Search arXiv⌕ Search
Home/Archive/arXiv

arXiv · 2610.24601

TCMScience: An Autonomous Scientist for Traditional Chinese Medicine

Yanlan Kang·Ruiqi Liu·Xinpei Gu·Tzu-Yi Lei·Shuai Xu·Xukun Zhang·William Cheng-Chung Chu
View original source ↗Read source document ↗Export metadata ↓

Abstract

Traditional Chinese medicine (TCM) research connects classical texts, medicinal entities, molecular assays, computational predictions, and clinical studies. An autonomous research agent must preserve the inferential boundaries between these evidence types while coordinating analysis across heterogeneous resources. We introduce TCMScience, a scientific knowledge-discovery agent that separates language-model proposals from execution and release authority. Its architecture combines a trusted kernel, a scientific compiler, and claim-support contracts: plans are compiled into typed operations, execution is bounded by explicit permissions, and candidate findings are checked against source provenance, study design, and claim scope before release. The full capability registry contains 117 public-source connectors with 444 typed operations across 29 domains and 150 native tools across 12 domains; the TCM data hub catalogs 136 databases, 76 dataset specifications, and 84,294 formula-source records. These resources support model-independent workflows through browser and local execution interfaces. In a network-pharmacology analysis of Gegen Qinlian Tang, replacing the whole-proteome background with the assayed-protein background changed the number of significant pathways from 66 to zero; incorporating inactive screening records identified nine pathways, including drug-metabolism signals retained as mechanistic hypotheses. A governance ablation over 121 constructed erroneous outputs spanning 26 classes released 121 errors without governance, 57 with the domain layer, seven with the kernel, and zero with both layers. All 10 compliant controls were retained. These results establish complementary control of known failure modes and show how explicit evidence contracts change the conclusions an agent is permitted to report.

Explore related subjects

cs.LG

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

Yanlan Kang, Ruiqi Liu, Xinpei Gu, Tzu-Yi Lei, Shuai Xu, Xukun Zhang, William Cheng-Chung Chu. 2026-10-17. TCMScience: An Autonomous Scientist for Traditional Chinese Medicine. https://arxiv.org/abs/2610.24601

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related papers

arXiv2026

Solving Inverse Problems via Diffusion-Based Priors: An Approximation-Free Ensemble Sampling Approach

Diffusion models (DMs) have proven to be effective in modeling high-dimensional distributions, leading to their widespread adoption for representing complex priors in Bayesian inverse problems (BIPs). However, current DM-based posterior sampling methods proposed for solving common BIPs rely on heuristic approximations to the generative process. To exploit the generative capability of DMs and avoid the usage of such approximations, we propose an ensemble-based algorithm that performs posterior sampling without the use of heuristic approximations. Our algorithm is motivated by existing work that combines DM-based methods with the sequential Monte Carlo (SMC) method. By examining how the prior evolves through the diffusion process encoded by the pre-trained score function, we derive a modified partial differential equation (PDE) governing the evolution of the corresponding posterior distribution. This PDE includes a modified diffusion term and a reweighting term, which can be simulated via stochastic weighted particle methods. Theoretically, we prove that the error between the true posterior and the empirical distribution of the generated samples can be bounded in terms of the training error of the pre-trained score function and the number of particles in the ensemble. Empirically, we validate our algorithm on several inverse problems in imaging to show that our method gives more accurate reconstructions compared to existing DM-based methods. Our code is available at the following Github repository~\url{https://github.com/HaoxuanSteveC00/AFDPS-TMLR}.

cs.LG↗
arXiv2026

Optimal hypersurface decision trees

Optimal decision trees have attracted increasing attention in recent years, yet existing algorithms face two closely related challenges. First, the trees they construct have limited expressivity because their splitting rules are typically restricted to axis-parallel splits or binary features. Second, these algorithms generally scale poorly to large datasets. These challenges compound one another: more expressive splitting rules increase the combinatorial complexity of the search space, making the resulting optimal decision tree (ODT) problem even more difficult to solve. Building on the proper decision tree framework of \citet{he2025odt}, we propose, to the best of our knowledge, the first algorithm for constructing optimal decision trees with hypersurface splits. The algorithm has worst-case work complexity $O\left(K!K N^{KG+1}\right)$ when $N\geq K$ and fixed-dimensional feasibility tests are treated as constant-cost operations, where $G=\binom{D+M}{M}-1$ depends on the hypersurface polynomial degree $M$ and the data dimension $D$. Its structure is naturally amenable to vectorization and parallelization, enabling efficient execution on GPUs, and the generic algorithm design can be used to accelerate other ODT variants, such as axis-parallel decision (ADT) trees. We further develop a safe pruning strategy that substantially reduces the number of candidate configurations and an incremental generation procedure that reduces the associated feasibility-checking cost from $O(K^2)$ to $O(K)$.

cs.LG↗
arXiv2026

SPRINT: Stochastic Performative Prediction With Variance Reduction

Performative prediction (PP) is an algorithmic framework for optimizing machine learning (ML) models where the model's deployment affects the distribution of the data it is trained on. Compared to traditional ML with fixed data, designing algorithms in PP converging to a stable point -- known as a stationary performative stable (SPS) solution -- is more challenging than the counterpart in conventional ML tasks due to the model-induced distribution shifts. While considerable efforts have been made to find SPS solutions using methods such as repeated gradient descent (RGD) and greedy stochastic gradient descent (SGD-GD), most prior studies assumed a strongly convex loss until a recent work established $O(1/\sqrt{T})$ convergence of SGD-GD to SPS solutions under smooth, non-convex losses. However, this latest progress is still based on the restricted bounded variance assumption in stochastic gradient estimates and yields convergence bounds with a non-vanishing error neighborhood that scales with the variance. This limitation motivates us to improve convergence rates and reduce error in stochastic optimization for PP, particularly in non-convex settings. Thus, we propose a new algorithm called stochastic performative prediction with variance reduction (SPRINT) and establish its convergence to an SPS solution at a rate of $O(1/T)$. Notably, the resulting error neighborhood is independent of the variance of the stochastic gradients. Experiments on multiple real datasets with non-convex models demonstrate that SPRINT outperforms SGD-GD in both convergence rate and stability.

cs.LG↗