In Table 1, we report the cross-task testbed results in two transfer learning settings, i.e., (a) node classification to link prediction (Table 1a) and (b) link prediction to node classification (Table 1b).

Bayesian Optimization with multi-objective acquisition functions such as q-Expected Hypervolume Improvement (qEHVI) requires efficient candidate optimization to maximize acquisition function values. Traditional approaches rely on continuous optimization methods like Sequential Least Squares Programming (SLSQP) for candidate selection. However, these gradient-based methods can become trapped in local optima, particularly in complex or high-dimensional objective landscapes. This paper presents a simulated annealing-based approach for candidate optimization in batch acquisition functions as an alternative to conventional continuous optimization methods. We evaluate our simulated annealing approach against SLSQP across four benchmark multi-objective optimization problems: ZDT1 (30D, 2 objectives), DTLZ2 (7D, 3 objectives), Kursawe (3D, 2 objectives), and Latent-Aware (4D, 2 objectives). Our results demonstrate that simulated annealing consistently achieves superior hypervolume performance compared to SLSQP in most test functions. The improvement is particularly pronounced for DTLZ2 and Latent-Aware problems, where simulated annealing reaches significantly higher hypervolume values and maintains better convergence characteristics. The histogram analysis of objective space coverage further reveals that simulated annealing explores more diverse and optimal regions of the Pareto front. These findings suggest that metaheuristic optimization approaches like simulated annealing can provide more robust and effective candidate optimization for multi-objective Bayesian optimization, offering a promising alternative to traditional gradient-based methods for batch acquisition function optimization.

Given a probability distribution $μ$ in $\mathbb{R}^d$ represented by data, we study in this paper the generative modeling of its conditional probability distributions on the level-sets of a collective variable $ξ: \mathbb{R}^d \rightarrow \mathbb{R}^k$, where $1 \le k

Though the two countries are now in a race to develop atomic technology, China's most advanced reactor was the result of collaboration with American scientists. This April, in a speech given at the Shanghai branch of the Chinese Academy of Sciences, the physicist Xu Hongjie announced a breakthrough. For over a decade, his team had been working on an experimental nuclear reactor that runs on a lava-hot solution of fissile material and molten salt, rather than on solid fuel. The reactor, which went online two years ago, was a feat in itself. It is still the only one of its kind in operation in the world, and has the potential to be both safer and more efficient than the water-cooled nuclear plants that dominate the industry. Now, Xu explained, his team had been able to refuel the reactor without shutting it down, demonstrating a level of mastery over their new system. As dazzling as that was, the timing of Xu's speech also freighted the topic with geopolitical import. Only a few months earlier, DeepSeek, the Chinese artificial-intelligence company, had set alarms ringing through the U.S. tech world when it became clear that the relatively small Chinese startup, operating under U.S. export controls, had created a large language model that rivalled anything devised by the behemoths of Silicon Valley.

Almost all scientific data have uncertainties originating from different sources. Gaussian process regression (GPR) models are a natural way to model data with Gaussian-distributed uncertainties. GPR also has the benefit of reducing I/O bandwidth and storage requirements for large scientific simulations. However, the reconstruction from the GPR models suffers from high computation complexity. To make the situation worse, classic approaches for visualizing the data uncertainties, like probabilistic marching cubes, are also computationally very expensive, especially for data of high resolutions. In this paper, we accelerate the level-crossing probability calculation efficiency on GPR models by subdividing the data spatially into a hierarchical data structure and only reconstructing values adaptively in the regions that have a non-zero probability. For each region, leveraging the known GPR kernel and the saved data observations, we propose a novel approach to efficiently calculate an upper bound for the level-crossing probability inside the region and use this upper bound to make the subdivision and reconstruction decisions. We demonstrate that our value occurrence probability estimation is accurate with a low computation cost by experiments that calculate the level-crossing probability fields on different datasets.

Diffusion-based samplers -- Score Based Diffusions, Bridge Diffusions and Path Integral Diffusions -- match a target at terminal time, but the real leverage comes from choosing the schedule that governs the intermediate-time dynamics. We develop a path-wise schedule -- selection gramework for Harmonic PID with a time-varying stiffness, exploiting Piece-Wise-Constant(PWC) parametrizations and a simple hierarchical refinement. We introduce schedule-sensitive Quality-of-Sampling (QoS) diagnostics. Assuming a Gaussian-Mixture (GM) target, we retain closed-form Green functions' ration and numerically stable, Neural-Network free oracles for predicted-state maps and score. Experiments in 2D show that QoS driven PWC schedules consistently improve early-exit fidelity, tail accuracy, conditioning of the dynamics, and speciation (label-selection) timing at fixed integration budgets.