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

Generative modeling aims to generate new data samples that resemble a given dataset, with diffusion models recently becoming the most popular generative model. One of the main challenges of diffusion models is solving the problem in the…

Designing materials with targeted properties remains challenging due to the vastness of chemical space and the scarcity of property-labeled data. While recent advances in generative models offer a promising way for inverse design, most…

Coarse-grained molecular models of proteins permit access to length and time scales unattainable by all-atom models and the simulation of processes that occur on long-time scales such as aggregation and folding. The reduced resolution…

This paper presents a data-driven method for constructing a Koopman linear model based on the Direct Encoding (DE) formula. The prevailing methods, Dynamic Mode Decomposition (DMD) and its extensions are based on least squares estimates…

Multimodal learning often encounters the under-optimized problem and may have worse performance than unimodal learning. Existing methods attribute this problem to the imbalanced learning between modalities and rebalance them through…

End-to-end transformer architectures have driven significant progress in multi-object tracking by unifying detection and association into a single, heuristic-free framework. Despite these benefits, poor detection performance and the…

The design of target-specific molecules such as small molecules, peptides, and antibodies is vital for biological research and drug discovery. Existing generative methods are restricted to single-domain molecules, failing to address…

Generating the periodic structure of stable materials is a long-standing challenge for the material design community. This task is difficult because stable materials only exist in a low-dimensional subspace of all possible periodic…

Drug discovery is a complex process that involves multiple stages and tasks. However, existing molecular generative models can only tackle some of these tasks. We present Generalist Molecular generative model (GenMol), a versatile framework…

Motion forecasting and planning are tasked with estimating the trajectories of traffic agents and the ego vehicle, respectively, to ensure the safety and efficiency of autonomous driving systems in dynamically changing environments.…

Standard decoding approaches rely on model-based channel estimation methods to compensate for varying channel effects, which degrade in performance whenever there is a model mismatch. Recently proposed Deep learning based neural decoders…

Learned image compression (LIC) increasingly requires reconstructions that balance distortion fidelity and perceptual realism across a wide range of bitrates. However, most existing methods still rely on a single compressed latent…

We demonstrate a single-atom maser consisting of a semiconductor double quantum dot (DQD) that is embedded in a high quality factor microwave cavity. A finite bias drives the DQD out of equilibrium, resulting in sequential single electron…

Large language models produce repetitive output when prompted independently across many batches, a phenomenon we term cross-batch mode collapse: the progressive loss of output diversity when a language model is prompted repeatedly without…

Diffusion probabilistic models have been shown to generate state-of-the-art results on several competitive image synthesis benchmarks but lack a low-dimensional, interpretable latent space, and are slow at generation. On the other hand,…

We propose to learn a low-dimensional probabilistic deformation model from data which can be used for registration and the analysis of deformations. The latent variable model maps similar deformations close to each other in an encoding…

Conditional medical image generation plays an important role in many clinically relevant imaging tasks. However, existing methods still face a fundamental challenge in balancing inference efficiency, patient-specific fidelity, and…

We present a model for decoherence in time-dependent transport. It boils down into a form of wave function that undergoes a smooth stochastic drift of the phase in a local basis, the Quantum Drift (QD) model. This drift is nothing else but…

In recent years, diffusion models have demonstrated remarkable potential across diverse domains, from vision generation to language modeling. Transferring its generative capabilities to modern end-to-end autonomous driving systems has also…

Spatial reaction-diffusion models have been employed to describe many emergent phenomena in biological systems. The modelling technique most commonly adopted in the literature implements systems of partial differential equations (PDEs),…