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Cheng Tang

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Published work

4 published item(s)

preprint2026arXiv

D3-Gym: Constructing Real-World Verifiable Environments for Data-Driven Discovery

Despite recent progress in language models and agents for scientific data-driven discovery, further advancing their capabilities is held back by the absence of verifiable environments representing real-world scientific tasks. To fill this gap, we introduce D3-Gym, the first automatically constructed dataset with verifiable environments for scientific Data-Driven Discovery. D3-Gym comprises (1) 565 tasks sourced from 239 real scientific repositories across four disciplines where (2) each task is equipped with a natural language instruction, an executable environment with pre-installed dependencies, input dataset and artifact previews, a reference code solution, and an automatically synthesized evaluation script. Rigorous evaluation of the quality of the verification signal in D3-Gym confirms that our evaluation scripts achieve 87.5% agreement with human-annotated gold standards and strong alignment in domain-specific evaluation logic, showing their scientific soundness. Further, training on trajectories sampled from D3-Gym yields consistent and substantial gains across Qwen3 models of varying sizes on ScienceAgentBench, boosting Qwen3-32B by 7.8 absolute points and substantially shrinking the gap with strong proprietary models. All D3-Gym artifacts (environments, creation workflow, trajectories, and models) can be found at https://github.com/OSU-NLP-Group/D3-Gym.

preprint2020arXiv

Tuning Band Alignment and Optical Properties of 2D van der Waals Heterostructure via Ferroelectric Polarization Switching

Favourable band alignment and excellent visible light response are vital for photochemical water splitting. In this work, we have theoretically investigated how ferroelectric polarization and its reversibility in direction can be utilized to modulate the band alignment and optical absorption properties. For this objective, 2D van der Waals heterostructures (HTSs) are constructed by interfacing monolayer MoS2 with ferroelectric In2Se3. We find the switch of polarization direction has dramatically changed the band alignment, thus facilitating different type of reactions. In In2Se3/MoS2/In2Se3 heterostructures, one polarization direction supports hydrogen evolution reaction and another polarization direction can favour oxygen evolution reaction. These can be used to create tuneable photocatalyst materials where water reduction reactions can be selectively controlled by polarization switching. The modulation of band alignment is attributed to the shift of reaction potential caused by spontaneous polarization. Additionally, the formed type-II van der Waals HTSs also significantly improve charge separation and enhance the optical absorption in the visible and infrared regions. Our results pave a way in the design of van der Waals HTSs for water splitting using ferroelectric materials.

preprint2016arXiv

Convergence rate of stochastic k-means

We analyze online \cite{BottouBengio} and mini-batch \cite{Sculley} $k$-means variants. Both scale up the widely used $k$-means algorithm via stochastic approximation, and have become popular for large-scale clustering and unsupervised feature learning. We show, for the first time, that starting with any initial solution, they converge to a "local optimum" at rate $O(\frac{1}{t})$ (in terms of the $k$-means objective) under general conditions. In addition, we show if the dataset is clusterable, when initialized with a simple and scalable seeding algorithm, mini-batch $k$-means converges to an optimal $k$-means solution at rate $O(\frac{1}{t})$ with high probability. The $k$-means objective is non-convex and non-differentiable: we exploit ideas from recent work on stochastic gradient descent for non-convex problems \cite{ge:sgd_tensor, balsubramani13} by providing a novel characterization of the trajectory of $k$-means algorithm on its solution space, and circumvent the non-differentiability problem via geometric insights about $k$-means update.

preprint2016arXiv

Convergence rate of stochastic k-means

We analyze online and mini-batch k-means variants. Both scale up the widely used Lloyd 's algorithm via stochastic approximation, and have become popular for large-scale clustering and unsupervised feature learning. We show, for the first time, that they have global convergence towards local optima at $O(\frac{1}{t})$ rate under general conditions. In addition, we show if the dataset is clusterable, with suitable initialization, mini-batch k-means converges to an optimal k-means solution with $O(\frac{1}{t})$ convergence rate with high probability. The k-means objective is non-convex and non-differentiable: we exploit ideas from non-convex gradient-based optimization by providing a novel characterization of the trajectory of k-means algorithm on its solution space, and circumvent its non-differentiability via geometric insights about k-means update.