相关论文: Exploring Synthesizable Chemical Space with Iterat…

The design of high-performance optical systems remains a specialized domain gated by the limited availability of expert engineers, creating a bottleneck that stalls innovation despite the growing demand for imaging hardware. While deep…

The scale and quality of datasets are crucial for training robust perception models. However, obtaining large-scale annotated data is both costly and time-consuming. Generative models have emerged as a powerful tool for data augmentation by…

Generative design refers to computational design methods that can automatically conduct design exploration under constraints defined by designers. Among many approaches, topology optimization-based generative designs aim to explore diverse…

Behavioural differences across organisms, whether healthy or pathological, are closely tied to the structure of their neural circuits. Yet, the fine-scale synaptic changes that give rise to these variations remain poorly understood, in part…

Personalized image generation has emerged from the recent advancements in generative models. However, these generated personalized images often suffer from localized artifacts such as incorrect logos, reducing fidelity and fine-grained…

Retrosynthesis is a major task for drug discovery. It is formulated as a graph-generating problem by many existing approaches. Specifically, these methods firstly identify the reaction center, and break target molecule accordingly to…

While recent advances in image editing have enabled impressive visual synthesis capabilities, current methods remain constrained by explicit textual instructions and limited editing operations, lacking deep comprehension of implicit user…

Over the last decade, there has been significant progress in the field of machine learning for de novo drug design, particularly in deep generative models. However, current generative approaches exhibit a significant challenge as they do…

Topology Optimization seeks to find the best design that satisfies a set of constraints while maximizing system performance. Traditional iterative optimization methods like SIMP can be computationally expensive and get stuck in local…

Potential radioactive hazards in full-dose positron emission tomography (PET) imaging remain a concern, whereas the quality of low-dose images is never desirable for clinical use. So it is of great interest to translate low-dose PET images…

Multi-step reasoning remains a central challenge for large language models: single-pass generation is efficient but lacks accuracy; tree-search methods explore multiple paths but are computation-heavy. We address this gap by distilling…

Novel multimodal imaging methods are capable of generating extensive, super high resolution datasets for preclinical research. Yet, a massive lack of annotations prevents the broad use of deep learning to analyze such data. So far, existing…

Current one-pass 3D scene synthesis methods often suffer from spatial hallucinations, such as collisions, due to a lack of deliberative reasoning. To bridge this gap, we introduce SceneReVis, a vision-grounded self-reflection framework that…

Retrosynthesis planning is a fundamental challenge in chemistry which aims at designing reaction pathways from commercially available starting materials to a target molecule. Each step in multi-step retrosynthesis planning requires accurate…

Graphic design generation demands a delicate balance between high visual fidelity and fine-grained structural editability. However, existing approaches typically bifurcate into either non-editable raster image synthesis or abstract layout…

Retrieval-Augmented Generation (RAG) has emerged as a way to complement the in-context knowledge of Large Language Models (LLMs) by integrating external documents. However, real-world applications demand not only accuracy but also…

Causal inference is essential for developing and evaluating medical interventions, yet real-world medical datasets are often difficult to access due to regulatory barriers. This makes synthetic data a potentially valuable asset that enables…

Large language model (LLM) agents have emerged as a promising solution to automate the workflow of machine learning, but most existing methods share a common limitation: they attempt to optimize entire pipelines in a single step before…

The design of biological systems is hindered by uncertainty arising from both intrinsic stochasticity of biomolecular reactions and variability across laboratory or experimental conditions. In this work, we present a sequential framework to…

Designing a single molecule that modulates two targets is a promising strategy for polypharmacology, but it remains substantially harder than standard single-target generation because one candidate must satisfy two binding requirements…