CoSToM:Causal-oriented Steering for Intrinsic Theory-of-Mind Alignment in Large Language Models
Authors: Mengfan Li, Xuanhua Shi, Yang Deng
Organizations: National Engineering Research Center for Big Data Technology and System, Services Computing Technology and System Lab, Cluster and Grid Computing Lab, Huazhong University of Science and Technology · Singapore Management University
Theory of Mind (ToM), the ability to attribute mental states to others, is a hallmark of social intelligence. While large language models (LLMs) demonstrate promising performance on standard ToM benchmarks, we observe that they often fail to generalize to complex task-specific scenarios, relying heavily on prompt scaffolding to mimic reasoning. The critical misalignment between the internal knowledge and external behavior raises a fundamental question: Do LLMs truly possess intrinsic cognition, and can they externalize this internal knowledge into stable, high-quality behaviors? To answer this, we introduce CoSToM (Causal-oriented Steering for ToM alignment), a framework that transitions from mechanistic interpretation to active intervention. First, we employ causal tracing to map the internal distribution of ToM features, empirically uncovering the internal layers' characteristics in encoding fundamental ToM semantics. Building on this insight, we implement a lightweight alignment framework via targeted activation steering within these ToM-critical layers. Experiments demonstrate that CoSToM significantly enhances human-like social reasoning capabilities and downstream dialogue quality.
Figures & tables
Figure 1: A negotiation scenario illustrating the gap between ToM inference and ToM-aligned behavior in LLMs. (Left) The model correctly infers the user’s desire for firewood . (Middle) Under a generic task instruction, the model fails to apply this inferred mental state, producing an incoherent offer ( i.e. , water ). (Right) When explicitly prompted to consider mental states, the model generates a contextually appropriate response.
Figure 2: The overview of the CoSToM framework.
Dataset
train
val
eval
NegotiationToM
1,335
334
711
PersuasiveToM
10,355
2,219
2,222
Table 3: Statistics of the NegotiationToM and PersuasiveToM datasets used in our experiments.
Figure 3: Layer-wise probing results on NegotiationToM with Qwen2.5. Details and corresponding results of Llama-3 are provided in Appendix B .
Figure 4: Layer-wise reconstruction accuracy on the Negotiation dataset (Llama-3). Dashed lines represent the original model, showing a rapid decay in ToM information (representation collapse) in deeper layers. Solid lines represent the CoSToM -enhanced model, which maintains robust, high-fidelity representations across all layers.
Figure 5: Layer-wise reconstruction accuracy on the PersuasiveToM dataset (Llama-3). CoSToM not only rescues the performance in deep layers (e.g., persuadee’s intent) but also amplifies the persuader’s desire detection to near-perfect accuracy, as shown in the center plot.
Method
Judge: Llama-3.3-70B
Judge: GPT-5.1
Judge: Human
ToM
Coh.
NSE
ToM
Coh.
NSE
ToM
Coh.
NSE
Base Model: Llama-3-8B-Instruct
Prompting Baselines
Zero-shot Baseline
0.081
0.315
0.294
0.179
0.441
0.472
0.165
0.430
0.460
MindDial (prompt) Qiu et al. (2024)
0.306
0.575
0.440
0.279
0.528
0.464
0.275
0.510
0.475
Tuning & Intervention
Table 4: Dialogue generation quality on the NegotiationToM dataset (N = 100 ). (ToM: Theory of Mind Reasoning Quality, Coh.: Contextual Coherence, NSE: Negotiation Strategy Effectiveness.)
Figure 6: Qualitative comparison of dialogue generation across different Qwen-based variants in the persuasive task ( wooden vs. electric violins ). Red highlight typical reasoning pitfalls in baselines, while green demonstrates CoSToM ’s ability to generate coherent and empathetic responses grounded in accurate ToM reasoning.
Figure 7: Layer-wise probing results on NegotiationToM with Llama3.
Figure 8: Layer-wise reconstruction accuracy on the Negotiation dataset (Qwen2.5).
Figure 9: Layer-wise reconstruction accuracy on the PersuasiveToM dataset (Qwen2.5).
Method
Judge: Llama-3.3-70B
Judge: GPT-5.1
Judge: Human
ToM
Coh.
PSE
ToM
Coh.
PSE
ToM
Coh.
PSE
Base Model: Llama-3-8B-Instruct
Prompting Baselines
Zero-shot Baseline
0.104
0.433
0.199
0.259
0.783
0.529
0.165
0.520
0.310
MindDial (prompt) Qiu et al. (2024)
0.451
0.554
0.485
0.374
0.478
0.377
0.385
0.535
0.420
Tuning & Intervention
Table 5: Dialogue generation quality on the PersuasiveToM dataset (N = 200 ). CoSToM achieves the highest scores across nearly all metrics, validating its ability to enhance persuasion strategy effectiveness through accurate mental state attribution. (ToM: Theory of Mind Reasoning Quality, Coh.: Contextual Coherence, PSE: Persuasion Strategy Effectiveness.)
Figure 10: LLM-as-a-Judge Scoring Rubric for Negotiation Task.
Figure 11: LLM-as-a-Judge Scoring Rubric for Persuasive Task.
Theory of Mind (ToM) refers to an agent's ability to model the internal states of others. Contributing to the debate whether large language models (LLMs) exhibit genuine ToM capabilities, our study investigates their ToM robustness using perturbations on false-belief tasks and examines the potential of Chain-of-Thought prompting (CoT) to enhance performance and explain the LLM's decision. We introduce a handcrafted, richly annotated ToM dataset, including classic and perturbed false belief tasks, the corresponding spaces of valid reasoning chains for correct task completion, subsequent reasoning faithfulness, task solutions, and propose metrics to evaluate reasoning chain correctness and to what extent final answers are faithful to reasoning traces of the generated CoT. We show a steep drop in ToM capabilities under task perturbation for all evaluated LLMs, questioning the notion of any robust form of ToM being present. While CoT prompting improves the ToM performance overall in a faithful manner, it surprisingly degrades accuracy for some perturbation classes, indicating that selective application is necessary.
Christian Nickel, Laura Schrewe, Florian Mai +1
Bonn-Aachen International Center for Information Technology (b-it), University of Bonn · Lamarr Institute for Machine Learning and Artificial Intelligence · Research Center Trustworthy Data Science and Security (RC-Trust), University of Duisburg-Essen
Large Language Models (LLMs) perform well on many language tasks, but their Theory of Mind (ToM) reasoning is still uneven in complex social settings. Existing benchmarks, including ExploreToM, do not always test the recursive beliefs and information asymmetries that make these settings difficult. This paper presents OSCToM (Observer-Self Conflict Theory of Mind), an approach for modeling nested belief conflicts in LLM-based ToM tasks. The key case is one in which an observer's view of another agent conflicts with the observer's own belief state. Such cases go beyond simple perspective-taking and require recursive, multi-layered reasoning. OSCToM combines reinforcement learning (RL), an extended domain-specific language, and compositional surrogate models to generate observer-self conflicts. In our experiments, OSCToM-8B gives the best overall result among the systems tested. It improves on the reported ExploreToM results on FANToM and remains competitive on Hi-ToM and BigToM. On the information-asymmetric FANToM benchmark, OSCToM reaches 76% accuracy, compared with the 0.2% reported by ExploreToM. The data-synthesis procedure is also 6x more efficient, indicating that targeted training data can help smaller models handle advanced cognitive reasoning. The project code is available at https://github.com/sharminsrishty/osct.
Sharmin Sultana Srishty, Kazi Mahathir Rahman, Malaika Parizat Sakkhi +2
The study explores whether current Large Language Models (LLMs) exhibit Theory of Mind (ToM) capabilities -- specifically, the ability to infer others' beliefs, intentions, and emotions from text. Given that LLMs are trained on language data without social embodiment or access to other manifestations of mental representations, their apparent social-cognitive reasoning raises key questions about the nature of their understanding. Are they capable of robust mental-state attribution indistinguishable from human ability in its output, or do their outputs merely reflect superficial pattern completion? To address this question, we tested five LLMs and compared their performance to that of human controls using an adapted version of a text-based tool widely used in human ToM research. The test involves answering questions about the beliefs, intentions, and emotions of story characters. The results revealed a performance gap between the models. Earlier and smaller models were strongly affected by the number of relevant inferential cues available and, to some extent, were also vulnerable to the presence of irrelevant or distracting information in the texts. In contrast, GPT-4o demonstrated high accuracy and strong robustness, performing comparably to humans even in the most challenging conditions. This work contributes to ongoing debates about the cognitive status of LLMs and the boundary between genuine understanding and statistical approximation.
Anna Babarczy, Andras Lukacs, Peter Vedres +1
Institute of General and Hungarian Linguistics, Research Centre for Linguistics · Department of Cognitive Science, Faculty of Natural Sciences, Budapest University of Technology and Economics · Institute of Mathematics, Eötvös Lóránd University