arXiv subjects

Zhongyao Wang

Publications and source records attributed to Zhongyao Wang.

10 recordsLinked to original sources

arXiv2026

JEPA-Anything: Learning Predictive Models across Different Worlds

World modeling enables intelligence to anticipate consequences, guide interventions, and learn from interaction. Yet predictive models remain domain-specific: can a common learning principle support world modeling across radically different systems? We introduce JEPA-Anything, a domain-agnostic framework based on orthogonal predictive factorization (OPF). Extending joint-embedding predictive architectures, OPF decomposes latent targets into complementary factors, learns them through dedicated pathways, and recombines them within a shared predictive design. We evaluate JEPA-Anything across seven domains: vision, biology, clinical trajectories, control, molecular dynamics, physical fields, and weather. Experiments span representation learning, intervention prediction, out-of-distribution generalization, and long-horizon dynamics, including 10 matched dynamics tasks, forecasting of over 1,000 clinical events, and 100-step molecular rollouts across four systems. Against matched JEPA baselines, JEPA-Anything improves reported metrics on all 10 dynamics tasks and reduces single-intervention prediction error on Interventional Pong by 34.8%. It achieves the lowest one-step and 100-step molecular errors among compared methods in all four systems. Beyond prediction, a factor-nominated biological intervention receives experimental support in cell co-cultures, patient-derived organoids, tumor fragments, and mice; latent orbital modes recover the Keplerian scaling exponent with a fitted slope of -1.4991. These results support a common factorized predictive principle across heterogeneous worlds, connecting world modeling with intervention and experimentally grounded scientific discovery. Code: https://github.com/Gen-Verse/JEPA-Anything

cs.CL↗

arXiv2026

Support Operation Factorization: Compositional Readout of Frozen Vision Encoders under Controlled Interventions

Compositional analysis of frozen vision encoders should determine both what changed and where it changed. Standard factor probes score these axes separately, however, and can reward multiple operations that reuse the same predicted slot. We call this failure operation laundering. We introduce an injectively aligned leave-one-cell-out protocol over support x operation grids and SO-OPF, a readout that factors cell energy into support salience and a competitive operation posterior. This formulation separates two questions that aggregate scores conflate: whether the carrier composes held-out bindings when the grid is known, and whether that grid can be recovered from flat cell labels. With frozen DINOv3 features, known factorial assignment reaches 0.874 injective accuracy on Shapes3D-Extended and 0.799 on globally image-disjoint COCO; learning the assignment from flat labels reaches 0.769 and 0.762, respectively. Under matched-axis-aware supervision on Shapes3D, the factored carrier improves learned-assignment accuracy from 0.653 to 0.841 over a dense carrier and eliminates its laundering gap. SigLIP2 replicates the COCO separation. A rebuilt MuJoCo substrate exposes a boundary: learned-assignment accuracy is 0.569 with DINOv3 and 0.484 with SigLIP2, with substantial slot collapse. Thus factored readout and injective evaluation recover held-out bindings on two substrates while exposing, rather than hiding, a renderer-specific failure boundary; they do not establish universal recovery from flat labels.

cs.CV↗

arXiv2026

VASP Agent: An Agentic Framework for Autonomous First-principles Calculations

Large Language Models (LLMs) are increasingly embedded in agentic frameworks for scientific discovery. First-principles materials computation imposes a demanding standard for autonomy: successful execution depends on internally consistent inputs, supervision of long-running calculations, and verified outputs. Here we present VASP Agent, a coding-agent-centered system that combines reusable domain skills, deterministic tools, workspace-state inspection, runtime evidence, and scientific guardrails to execute multi-step VASP calculations. The system is evaluated across multiple tasks including structural relaxation, bandgap calculation, equilibrium lattice constant determination, and CO/Pt(111) adsorption. VASP Agent completes all evaluated cases, and its computed numerical results are compared with those obtained using pymatgen and other agentic tools. When large deviations occur, the calculation parameters produced by VASP Agent are more appropriate than those produced by LLM-based workflows. Failure analysis shows that errors that terminate fixed pipelines can be diagnosed and recovered under agentic control.

cs.AI↗

arXiv2026

Why Do Few-Step Text Latents Fail When Image Latents Work? Non-Commitment at Sharp Categorical Readouts

Deterministic few-step generation succeeds on continuous image latents but collapses to incoherent text on continuous text latents, and we show the cause is geometric rather than a training or scaling deficiency: a smooth, regularity-limited deterministic map cannot resolve a discrete branch choice before a sharp categorical readout, so few-step failure is governed by decoder sharpness, not transport accuracy. In the overlapping regime of real text autoencoders, we prove (Theorem 3) that the posterior-mean terminal step flips tokens at the rate of the latent mass in an $O(s(t))$ tube around decision boundaries. Two diagnostics, DABI (readout sharpness) and CCI (categorical commitment), measured on published checkpoints show that four independently built continuous-text decoders amplify a boundary-aligned perturbation far beyond a norm-matched isotropic one (DABI from $5\times10^{2}$ to $>10^{5}$), while image decoders have DABI $\approx 1$. Two mechanisms escape the continuous bound: categorical commitment (autoregressive decoders succeed despite sharper readouts) and stochastic re-injection (deterministic ODE at $K=4$ gives PPL 294 versus SDE 50 on the same model). In the idealized separated regime we prove matching sharp transport laws, including a dimension phase diagram: the deterministic stiffness needed to separate $M$ modes grows as $Θ(\sqrt{\log M})$ once the latent dimension is $Ω(\log M)$ (and as $M^{1/n}$ in fixed dimension), with a depth-$B$ hierarchy giving a $\sqrt{B}$-smaller per-step peak (Theorems 5-7); a coarea identity links these to the overlapping tube (Theorem 17). The result is an accuracy-depth-stiffness tradeoff: within the deterministic-continuous class the cost is irreducible, and both escapes step outside it.

cs.LG↗

arXiv2026

Equivariant Evidential Deep Learning for Interatomic Potentials

Uncertainty quantification (UQ) is critical for assessing the reliability of machine learning interatomic potentials (MLIPs) in molecular dynamics (MD) simulations, identifying extrapolation regimes and enabling uncertainty-aware workflows such as active learning for training dataset construction. Existing UQ approaches for MLIPs are often limited by high computational cost or suboptimal performance. Evidential deep learning (EDL) provides a theoretically grounded single-model alternative that determines both aleatoric and epistemic uncertainty in a single forward pass. However, extending evidential formulations from scalar targets to vector-valued quantities such as atomic forces introduces substantial challenges, particularly in maintaining statistical self-consistency under rotational transformations. To address this, we propose \textit{Equivariant Evidential Deep Learning for Interatomic Potentials} ($\text{e}^2$IP), a backbone-agnostic framework that models atomic forces and their uncertainty jointly by representing uncertainty as a full $3\times3$ symmetric positive definite covariance tensor that transforms equivariantly under rotations. Experiments on diverse molecular benchmarks show that $\text{e}^2$IP provides a stronger accuracy-efficiency-reliability balance than the non-equivariant evidential baseline and the widely used ensemble method. It also achieves better data efficiency through the fully equivariant architecture while retaining single-model inference efficiency.

cs.LG↗

arXiv2025

Iterative Pretraining Framework for Interatomic Potentials

Machine learning interatomic potentials (MLIPs) enable efficient molecular dynamics (MD) simulations with ab initio accuracy and have been applied across various domains in physical science. However, their performance often relies on large-scale labeled training data. While existing pretraining strategies can improve model performance, they often suffer from a mismatch between the objectives of pretraining and downstream tasks or rely on extensive labeled datasets and increasingly complex architectures to achieve broad generalization. To address these challenges, we propose Iterative Pretraining for Interatomic Potentials (IPIP), a framework designed to iteratively improve the predictive performance of MLIP models. IPIP incorporates a forgetting mechanism to prevent iterative training from converging to suboptimal local minima. Unlike general-purpose foundation models, which frequently underperform on specialized tasks due to a trade-off between generality and system-specific accuracy, IPIP achieves higher accuracy and efficiency using lightweight architectures. Compared to general-purpose force fields, this approach achieves over 80% reduction in prediction error and up to 4x speedup in the challenging Mo-S-O system, enabling fast and accurate simulations.

physics.comp-ph↗

arXiv2024

Policy Learning for Balancing Short-Term and Long-Term Rewards

Empirical researchers and decision-makers spanning various domains frequently seek profound insights into the long-term impacts of interventions. While the significance of long-term outcomes is undeniable, an overemphasis on them may inadvertently overshadow short-term gains. Motivated by this, this paper formalizes a new framework for learning the optimal policy that effectively balances both long-term and short-term rewards, where some long-term outcomes are allowed to be missing. In particular, we first present the identifiability of both rewards under mild assumptions. Next, we deduce the semiparametric efficiency bounds, along with the consistency and asymptotic normality of their estimators. We also reveal that short-term outcomes, if associated, contribute to improving the estimator of the long-term reward. Based on the proposed estimators, we develop a principled policy learning approach and further derive the convergence rates of regret and estimation errors associated with the learned policy. Extensive experiments are conducted to validate the effectiveness of the proposed method, demonstrating its practical applicability.

cs.LG↗

arXiv2023

UniMatch: A Unified User-Item Matching Framework for the Multi-purpose Merchant Marketing

When doing private domain marketing with cloud services, the merchants usually have to purchase different machine learning models for the multiple marketing purposes, leading to a very high cost. We present a unified user-item matching framework to simultaneously conduct item recommendation and user targeting with just one model. We empirically demonstrate that the above concurrent modeling is viable via modeling the user-item interaction matrix with the multinomial distribution, and propose a bidirectional bias-corrected NCE loss for the implementation. The proposed loss function guides the model to learn the user-item joint probability $p(u,i)$ instead of the conditional probability $p(i|u)$ or $p(u|i)$ through correcting both the users and items' biases caused by the in-batch negative sampling. In addition, our framework is model-agnostic enabling a flexible adaptation of different model architectures. Extensive experiments demonstrate that our framework results in significant performance gains in comparison with the state-of-the-art methods, with greatly reduced cost on computing resources and daily maintenance.

cs.IR↗

arXiv2022

Who is next: rising star prediction via diffusion of user interest in social networks

Finding items with potential to increase sales is of great importance in online market. In this paper, we propose to study this novel and practical problem: rising star prediction. We call these potential items Rising Star, which implies their ability to rise from low-turnover items to best-sellers in the future. Rising stars can be used to help with unfair recommendation in e-commerce platform, balance supply and demand to benefit the retailers and allocate marketing resources rationally. Although the study of rising star can bring great benefits, it also poses challenges to us. The sales trend of rising star fluctuates sharply in the short-term and exhibits more contingency caused by some external events (e.g., COVID-19 caused increasing purchase of the face mask) than other items, which cannot be solved by existing sales prediction methods. To address above challenges, in this paper, we observe that the presence of rising stars is closely correlated with the early diffusion of user interest in social networks, which is validated in the case of Taocode (an intermediary that diffuses user interest in Taobao). Thus, we propose a novel framework, RiseNet, to incorporate the user interest diffusion process with the item dynamic features to effectively predict rising stars. Specifically, we adopt a coupled mechanism to capture the dynamic interplay between items and user interest, and a special designed GNN based framework to quantify user interest. Our experimental results on large-scale real-world datasets provided by Taobao demonstrate the effectiveness of our proposed framework.

cs.SI↗

arXiv2021

How Powerful are Interest Diffusion on Purchasing Prediction: A Case Study of Taocode

A taocode is a kind of specially coded text-link on Taobao(the world's biggest online shopping website), through which users can share messages about products with each other. Analyzing taocodes can potentially facilitate understanding of the social relationships between users and, more excitingly, their online purchasing behaviors under the influence of taocode diffusion. This paper innovatively investigates the problem of online purchasing predictions from an information diffusion perspective, with taocode as a case study. Specifically, we conduct profound observational studies on a large-scale real-world dataset from Taobao, containing over 100M Taocode sharing records. Inspired by our observations, we propose InfNet, a dynamic GNN-based framework that models the information diffusion across Taocode. We then apply InfNet to item purchasing predictions. Extensive experiments on real-world datasets validate the effectiveness of InfNet compared with 8 state-of-the-art baselines.

cs.SI↗