Yurong Yang

Xingyue Ma, Hongying Chen, Ri He et al.

The first-principles-based effective Hamiltonian scheme provides one of the most accurate modeling technique for large-scale structures, especially for ferroelectrics. However, the parameterization of the effective Hamiltonian is complicated and can be difficult for some complex systems such as high-entropy perovskites. Here, we propose a general form of effective Hamiltonian and develop an active machine learning approach to parameterize the effective Hamiltonian based on Bayesian linear regression. The parameterization is employed in molecular dynamics simulations with the prediction of energy, forces, stress and their uncertainties at each step, which decides whether first-principles calculations are executed to retrain the parameters. Structures of BaTiO$_3$, Pb(Zr$_{0.75}$Ti$_{0.25}$)O$_3$ and (Pb,Sr)TiO$_3$ system are taken as examples to show the accuracy of this approach, as compared with conventional parametrization method and experiments. This machine learning approach provides a universal and automatic way to compute the effective Hamiltonian parameters for any considered complex systems with super-large-scale (more than $10^7$ atoms) atomic structures.

Junwei Pan, Wei Xue, Chao Zhou et al.

Generative recommender systems are rapidly emerging as a new paradigm for recommendation, where collaborative identifiers and/or multi-modal content are mapped into discrete token spaces and user behavior is modelled with autoregressive sequence models. Despite progress on multi-modal recommendation datasets, there is still a lack of public benchmarks that jointly offer large-scale, realistic and fully all-modality data designed specifically for generative recommendation (GR) in industrial advertising. To foster research in this direction, we organised the Tencent Advertising Algorithm Challenge 2025, a global competition built on top of two all-modality datasets for GR: TencentGR-1M and TencentGR-10M. Both datasets are constructed from real de-identified Tencent Ads logs and contain rich collaborative IDs and multi-modal representations extracted with state-of-the-art embedding models. The preliminary track (TencentGR-1M) provides 1 million user sequences with up to 100 interacted items each, where each interaction is labeled with exposure and click signals, while the final track (TencentGR-10M) scales this to 10 million users and explicitly distinguishes between click and conversion events at both the sequence and target level. This paper presents the task definition, data construction process, feature schema, baseline GR model, evaluation protocol, and key findings from top-ranked and award-winning solutions. Our datasets focus on multi-modal sequence generation in an advertising setting and introduce weighted evaluation for high-value conversion events. We release our datasets at https://huggingface.co/datasets/TAAC2025 and baseline implementations at https://github.com/TencentAdvertisingAlgorithmCompetition/baseline_2025 to enable future research on all-modality generative recommendation at an industrial scale. The official website is https://algo.qq.com/2025.