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Face image super resolution (face hallucination) usually relies on facial priors to restore realistic details and preserve identity information. Recent advances can achieve impressive results with the help of GAN prior. They either design…

Computer Vision and Pattern Recognition · Computer Science 2022-03-15 Jingwen He , Wu Shi , Kai Chen , Lean Fu , Chao Dong

Coarse-graining (CG) of molecular simulations simplifies the particle representation by grouping selected atoms into pseudo-beads and drastically accelerates simulation. However, such CG procedure induces information losses, which makes…

Machine Learning · Computer Science 2022-06-20 Wujie Wang , Minkai Xu , Chen Cai , Benjamin Kurt Miller , Tess Smidt , Yusu Wang , Jian Tang , Rafael Gómez-Bombarelli

Genome sequence analysis has enabled significant advancements in medical and scientific areas such as personalized medicine, outbreak tracing, and the understanding of evolution. Unfortunately, it is currently bottlenecked by the…

Multi-step retrieval-augmented generation (RAG) has become a widely adopted strategy for enhancing large language models (LLMs) on tasks that demand global comprehension and intensive reasoning. Although many RAG systems incorporate a…

Computation and Language · Computer Science 2026-05-28 Chulun Zhou , Chunkang Zhang , Guoxin Yu , Fandong Meng , Jie Zhou , Wai Lam , Mo Yu

Estimating causal quantities traditionally relies on bespoke estimators tailored to specific assumptions. Recently proposed Causal Foundation Models (CFMs) promise a more unified approach by amortising causal discovery and inference in a…

Genomics is the critical key to enabling precision medicine, ensuring global food security and enforcing wildlife conservation. The massive genomic data produced by various genome sequencing technologies presents a significant challenge for…

Genomics · Quantitative Biology 2019-10-03 Farzaneh Zokaee , Mingzhe Zhang , Lei Jiang

Brain foundation models (BFMs) have emerged as a transformative paradigm in computational neuroscience, offering a revolutionary framework for processing diverse neural signals across different brain-related tasks. These models leverage…

Machine Learning · Computer Science 2025-07-22 Xinliang Zhou , Chenyu Liu , Zhisheng Chen , Kun Wang , Yi Ding , Ziyu Jia , Qingsong Wen

Molecular generation plays an important role in drug discovery and materials science, especially in data-scarce scenarios where traditional generative models often struggle to achieve satisfactory conditional generalization. To address this…

Machine Learning · Computer Science 2025-05-13 Zimo Yan , Jie Zhang , Zheng Xie , Chang Liu , Yizhen Liu , Yiping Song

Graph-structured data pervades domains such as social networks, biological systems, knowledge graphs, and recommender systems. While foundation models have transformed natural language processing, vision, and multimodal learning through…

Although understanding and characterizing causal effects have become essential in observational studies, it is challenging when the confounders are high-dimensional. In this article, we develop a general framework $\textit{CausalEGM}$ for…

Machine Learning · Statistics 2023-03-20 Qiao Liu , Zhongren Chen , Wing Hung Wong

Causal generative modeling is essential for developing reliable and transparent AI systems capable of counterfactual reasoning. While existing approaches focus on integrating causal constraints during the training of generative models, they…

Machine Learning · Computer Science 2026-05-25 Aneesh Komanduri , Xintao Wu

Recent advances in molecular generative models have demonstrated great promise for accelerating scientific discovery, particularly in drug design. However, these models often struggle to generate high-quality molecules, especially in…

Machine Learning · Computer Science 2025-07-29 Zian Li , Cai Zhou , Xiyuan Wang , Xingang Peng , Muhan Zhang

Despite substantial research into the biological basis of memory, the precise mechanisms by which experiences are encoded, stored, and retrieved in the brain remain incompletely understood. A growing body of evidence supports the engram…

Neural and Evolutionary Computing · Computer Science 2025-10-28 Daniel Szelogowski

How should future neural reasoning systems implement extended computation? Recursive Reasoning Models (RRMs) offer a promising alternative to autoregressive sequence extension by performing iterative latent-state refinement with shared…

Artificial Intelligence · Computer Science 2026-05-21 Junyeob Baek , Mingyu Jo , Minsu Kim , Mengye Ren , Yoshua Bengio , Sungjin Ahn

Unlocking deep and interpretable biological reasoning from complex genomic data remains a major AI challenge limiting scientific progress. While current DNA foundation models excel at representing sequences, they struggle with multi-step…

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…

Machine Learning · Computer Science 2025-07-24 Seul Lee , Karsten Kreis , Srimukh Prasad Veccham , Meng Liu , Danny Reidenbach , Yuxing Peng , Saee Paliwal , Weili Nie , Arash Vahdat

Genome-Scale Metabolic Models (GEMs) describe the interactions between genes, proteins, and the biochemical reactions that underpin an organism's metabolism aiming to computationally simulate functions at the cellular level. While many…

Recent data-efficient molecular generation approaches exploit graph grammars to introduce interpretability into the generative models. However, grammar learning therein relies on expert annotation or unreliable heuristics for algorithmic…

Artificial Intelligence · Computer Science 2025-05-30 Michael Sun , Weize Yuan , Gang Liu , Wojciech Matusik , Jie Chen

Recent advances in large-scale pre-trained Electroencephalogram (EEG) models have shown great promise, driving progress in Brain-Computer Interfaces (BCIs) and healthcare applications. However, despite their success, many existing…

Machine Learning · Computer Science 2025-10-07 Konstantinos Barmpas , Na Lee , Yannis Panagakis , Dimitrios A. Adamos , Nikolaos Laskaris , Stefanos Zafeiriou

As large language models (LLMs) continue to revolutionize AI research, there is a growing interest in building large-scale brain foundation models to advance neuroscience. While most existing brain foundation models are pre-trained on…

Neurons and Cognition · Quantitative Biology 2026-02-11 Xinxu Wei , Kanhao Zhao , Yong Jiao , Lifang He , Yu Zhang