering valuable insights into both research fields.

Li Ji-An, Hua-Dong Xiong, Robert C. Wilson et al.

Large language models (LLMs) can sometimes report the strategies they actually use to solve tasks, yet at other times seem unable to recognize those strategies that govern their behavior. This suggests a limited degree of metacognition - the capacity to monitor one's own cognitive processes for subsequent reporting and self-control. Metacognition enhances LLMs' capabilities in solving complex tasks but also raises safety concerns, as models may obfuscate their internal processes to evade neural-activation-based oversight (e.g., safety detector). Given society's increased reliance on these models, it is critical that we understand their metacognitive abilities. To address this, we introduce a neuroscience-inspired neurofeedback paradigm that uses in-context learning to quantify metacognitive abilities of LLMs to report and control their activation patterns. We demonstrate that their abilities depend on several factors: the number of in-context examples provided, the semantic interpretability of the neural activation direction (to be reported/controlled), and the variance explained by that direction. These directions span a "metacognitive space" with dimensionality much lower than the model's neural space, suggesting LLMs can monitor only a small subset of their neural activations. Our paradigm provides empirical evidence to quantify metacognition in LLMs, with significant implications for AI safety (e.g., adversarial attack and defense).