相关论文: DriftingMol: Decoder-Coupled Drift for One-Pass Pr…

Pretraining molecular representations from large unlabeled data is essential for molecular property prediction due to the high cost of obtaining ground-truth labels. While there exist various 2D graph-based molecular pretraining approaches,…

We examine the distinct part of the density autocorrelation function Fd(q,t), also called the intermediate scattering function, from the point of view of the vibration-transit (V-T) theory of monatomic liquid dynamics. A similar study has…

This paper investigated the distributed leader follower formation control problem for multiple differentially driven mobile robots. A distributed estimator is first introduced and it only requires the state information from each follower…

Autoregressive language models can often identify parallel subproblems, but standard decoding exposes only a single left-to-right output interface. External orchestration methods can launch multiple prompts concurrently, yet they provide no…

Recent disentangled representation learning (DRL) methods heavily rely on factor specific strategies-either learning objectives for attributes or model architectures for objects-to embed inductive biases. Such divergent approaches result in…

We introduce the Kernel-Elastic Autoencoder (KAE), a self-supervised generative model based on the transformer architecture with enhanced performance for molecular design. KAE is formulated based on two novel loss functions: modified…

In this paper we introduce 1-$D$ and 2-$D$ discrete models for the dynamic granular matter formation process in the form of a system of difference equations. This approach allows us to differentiate between the influx of the rolling layer…

The paper presents a 1D2V electrostatic PIC model with a drift-kinetic description of all particle types aiming at simulating classical longitudinal plasma transport in axially symmetric open traps. The model generalizes the semi-implicit…

Discrete diffusion models have recently shown great promise for modeling complex discrete data, with masked diffusion models (MDMs) offering a compelling trade-off between quality and generation speed. MDMs denoise by progressively…

Existing top-performance autonomous driving systems typically rely on the multi-modal fusion strategy for reliable scene understanding. This design is however fundamentally restricted due to overlooking the modality-specific strengths and…

Drifting Models have emerged as a new paradigm for one-step generative modeling, achieving strong image quality without iterative inference. The premise is to replace the iterative denoising process in diffusion models with a single…

Since its introduction in 1952, Turing's (pre-)pattern theory ("the chemical basis of morphogenesis") has been widely applied to a number of areas in developmental biology. The related pattern formation models normally comprise a system of…

Probabilistic models with discrete latent variables naturally capture datasets composed of discrete classes. However, they are difficult to train efficiently, since backpropagation through discrete variables is generally not possible. We…

While diffusion models excel at image synthesis, useful representations have been shown to emerge from generative pre-training, suggesting a path towards unified generative and discriminative learning. However, suboptimal semantic flow…

Material parameters such as thermal diffusivity govern how microstructural fields evolve during processing, but difficult to measure directly. The Stability-Aware Frozen Euler Physics-Informed Tracking for Continuum Mechanics (SAFE-PIT-CM),…

Key objectives in conditional molecular generation include ensuring chemical validity, aligning generated molecules with target properties, promoting structural diversity, and enabling efficient sampling for discovery. Recent advances in…

Designing biological sequences that satisfy multiple, often conflicting, functional and biophysical criteria remains a central challenge in biomolecule engineering. While discrete flow matching models have recently shown promise for…

Graph generative models are essential across diverse scientific domains by capturing complex distributions over relational data. Among them, graph diffusion models achieve superior performance but face inefficient sampling and limited…

Generative motion prediction must satisfy three simultaneous requirements for real-world autonomy: high accuracy, diverse multimodal futures, and strictly bounded latency. Diffusion models meet the first two but violate the third, requiring…

Existing image generation models face critical challenges regarding the trade-off between computation and fidelity. Specifically, models relying on a pretrained Variational Autoencoder (VAE) suffer from information loss, limited detail, and…