Discovering and Reasoning of Causality in the Hidden World with Large Language Models
Organizations: TMLR Group, Hong Kong Baptist University, Kowloon, Hong Kong SAR · Mohamed bin Zayed University of Artificial Intelligence, Abu Dhabi, UAE · Department of Philosophy, Carnegie Mellon University, Pittsburgh, PA 15213, USA · School of Computer Science, The University of Sydney, NSW 2008, Australia ·
Abstract
Revealing hidden causal variables alongside the underlying causal mechanisms is essential to the development of science. Despite the progress in the past decades, existing practice in causal discovery (CD) heavily relies on high-quality measured variables, which are usually given by human experts. In fact, the lack of well-defined high-level variables behind unstructured data has been a longstanding roadblock to a broader real-world application of CD. This procedure can naturally benefit from an automated process that can suggest potential hidden variables in the system. Interestingly, Large language models (LLMs) are trained on massive observations of the world and have demonstrated great capability in processing unstructured data. To leverage the power of LLMs, we develop a new framework termed Causal representatiOn AssistanT (COAT) that incorporates the rich world knowledge of LLMs to propose useful measured variables for CD with respect to high-value target variables on their paired unstructured data. Instead of directly inferring causality with LLMs, COAT constructs feedback from intermediate CD results to LLMs to refine the proposed variables. Given the target variable and the paired unstructured data, we first develop COAT-MB that leverages the predictivity of the proposed variables to iteratively uncover the Markov Blanket of the target variable. Built upon COAT-MB, COAT-PAG further extends to uncover a more complete causal graph, i.e., Partial Ancestral Graph, by iterating over the target variables and actively seeking new high-level variables. Moreover, the reliable CD capabilities of COAT also extend the debiased causal inference to unstructured data by discovering an adjustment set. We establish theoretical guarantees for the CD results and verify their efficiency and reliability across realistic benchmarks and real-world case studies.
Figures & tables
| Content | Clarification | |
| Method | COAT-MB (Algorithm 1 ; Section 3.3 ) | inherited |
| COAT-PAG (Algorithm 2 ; Section 3.4 ) | new | |
| COAT-ADJ (Algorithm 3 ; Section 3.5 ) | new | |
| Theoretical Analysis | Identifiability on Markov Blanket (Section 4.1 ) | inherited |
| Identifiability on Partial Ancestral Graphs (Section 4.2 ) | new | |
| Identifiability on Adjustment Sets (Section 4.3 ) | new |
| Assumption | Notes |
| I. LLM Capability Assumptions | |
| Propose valid factors, i.e., and (Definition 3 ). | Validated in Figure 10 (c) and Table 15 |
| Accurate annotation with independent noise (Assumption 1 ). | Validated in Figure 10 (a-b) and Table 5 |
| II. Causal Discovery Assumptions ( Spirtes et al., 1995 ) | |
| Faithfulness and Markov condition | Depends on the specific algorithm (e.g., FCI, LiNGAM) |
| Validity of conditional independence tests | |
| LLMs | Method | MB | NMB | OT | Recall | Precision | F1 |
| GPT-4o | META | 3.00 0.82 | 1.00 0.00 | 4.00 0.82 | 0.60 0.16 | 0.37 0.09 | 0.46 0.12 |
| DATA | 3.00 0.00 | 0.67 0.47 | 0.00 0.00 | 0.60 0.00 | 0.83 0.12 | 0.69 0.04 | |
| DATA+CoT | 4.67 0.58 | 1.00 0.00 | 0.33 0.58 | 0.93 0.12 | 0.78 0.10 | 0.85 0.10 | |
| COAT | 4.00 0.82 | 0.00 0.00 | 0.00 0.00 | 0.80 0.16 | 1.00 0.00 | 0.88 0.10 | |
| GPT-4 | META | 2.67 0.94 | 0.67 0.47 | 2.33 0.47 | 0.53 0.19 | 0.46 0.08 | 0.49 0.13 |
| DATA | 3.00 0.00 | 0.33 0.47 | 0.00 0.00 | 0.60 0.00 | 0.92 0.12 | 0.72 0.04 |
| LLM | Method | SHD | SID | Recall | Precision | F1 |
| GPT-4o | pairwise | 5.33 2.62 | 0.00 0.00 | 1.00 0.00 | 0.45 0.07 | 0.62 0.07 |
| COAT | 1.00 0.00 | 0.00 0.00 | 1.00 0.00 | 0.79 0.03 | 0.89 0.02 | |
| GPT-4 | pairwise | 8.67 2.05 | 1.33 1.89 | 0.93 0.09 | 0.35 0.05 | 0.51 0.06 |
| COAT | 2.33 0.47 | 1.00 1.41 | 0.93 0.09 | 0.70 0.09 | 0.79 0.04 | |
| GPT-3.5 | pairwise | 5.67 4.03 | 3.00 2.94 | 0.67 0.24 | 0.49 0.36 | 0.55 0.32 |
| COAT | 2.00 0.82 | 2.67 2.05 | 0.75 0.20 | 0.63 0.21 | 0.68 0.21 |
| LLM | Test Object | T | P-value |
| GPT-4 | Feature | 0.2828 | 0.9997 |
| Noise | 0.0327 | 0.9962 | |
| GPT-3.5 | Feature | 0.4803 | 0.0325 |
| Noise | 0.0446 | 0.9962 |
| V1 | V2 | X1 | X2 | FCI Orientation Rules | |
| graph 1 | Taste | Score | Nutrition | Market Potential | 0, 1 |
| graph 2 | Taste | Score | Juiciness | Size | 0 |
| graph 3 | Smell | Score | Market Potential | Nutrition | 0, 4 |
| graph 4 | Juiciness | Score | Nutrition | Smell | 0, 2, 4 |
| graph 5 | Market Potential | Score | Taste | Juiciness | 3 |
| Edge Mark | Arrow Head | ||||
| Accuracy | Precision | Recall | F1 | ||
| DeepSeek-V3 | DATA+CoT | 48 40 | 52 36 | 54 34 | 53 35 |
| DATA+FCI | 66 19 | 88 11 | 76 22 | 80 17 | |
| COAT | 88 8 | 96 9 | 88 11 | 91 9 | |
| GLM-4-Plus | DATA+CoT | 60 16 | 74 17 | 70 22 | 69 16 |
| DATA+FCI | 54 30 | 68 27 | 58 25 | 61 24 | |
| Edge Mark | Arrow Head | ||||
| Accuracy | Precision | Recall | F1 | ||
| DeepSeek-V3 | DATA+CoT | 80 45 | 80 45 | 80 45 | 80 45 |
| DATA+FCI | 80 45 | 80 45 | 80 45 | 80 45 | |
| COAT | 100 0 | 100 0 | 100 0 | 100 0 | |
| GLM-4-Plus | DATA+CoT | 50 0 | 90 22 | 100 0 | 93 15 |
| DATA+FCI | 80 45 | 80 45 | 80 45 | 80 45 | |
| Edge Mark | Arrow Head | ||||
| Accuracy | Precision | Recall | F1 | ||
| DeepSeek-V3 | DATA+CoT | 30 45 | 30 45 | 30 45 | 30 45 |
| DATA+FCI | 80 27 | 100 0 | 80 27 | 87 18 | |
| COAT | 80 27 | 100 0 | 80 27 | 87 18 | |
| GLM-4-Plus | DATA+CoT | 40 42 | 60 55 | 40 42 | 47 45 |
| DATA+FCI | 90 22 | 100 0 | 90 22 | 93 15 | |
| Edge Mark | Arrow Head | ||||
| Accuracy | Precision | Recall | F1 | ||
| DeepSeek-V3 | DATA+CoT | 20 45 | 20 45 | 20 45 | 20 45 |
| DATA+FCI | 40 22 | 80 45 | 40 22 | 53 30 | |
| COAT | 80 27 | 100 0 | 80 27 | 87 18 | |
| GLM-4-Plus | DATA+CoT | 80 27 | 100 0 | 80 27 | 87 18 |
| DATA+FCI | 40 22 | 80 45 | 40 22 | 53 30 | |
| Edge Mark | Arrow Head | ||||
| Accuracy | Precision | Recall | F1 | ||
| DeepSeek-V3 | DATA+CoT | 100 0 | 100 0 | 100 0 | 100 0 |
| DATA+FCI | 80 27 | 100 0 | 100 0 | 100 0 | |
| COAT | 90 22 | 100 0 | 100 0 | 100 0 | |
| GLM-4-Plus | DATA+CoT | 70 45 | 80 45 | 70 45 | 73 43 |
| DATA+FCI | 20 27 | 40 55 | 40 55 | 40 55 | |
| Edge Mark | Arrow Head | ||||
| Accuracy | Precision | Recall | F1 | ||
| DeepSeek-V3 | DATA+CoT | 10 22 | 30 45 | 40 55 | 33 47 |
| DATA+FCI | 50 0 | 80 45 | 80 45 | 80 45 | |
| COAT | 90 22 | 80 45 | 80 45 | 80 45 | |
| GLM-4-Plus | DATA+CoT | 60 55 | 60 55 | 60 55 | 60 55 |
| DATA+FCI | 40 55 | 40 55 | 40 55 | 40 55 | |
| LLM | Method | Factor Proposal | ||||
| PA | AN | OT | Acc | F1 | ||
| GPT-4 | Meta | 3 | 5 | 6 | 0.91 | 0.59 |
| DATA | 2 | 2 | 0 | 0.95 | 0.50 | |
| DATA+CoT | 3 | 4 | 13 | 0.81 | 0.35 | |
| COAT | 3 | 6 | 3 | 0.96 | 0.80 | |
| GPT-3.5 | Meta | 3 | 5 | 6 | 0.91 | 0.59 |
| Hillstrom | Retail Hero | ||||
| Factor Provider | Method | ATE (pp) | RMSE | ATE (pp) | RMSE |
| - | Ground Truth | 6.09 | - | 3.32 | - |
| Human Expert ( Dhawan et al., 2024 ) | Bag-of-Words | 7.57 1.37 | 2.23 | 2.61 2.08 | 2.42 |
| N-MC IPW | 4.81 0.80 | 1.51 | 1.85 2.01 | 2.49 | |
| N-IPW | 5.23 1.00 | 1.32 | 3.83 1.29 | 1.39 | |
| DeepSeek-V3 | DATA+IPW | 4.31 0.12 | 1.78 | -1.68 1.72 | 5.29 |
| Method | Cluster Size | Group Size | MB | NMB | OT | Recall | Precision | F1 |
| META | - | - | 2.67 0.94 | 0.67 0.47 | 2.33 0.47 | 0.53 0.19 | 0.46 0.08 | 0.49 0.13 |
| DATA | - | 3 | 3.00 0.00 | 0.33 0.47 | 0.00 0.00 | 0.60 0.00 | 0.92 0.12 | 0.72 0.04 |
| COAT | len(factor)+1 | 3 | 4.00 0.82 | 0.33 0.47 | 0.00 0.00 | 0.80 0.16 | 0.93 0.09 | 0.85 0.11 |
| COAT | len(factor)+1 | 1 | 4.67 0.58 | 0.00 0.00 | 0.00 0.00 | 0.93 0.12 | 1.00 0.00 | 0.96 0.06 |
| COAT | 2 | 3 | 3.67 1.53 | 0.00 0.00 | 0.00 0.00 | 0.73 0.31 | 1.00 0.00 | 0.82 0.22 |
| Review Generation | Factor Proposal | MB | NMB | OT | Recall | Precision | F1 |
| DeepSeek-V3-0324 | DeepSeek-V3-0324 | 3.75 0.66 | 0.00 0.00 | 0.44 0.51 | 0.75 0.13 | 0.91 0.10 | 0.82 0.12 |
| GPT-OSS-120B | 5.00 0.00 | 0.00 0.00 | 0.00 0.00 | 1.00 0.00 | 1.00 0.00 | 1.00 0.00 | |
| Qwen3-Next-80B-A3B | 2.94 0.10 | 0.33 0.58 | 0.00 0.00 | 0.59 0.02 | 0.92 0.14 | 0.71 0.04 | |
| GPT-OSS-120B | DeepSeek-V3-0324 | 4.08 1.18 | 0.33 0.58 | 0.00 0.00 | 0.82 0.24 | 0.91 0.15 | 0.86 0.20 |
| GPT-OSS-120B | 5.00 0.00 | 0.00 0.00 | 0.00 0.00 | 1.00 0.00 | 1.00 0.00 | 1.00 0.00 | |
| Qwen3-Next-80B-A3B | 4.33 1.15 | 0.00 0.00 | 0.00 0.00 | 0.87 0.23 | 1.00 0.00 | 0.92 0.14 |
| Factor | Type | Factor Definition |
| Juiciness | Correlated | 1 : Abundant or moist texture described in text |
| 0 : Not mentioned or ambiguous description | ||
| -1 : Dry or lacking moisture | ||
| Color | Irrelevant | 1 : Vibrant or appealing color mentioned |
| 0 : Not mentioned or neutral description | ||
| -1 : Uneven, dull, or unappealing color |
| Injection | Iteration | MB | NMB/OT | Injected Factors | F1 |
| juiciness | 1 | 0.00 0.00 | 1.00 0.00 | 1.00 0.00 | 0.00 0.00 |
| 2 | 3.20 0.98 | 0.20 0.40 | 0.00 0.00 | 0.75 0.16 | |
| 3 | 3.60 0.80 | 0.00 0.00 | 0.00 0.00 | 0.83 0.10 | |
| 4 | 4.00 0.89 | 0.00 0.00 | 0.00 0.00 | 0.88 0.11 | |
| color | 1 | 0.00 0.00 | 0.00 0.00 | 0.00 0.00 | 0.00 0.00 |
| 2 | 2.60 0.49 | 0.60 0.80 | 0.00 0.00 | 0.64 0.14 |
| Buy and Hold | product focus | legal/regulatory issues | market strategy | innovation and technology focus | |
| Expected Return | -3.50 | 0.29 | 0.38 | 0.48 | 0.72 |
| Sharpe Ratio | -2.38 | 0.70 | 0.94 | 1.20 | 1.86 |
| t-Stat | -3.00 | 0.89 | 1.19 | 1.51 | 2.35 |
| Information Ratio | - | 2.45 | 2.50 | 2.56 | 2.73 |
| - | 3.79 | 3.88 | 3.98 | 4.22 | |
| t-Stat | - | 3.09 | 3.15 | 3.23 | 3.44 |
Appendix figures & tables29 assets
Supplementary material from the paper’s appendix.
Appendix
| Notation | Description |
| The LLM for factor proposal. | |
| ( ) | Prompt used (at the -th COAT round) for factor proposal. |
| The LLM for factor parsing. | |
| Prompt used for factor parsing. | |
| Algorithm for causal discovery. In this paper we mainly use FCI. | |
| Unstructured data; treated as a high-dimensional random vector. |
| LLMs | COAT Round | Perception Score | Capacity Score | |
| GPT-4o | iter 1 | 0.82 0.02 | 0.24 0.01 | 0.28 0.02 |
| iter 2 | 0.44 0.08 | 0.26 0.02 | 0.21 0.03 | |
| iter 3 | 0.38 0.12 | 0.19 0.09 | 0.24 0.05 | |
| GPT-4 | iter 1 | 0.78 0.02 | 0.18 0.02 | 0.45 0.04 |
| iter 2 | 0.61 0.08 | 0.26 0.05 | 0.28 0.05 | |
| iter 3 | 0.39 0.28 | 0.22 0.00 | 0.29 0.02 |
| LLM | Method | Factor Proposal | ||||
| PA | AN | OT | Acc | F1 | ||
| GPT-4 | Meta | 3 | 5 | 6 | 0.91 | 0.59 |
| Data | 2 | 2 | 0 | 0.95 | 0.50 | |
| COAT | 3 | 6 | 3 | 0.96 | 0.80 | |
| Data (LiNGAM) | 3 | 3 | 0 | 0.96 | 0.67 | |
| COAT (LiNGAM) | 3 | 6 | 4 | 0.95 | 0.75 | |
| Benchmark Name | Type | Source | Sample | Sample Size | Ground Truth |
| Apple Gastronome | Synthetic Data | This paper. It will be open-sourced under CC-BY 4.0 . | Textual | 200 textual reviews. | Yes |
| Neuropathic | Semi Real-world Data | Tabular samples from Tu et al. (2019) on their GitHub repo under CC-BY 4.0 . Textual samples are generated by this paper. | Textual | 100 synthetic textual data for prompt construction; 1000 tabular data for CI tests. | Yes |
| Brain Tumor | Real-world Data | An open Kaggle data set ( kaggle/brain-tumor-classification-mri ) with an open-sourced project. ( Bhuvaji et al., 2024 ) . MIT License. | Image | 60 MRI samples for COAT and CI tests. The sample size is small due to the expensive API cost. One can easily construct a much larger data set by following our instructions. | No |
| Stock News | Real-world Data | An open Kaggle data set ( kaggle/stock-price-and-news-realted-to-it ) ( Innovations, 2023 ) . MIT License. | Textual with time index | 200 samples for COAT experiments. 400 samples for empirical validation. | No |
| ENSO | Real-world Data | The NOAA 20th Century Reanalysis V3 data set ( Compo et al., 2011 ) from their website at https://psl.noaa.gov (with CC0 1.0 License ). We developed a set of simple tools for LLMs to utilize the official database. | NetCDF | Monthly observation for 1836/01 to 2015/12; 1.0 degree latitude x 1.0 degree longitude global grid (360x181); 90+ climate variables. | No |
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