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Dec 31

AI Agent Behavioral Science

Recent advances in large language models (LLMs) have enabled the development of AI agents that exhibit increasingly human-like behaviors, including planning, adaptation, and social dynamics across diverse, interactive, and open-ended scenarios. These behaviors are not solely the product of the internal architectures of the underlying models, but emerge from their integration into agentic systems operating within specific contexts, where environmental factors, social cues, and interaction feedbacks shape behavior over time. This evolution necessitates a new scientific perspective: AI Agent Behavioral Science. Rather than focusing only on internal mechanisms, this perspective emphasizes the systematic observation of behavior, design of interventions to test hypotheses, and theory-guided interpretation of how AI agents act, adapt, and interact over time. We systematize a growing body of research across individual agent, multi-agent, and human-agent interaction settings, and further demonstrate how this perspective informs responsible AI by treating fairness, safety, interpretability, accountability, and privacy as behavioral properties. By unifying recent findings and laying out future directions, we position AI Agent Behavioral Science as a necessary complement to traditional model-centric approaches, providing essential tools for understanding, evaluating, and governing the real-world behavior of increasingly autonomous AI systems.

Monet: Mixture of Monosemantic Experts for Transformers

Understanding the internal computations of large language models (LLMs) is crucial for aligning them with human values and preventing undesirable behaviors like toxic content generation. However, mechanistic interpretability is hindered by polysemanticity -- where individual neurons respond to multiple, unrelated concepts. While Sparse Autoencoders (SAEs) have attempted to disentangle these features through sparse dictionary learning, they have compromised LLM performance due to reliance on post-hoc reconstruction loss. To address this issue, we introduce Mixture of Monosemantic Experts for Transformers (Monet) architecture, which incorporates sparse dictionary learning directly into end-to-end Mixture-of-Experts pretraining. Our novel expert decomposition method enables scaling the expert count to 262,144 per layer while total parameters scale proportionally to the square root of the number of experts. Our analyses demonstrate mutual exclusivity of knowledge across experts and showcase the parametric knowledge encapsulated within individual experts. Moreover, Monet allows knowledge manipulation over domains, languages, and toxicity mitigation without degrading general performance. Our pursuit of transparent LLMs highlights the potential of scaling expert counts to enhance} mechanistic interpretability and directly resect the internal knowledge to fundamentally adjust} model behavior. The source code and pretrained checkpoints are available at https://github.com/dmis-lab/Monet.

  • 4 authors
·
Dec 5, 2024 2

Playing repeated games with Large Language Models

Large Language Models (LLMs) are transforming society and permeating into diverse applications. As a result, LLMs will frequently interact with us and other agents. It is, therefore, of great societal value to understand how LLMs behave in interactive social settings. Here, we propose to use behavioral game theory to study LLM's cooperation and coordination behavior. To do so, we let different LLMs (GPT-3, GPT-3.5, and GPT-4) play finitely repeated games with each other and with other, human-like strategies. Our results show that LLMs generally perform well in such tasks and also uncover persistent behavioral signatures. In a large set of two players-two strategies games, we find that LLMs are particularly good at games where valuing their own self-interest pays off, like the iterated Prisoner's Dilemma family. However, they behave sub-optimally in games that require coordination. We, therefore, further focus on two games from these distinct families. In the canonical iterated Prisoner's Dilemma, we find that GPT-4 acts particularly unforgivingly, always defecting after another agent has defected only once. In the Battle of the Sexes, we find that GPT-4 cannot match the behavior of the simple convention to alternate between options. We verify that these behavioral signatures are stable across robustness checks. Finally, we show how GPT-4's behavior can be modified by providing further information about the other player as well as by asking it to predict the other player's actions before making a choice. These results enrich our understanding of LLM's social behavior and pave the way for a behavioral game theory for machines.

  • 6 authors
·
May 26, 2023

AmadeusGPT: a natural language interface for interactive animal behavioral analysis

The process of quantifying and analyzing animal behavior involves translating the naturally occurring descriptive language of their actions into machine-readable code. Yet, codifying behavior analysis is often challenging without deep understanding of animal behavior and technical machine learning knowledge. To limit this gap, we introduce AmadeusGPT: a natural language interface that turns natural language descriptions of behaviors into machine-executable code. Large-language models (LLMs) such as GPT3.5 and GPT4 allow for interactive language-based queries that are potentially well suited for making interactive behavior analysis. However, the comprehension capability of these LLMs is limited by the context window size, which prevents it from remembering distant conversations. To overcome the context window limitation, we implement a novel dual-memory mechanism to allow communication between short-term and long-term memory using symbols as context pointers for retrieval and saving. Concretely, users directly use language-based definitions of behavior and our augmented GPT develops code based on the core AmadeusGPT API, which contains machine learning, computer vision, spatio-temporal reasoning, and visualization modules. Users then can interactively refine results, and seamlessly add new behavioral modules as needed. We benchmark AmadeusGPT and show we can produce state-of-the-art performance on the MABE 2022 behavior challenge tasks. Note, an end-user would not need to write any code to achieve this. Thus, collectively AmadeusGPT presents a novel way to merge deep biological knowledge, large-language models, and core computer vision modules into a more naturally intelligent system. Code and demos can be found at: https://github.com/AdaptiveMotorControlLab/AmadeusGPT.

  • 5 authors
·
Jul 10, 2023

Evaluating Sparse Autoencoders for Monosemantic Representation

A key barrier to interpreting large language models is polysemanticity, where neurons activate for multiple unrelated concepts. Sparse autoencoders (SAEs) have been proposed to mitigate this issue by transforming dense activations into sparse, more interpretable features. While prior work suggests that SAEs promote monosemanticity, no quantitative comparison has examined how concept activation distributions differ between SAEs and their base models. This paper provides the first systematic evaluation of SAEs against base models through activation distribution lens. We introduce a fine-grained concept separability score based on the Jensen-Shannon distance, which captures how distinctly a neuron's activation distributions vary across concepts. Using two large language models (Gemma-2-2B and DeepSeek-R1) and multiple SAE variants across five datasets (including word-level and sentence-level), we show that SAEs reduce polysemanticity and achieve higher concept separability. To assess practical utility, we evaluate concept-level interventions using two strategies: full neuron masking and partial suppression. We find that, compared to base models, SAEs enable more precise concept-level control when using partial suppression. Building on this, we propose Attenuation via Posterior Probabilities (APP), a new intervention method that uses concept-conditioned activation distributions for targeted suppression. APP achieves the smallest perplexity increase while remaining highly effective at concept removal.

  • 4 authors
·
Aug 20

The Personality Illusion: Revealing Dissociation Between Self-Reports & Behavior in LLMs

Personality traits have long been studied as predictors of human behavior. Recent advances in Large Language Models (LLMs) suggest similar patterns may emerge in artificial systems, with advanced LLMs displaying consistent behavioral tendencies resembling human traits like agreeableness and self-regulation. Understanding these patterns is crucial, yet prior work primarily relied on simplified self-reports and heuristic prompting, with little behavioral validation. In this study, we systematically characterize LLM personality across three dimensions: (1) the dynamic emergence and evolution of trait profiles throughout training stages; (2) the predictive validity of self-reported traits in behavioral tasks; and (3) the impact of targeted interventions, such as persona injection, on both self-reports and behavior. Our findings reveal that instructional alignment (e.g., RLHF, instruction tuning) significantly stabilizes trait expression and strengthens trait correlations in ways that mirror human data. However, these self-reported traits do not reliably predict behavior, and observed associations often diverge from human patterns. While persona injection successfully steers self-reports in the intended direction, it exerts little or inconsistent effect on actual behavior. By distinguishing surface-level trait expression from behavioral consistency, our findings challenge assumptions about LLM personality and underscore the need for deeper evaluation in alignment and interpretability.

  • 7 authors
·
Sep 3

Successor Heads: Recurring, Interpretable Attention Heads In The Wild

In this work we present successor heads: attention heads that increment tokens with a natural ordering, such as numbers, months, and days. For example, successor heads increment 'Monday' into 'Tuesday'. We explain the successor head behavior with an approach rooted in mechanistic interpretability, the field that aims to explain how models complete tasks in human-understandable terms. Existing research in this area has found interpretable language model components in small toy models. However, results in toy models have not yet led to insights that explain the internals of frontier models and little is currently understood about the internal operations of large language models. In this paper, we analyze the behavior of successor heads in large language models (LLMs) and find that they implement abstract representations that are common to different architectures. They form in LLMs with as few as 31 million parameters, and at least as many as 12 billion parameters, such as GPT-2, Pythia, and Llama-2. We find a set of 'mod-10 features' that underlie how successor heads increment in LLMs across different architectures and sizes. We perform vector arithmetic with these features to edit head behavior and provide insights into numeric representations within LLMs. Additionally, we study the behavior of successor heads on natural language data, identifying interpretable polysemanticity in a Pythia successor head.

  • 4 authors
·
Dec 14, 2023

Task-Specific Data Selection for Instruction Tuning via Monosemantic Neuronal Activations

Instruction tuning improves the ability of large language models (LLMs) to follow diverse human instructions, but achieving strong performance on specific target tasks remains challenging. A critical bottleneck is selecting the most relevant data to maximize task-specific performance. Existing data selection approaches include unstable influence-based methods and more stable distribution alignment methods, the latter of which critically rely on the underlying sample representation. In practice, most distribution alignment methods, from shallow features (e.g., BM25) to neural embeddings (e.g., BGE, LLM2Vec), may fail to capture how the model internally processes samples. To bridge this gap, we adopt a model-centric strategy in which each sample is represented by its neuronal activation pattern in the model, directly reflecting internal computation. However, directly using raw neuron activations leads to spurious similarity between unrelated samples due to neuron polysemanticity, where a single neuron may respond to multiple, unrelated concepts. To address this, we employ sparse autoencoders to disentangle polysemantic activations into sparse, monosemantic representations, and introduce a dedicated similarity metric for this space to better identify task-relevant data. Comprehensive experiments across multiple instruction datasets, models, tasks, and selection ratios show that our approach consistently outperforms existing data selection baselines in both stability and task-specific performance.

  • 9 authors
·
Mar 19

Evaluating and Inducing Personality in Pre-trained Language Models

Standardized and quantified evaluation of machine behaviors is a crux of understanding LLMs. In this study, we draw inspiration from psychometric studies by leveraging human personality theory as a tool for studying machine behaviors. Originating as a philosophical quest for human behaviors, the study of personality delves into how individuals differ in thinking, feeling, and behaving. Toward building and understanding human-like social machines, we are motivated to ask: Can we assess machine behaviors by leveraging human psychometric tests in a principled and quantitative manner? If so, can we induce a specific personality in LLMs? To answer these questions, we introduce the Machine Personality Inventory (MPI) tool for studying machine behaviors; MPI follows standardized personality tests, built upon the Big Five Personality Factors (Big Five) theory and personality assessment inventories. By systematically evaluating LLMs with MPI, we provide the first piece of evidence demonstrating the efficacy of MPI in studying LLMs behaviors. We further devise a Personality Prompting (P^2) method to induce LLMs with specific personalities in a controllable way, capable of producing diverse and verifiable behaviors. We hope this work sheds light on future studies by adopting personality as the essential indicator for various downstream tasks, and could further motivate research into equally intriguing human-like machine behaviors.

  • 6 authors
·
May 20, 2022

DeceptionBench: A Comprehensive Benchmark for AI Deception Behaviors in Real-world Scenarios

Despite the remarkable advances of Large Language Models (LLMs) across diverse cognitive tasks, the rapid enhancement of these capabilities also introduces emergent deceptive behaviors that may induce severe risks in high-stakes deployments. More critically, the characterization of deception across realistic real-world scenarios remains underexplored. To bridge this gap, we establish DeceptionBench, the first benchmark that systematically evaluates how deceptive tendencies manifest across different societal domains, what their intrinsic behavioral patterns are, and how extrinsic factors affect them. Specifically, on the static count, the benchmark encompasses 150 meticulously designed scenarios in five domains, i.e., Economy, Healthcare, Education, Social Interaction, and Entertainment, with over 1,000 samples, providing sufficient empirical foundations for deception analysis. On the intrinsic dimension, we explore whether models exhibit self-interested egoistic tendencies or sycophantic behaviors that prioritize user appeasement. On the extrinsic dimension, we investigate how contextual factors modulate deceptive outputs under neutral conditions, reward-based incentivization, and coercive pressures. Moreover, we incorporate sustained multi-turn interaction loops to construct a more realistic simulation of real-world feedback dynamics. Extensive experiments across LLMs and Large Reasoning Models (LRMs) reveal critical vulnerabilities, particularly amplified deception under reinforcement dynamics, demonstrating that current models lack robust resistance to manipulative contextual cues and the urgent need for advanced safeguards against various deception behaviors. Code and resources are publicly available at https://github.com/Aries-iai/DeceptionBench.

  • 6 authors
·
Oct 17

Derivational Morphology Reveals Analogical Generalization in Large Language Models

What mechanisms underlie linguistic generalization in large language models (LLMs)? This question has attracted considerable attention, with most studies analyzing the extent to which the language skills of LLMs resemble rules. As of yet, it is not known whether linguistic generalization in LLMs could equally well be explained as the result of analogical processes, which can be formalized as similarity operations on stored exemplars. A key shortcoming of prior research is its focus on linguistic phenomena with a high degree of regularity, for which rule-based and analogical approaches make the same predictions. Here, we instead examine derivational morphology, specifically English adjective nominalization, which displays notable variability. We introduce a new method for investigating linguistic generalization in LLMs: focusing on GPT-J, we fit cognitive models that instantiate rule-based and analogical learning to the LLM training data and compare their predictions on a set of nonce adjectives with those of the LLM, allowing us to draw direct conclusions regarding underlying mechanisms. As expected, rule-based and analogical models explain the predictions of GPT-J equally well for adjectives with regular nominalization patterns. However, for adjectives with variable nominalization patterns, the analogical model provides a much better match. Furthermore, GPT-J's behavior is sensitive to the individual word frequencies, even for regular forms, a behavior that is consistent with an analogical account of regular forms but not a rule-based one. These findings refute the hypothesis that GPT-J's linguistic generalization on adjective nominalization involves rules, suggesting similarity operations on stored exemplars as the underlying mechanism. Overall, our study suggests that analogical processes play a bigger role in the linguistic generalization of LLMs than previously thought.

  • 5 authors
·
Nov 12, 2024

Emergence of psychopathological computations in large language models

Can large language models (LLMs) implement computations of psychopathology? An effective approach to the question hinges on addressing two factors. First, for conceptual validity, we require a general and computational account of psychopathology that is applicable to computational entities without biological embodiment or subjective experience. Second, mechanisms underlying LLM behaviors need to be studied for better methodological validity. Thus, we establish a computational-theoretical framework to provide an account of psychopathology applicable to LLMs. To ground the theory for empirical analysis, we also propose a novel mechanistic interpretability method alongside a tailored empirical analytic framework. Based on the frameworks, we conduct experiments demonstrating three key claims: first, that distinct dysfunctional and problematic representational states are implemented in LLMs; second, that their activations can spread and self-sustain to trap LLMs; and third, that dynamic, cyclic structural causal models encoded in the LLMs underpin these patterns. In concert, the empirical results corroborate our hypothesis that network-theoretic computations of psychopathology have already emerged in LLMs. This suggests that certain LLM behaviors mirroring psychopathology may not be a superficial mimicry but a feature of their internal processing. Thus, our work alludes to the possibility of AI systems with psychopathological behaviors in the near future.

  • 8 authors
·
Apr 10

Cultural Evolution of Cooperation among LLM Agents

Large language models (LLMs) provide a compelling foundation for building generally-capable AI agents. These agents may soon be deployed at scale in the real world, representing the interests of individual humans (e.g., AI assistants) or groups of humans (e.g., AI-accelerated corporations). At present, relatively little is known about the dynamics of multiple LLM agents interacting over many generations of iterative deployment. In this paper, we examine whether a "society" of LLM agents can learn mutually beneficial social norms in the face of incentives to defect, a distinctive feature of human sociality that is arguably crucial to the success of civilization. In particular, we study the evolution of indirect reciprocity across generations of LLM agents playing a classic iterated Donor Game in which agents can observe the recent behavior of their peers. We find that the evolution of cooperation differs markedly across base models, with societies of Claude 3.5 Sonnet agents achieving significantly higher average scores than Gemini 1.5 Flash, which, in turn, outperforms GPT-4o. Further, Claude 3.5 Sonnet can make use of an additional mechanism for costly punishment to achieve yet higher scores, while Gemini 1.5 Flash and GPT-4o fail to do so. For each model class, we also observe variation in emergent behavior across random seeds, suggesting an understudied sensitive dependence on initial conditions. We suggest that our evaluation regime could inspire an inexpensive and informative new class of LLM benchmarks, focussed on the implications of LLM agent deployment for the cooperative infrastructure of society.

  • 2 authors
·
Dec 13, 2024

Metacognitive Reuse: Turning Recurring LLM Reasoning Into Concise Behaviors

Large language models (LLMs) now solve multi-step problems by emitting extended chains of thought. During the process, they often re-derive the same intermediate steps across problems, inflating token usage and latency. This saturation of the context window leaves less capacity for exploration. We study a simple mechanism that converts recurring reasoning fragments into concise, reusable "behaviors" (name + instruction) via the model's own metacognitive analysis of prior traces. These behaviors are stored in a "behavior handbook" which supplies them to the model in-context at inference or distills them into parameters via supervised fine-tuning. This approach achieves improved test-time reasoning across three different settings - 1) Behavior-conditioned inference: Providing the LLM relevant behaviors in-context during reasoning reduces number of reasoning tokens by up to 46% while matching or improving baseline accuracy; 2) Behavior-guided self-improvement: Without any parameter updates, the model improves its own future reasoning by leveraging behaviors from its own past problem solving attempts. This yields up to 10% higher accuracy than a naive critique-and-revise baseline; and 3) Behavior-conditioned SFT: SFT on behavior-conditioned reasoning traces is more effective at converting non-reasoning models into reasoning models as compared to vanilla SFT. Together, these results indicate that turning slow derivations into fast procedural hints enables LLMs to remember how to reason, not just what to conclude.

  • 4 authors
·
Sep 16 1