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Tsuyoshi Okita

Tsuyoshi Okita contributes to research discovery and scholarly infrastructure.

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Artificial Intelligence Machine Learning Computation and Language Emerging Technologies

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preprint2026arXiv

Excluding the Target Domain Improves Extrapolation: Deconfounded Hierarchical Physics Constraints

Extrapolation to out-of-distribution conditions is a fundamental challenge for physics-constrained deep generative models. Existing methods apply physical constraints as a single static regularization term uniformly across the generation process, and address neither the hierarchical structure of physical laws and the confounding variable problem. We propose the Deconfounded Hierarchical Gate (DHG), which serves as a diagnostic and control mechanism: it identifies when and how strongly temperature confounding contaminates each constraint level, so that hierarchical gates reflect intrinsic physical inconsistency rather than spurious temperature effects. DHG combines counterfactual estimation via the do-operator with backdoor adjustment to remove confounding, then applies Coarse-to-Fine physical constraints progressively. We report a counter-intuitive finding in pretraining: excluding the target-domain data from pretraining outperforms including it by 39% in extrapolation performance (RMSE 0.224 vs. 0.324). This occurs because FNO learns domain-agnostic physical patterns that transfer more effectively when the target domain is withheld. On a lithium-ion battery temperature extrapolation benchmark (trained at 24 degrees Celsius, evaluated at 4.0--43.0 degrees Celsius), our method achieves RMSE = 0.215, a 46% improvement over the unconstrained baseline (Pure CFM: 0.397).

preprint2026arXiv

Intervention-Based Time Series Causal Discovery via Simulator-Generated Interventional Distributions

We propose SVAR-FM (Structural VAR with Flow Matching), a framework for time series causal discovery that treats a physics-based simulator as a mechanical realization of Pearl's do operator. Clamping a variable inside the simulator physically severs confounding paths, producing interventional data by construction. Conditional Flow Matching then learns the nonlinear interventional conditionals. Theoretically, we prove that the full structural VAR becomes identifiable under a coverage condition on the simulator-clampable variables, and derive an end-to-end error bound that decomposes into Monte Carlo, simulator fidelity, and Flow Matching terms. A sign-flip corollary predicts that when simulator accuracy falls below a threshold, the estimated causal effect reverses sign. Empirically, a benchmark across four scientific domains confirms that SVAR-FM recovers the correct causal sign where observational methods produce sign-reversed estimates due to confounding. A case study in ultrafast laser physics verifies the sign-flip prediction by physically varying the accuracy level of a first-principles quantum solver: the low-accuracy setting reverses the causal sign, while the high-accuracy setting recovers the correct direction (R-squared = 0.983, zero bias).

preprint2026arXiv

Mathematical Reasoning via Intervention-Based Time-Series Causal Discovery Using LLMs as Concept Mastery Simulators

Recent methods for improving LLM mathematical reasoning, whether through MCTS-based test-time search or causal graph-guided knowledge injection, cannot identify which concepts causally contribute to a correct answer, as the observed association may be spurious, driven by confounders such as problem difficulty. We propose CIKA (Causal Intervention for Knowledge Activation), a framework that uses the LLM itself as an interventional simulator: a prompt sets the concept state to ``mastered'' and the correctness change estimates the causal effect. We formalize this quantity as an Interventional Capability Probe (ICP), which diagnoses whether the LLM can use a given concept -- distinct from merely possessing knowledge. Because the intervention exogenously sets the concept state independently of problem difficulty, ICP separates confounding that observational methods cannot. On 67 screened problems, the ICP of the top-ranked concept (+0.219) is significantly larger than that of the negative control (+0.039; paired $t$-test, $p < 10^{-6}$, Cohen's $d = 0.86$), confirming that the probe discriminates causally relevant concepts from irrelevant ones. Analysis of 601 Omni-MATH problems further shows that solved problems have 6.1$\times$ higher ATE than unsolved ones (0.338 vs. 0.055), confirming that ICP is predictive of problem-solving success. With a 7B-parameter LLM whose weights are entirely frozen, CIKA achieves 69.7\% on the contamination-free Omni-MATH-Rule benchmark and 64.0\% overall, compared to 60.5\% for o1-mini, and 97.2\% on GSM8K, 46--50\% on AIME 2024--2026, and 46.2\% on MathArena. The Causal Knowledge Activation component contributes 33.8\% of correct answers on problems where the base model alone fails, demonstrating that the LLM already possessed but had not activated the requisite knowledge.

preprint2026arXiv

Physical Simulators as Do-Operators: Causal Discovery under Latent Confounders for AI-for-Science

Existing interventional causal discovery methods -- IGSP, DCDI, ENCO -- assume causal sufficiency (no latent confounders) and rely on virtual interventions in synthetic simulators. In AI-for-Science settings such as molecular design and materials science, latent confounders are ubiquitous and real interventions (e.g., physics-based simulations) require hours to days per data point. We propose CFM-SD (Causal Flow Matching with Simulation Data), which uses first-principles physical simulators as do-operators in Pearl's interventional calculus to simultaneously handle latent confounders and real interventional data. Theoretically, $d$-variable causal structure is identifiable with $O(d)$ single-variable interventions -- the minimum under physical realizability constraints. In Intrinsic Evaluation on synthetic data ($γ=0.2$--$0.8$), CFM-SD achieves average F1$=0.800$ vs. F1$=0.127$--$0.562$ for all baselines. In Extrinsic Evaluation on real scientific data, CFM-SD achieves 57--58\% bias reduction in molecular toxicity prediction and battery electrolyte optimization, demonstrating practical value beyond synthetic benchmarks.

preprint2020arXiv

Translation Between Waves, wave2wave

The understanding of sensor data has been greatly improved by advanced deep learning methods with big data. However, available sensor data in the real world are still limited, which is called the opportunistic sensor problem. This paper proposes a new variant of neural machine translation seq2seq to deal with continuous signal waves by introducing the window-based (inverse-) representation to adaptively represent partial shapes of waves and the iterative back-translation model for high-dimensional data. Experimental results are shown for two real-life data: earthquake and activity translation. The performance improvements of one-dimensional data was about 46% in test loss and that of high-dimensional data was about 1625% in perplexity with regard to the original seq2seq.

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