Goto

Collaborating Authors

 uni




Transfer learning discovery of molecular modulators for perovskite solar cells

Yan, Haoming, Chen, Xinyu, Wang, Yanran, Luo, Zhengchao, Huang, Weizheng, Wang, Hongshuai, Chen, Peng, Zhang, Yuzhi, Sun, Weijie, Wang, Jinzhuo, Gong, Qihuang, Zhu, Rui, Zhao, Lichen

arXiv.org Artificial Intelligence

The discovery of effective molecular modulators is essential for advancing perovskite solar cells (PSCs), but the research process is hindered by the vastness of chemical space and the time-consuming and expensive trial-and-error experimental screening. Concurrently, machine learning (ML) offers significant potential for accelerating materials discovery. However, applying ML to PSCs remains a major challenge due to data scarcity and limitations of traditional quantitative structure-property relationship (QSPR) models. Here, we apply a chemical informed transfer learning framework based on pre-trained deep neural networks, which achieves high accuracy in predicting the molecular modulator's effect on the power conversion efficiency (PCE) of PSCs. This framework is established through systematical benchmarking of diverse molecular representations, enabling lowcost and high-throughput virtual screening over 79,043 commercially available molecules. Furthermore, we leverage interpretability techniques to visualize the learned chemical representation and experimentally characterize the resulting modulator-perovskite interactions. The top molecular modulators identified by the framework are subsequently validated experimentally, delivering a remarkably improved champion PCE of 26.91% in PSCs.


RL-AVIST: Reinforcement Learning for Autonomous Visual Inspection of Space Targets

El-Hariry, Matteo, Orsula, Andrej, Geist, Matthieu, Olivares-Mendez, Miguel

arXiv.org Artificial Intelligence

The growing need for autonomous on-orbit services such as inspection, maintenance, and situational awareness calls for intelligent spacecraft capable of complex maneuvers around large orbital targets. Traditional control systems often fall short in adaptability, especially under model uncertainties, multi-spacecraft configurations, or dynamically evolving mission contexts. This paper introduces RL-AVIST, a Reinforcement Learning framework for Autonomous Visual Inspection of Space Targets. Leveraging the Space Robotics Bench (SRB), we simulate high-fidelity 6-DOF spacecraft dynamics and train agents using DreamerV3, a state-of-the-art model-based RL algorithm, with PPO and TD3 as model-free baselines. Our investigation focuses on 3D proximity maneuvering tasks around targets such as the Lunar Gateway and other space assets. We evaluate task performance under two complementary regimes: generalized agents trained on randomized velocity vectors, and specialized agents trained to follow fixed trajectories emulating known inspection orbits. Furthermore, we assess the robustness and generalization of policies across multiple spacecraft morphologies and mission domains. Results demonstrate that model-based RL offers promising capabilities in trajectory fidelity, and sample efficiency, paving the way for scalable, retrainable control solutions for future space operations



UniLat3D: Geometry-Appearance Unified Latents for Single-Stage 3D Generation

Wu, Guanjun, Fang, Jiemin, Yang, Chen, Li, Sikuang, Yi, Taoran, Lu, Jia, Zhou, Zanwei, Cen, Jiazhong, Xie, Lingxi, Zhang, Xiaopeng, Wei, Wei, Liu, Wenyu, Wang, Xinggang, Tian, Qi

arXiv.org Artificial Intelligence

High-fidelity 3D asset generation is crucial for various industries. While recent 3D pretrained models show strong capability in producing realistic content, most are built upon diffusion models and follow a two-stage pipeline that first generates geometry and then synthesizes appearance. Such a decoupled design tends to produce geometry-texture misalignment and non-negligible cost. In this paper, we propose UniLat3D, a unified framework that encodes geometry and appearance in a single latent space, enabling direct single-stage generation. Our key contribution is a geometry-appearance Unified VAE, which compresses high-resolution sparse features into a compact latent representation -- UniLat. UniLat integrates structural and visual information into a dense low-resolution latent, which can be efficiently decoded into diverse 3D formats, e.g., 3D Gaussians and meshes. Based on this unified representation, we train a single flow-matching model to map Gaussian noise directly into UniLat, eliminating redundant stages. Trained solely on public datasets, UniLat3D produces high-quality 3D assets in seconds from a single image, achieving superior appearance fidelity and geometric quality. More demos \& code are available at https://unilat3d.github.io/


Any-Step Density Ratio Estimation via Interval-Annealed Secant Alignment

Chen, Wei, Li, Shigui, Li, Jiacheng, Xu, Jian, Lin, Zhiqi, Yang, Junmei, Zeng, Delu, Paisley, John, Zhao, Qibin

arXiv.org Machine Learning

Estimating density ratios is a fundamental problem in machine learning, but existing methods often trade off accuracy for efficiency. We propose \textit{Interval-annealed Secant Alignment Density Ratio Estimation (ISA-DRE)}, a framework that enables accurate, any-step estimation without numerical integration. Instead of modeling infinitesimal tangents as in prior methods, ISA-DRE learns a global secant function, defined as the expectation of all tangents over an interval, with provably lower variance, making it more suitable for neural approximation. This is made possible by the \emph{Secant Alignment Identity}, a self-consistency condition that formally connects the secant with its underlying tangent representations. To mitigate instability during early training, we introduce \emph{Contraction Interval Annealing}, a curriculum strategy that gradually expands the alignment interval during training. This process induces a contraction mapping, which improves convergence and training stability. Empirically, ISA-DRE achieves competitive accuracy with significantly fewer function evaluations compared to prior methods, resulting in much faster inference and making it well suited for real-time and interactive applications.


Human2LocoMan: Learning Versatile Quadrupedal Manipulation with Human Pretraining

Niu, Yaru, Zhang, Yunzhe, Yu, Mingyang, Lin, Changyi, Li, Chenhao, Wang, Yikai, Yang, Yuxiang, Yu, Wenhao, Zhang, Tingnan, Li, Zhenzhen, Francis, Jonathan, Chen, Bingqing, Tan, Jie, Zhao, Ding

arXiv.org Artificial Intelligence

Quadrupedal robots have demonstrated impressive locomotion capabilities in complex environments, but equipping them with autonomous versatile manipulation skills in a scalable way remains a significant challenge. In this work, we introduce a cross-embodiment imitation learning system for quadrupedal manipulation, leveraging data collected from both humans and LocoMan, a quadruped equipped with multiple manipulation modes. Specifically, we develop a teleoperation and data collection pipeline, which unifies and modularizes the observation and action spaces of the human and the robot. To effectively leverage the collected data, we propose an efficient modularized architecture that supports co-training and pretraining on structured modality-aligned data across different embodiments. Additionally, we construct the first manipulation dataset for the LocoMan robot, covering various household tasks in both unimanual and bimanual modes, supplemented by a corresponding human dataset. We validate our system on six real-world manipulation tasks, where it achieves an average success rate improvement of 41.9% overall and 79.7% under out-of-distribution (OOD) settings compared to the baseline. Pretraining with human data contributes a 38.6% success rate improvement overall and 82.7% under OOD settings, enabling consistently better performance with only half the amount of robot data. Our code, hardware, and data are open-sourced at: https://human2bots.github.io.


'I applied for 646 jobs after uni until I got one'

BBC News

Caitlin thinks the use of artificial intelligence (AI) by companies as part of their filtering process could be a reason why she did not get very far in some applications. She said initially her CV was not written in a way that could be read by a resume screening programme called ATS (applicant tracking system), where AI reads CVs. "I was just getting straight rejections whereas after adjusting it, sometimes you'd be invited to an assessment after you've applied," said Caitlin. "Had I have known that from the get go, that would've helped me with my other applications." She reached the assessment stages for 221 of the roles she applied for and had five final interviews before getting a job.


A Foundation Model for Spatial Proteomics

Shaban, Muhammad, Chang, Yuzhou, Qiu, Huaying, Yeo, Yao Yu, Song, Andrew H., Jaume, Guillaume, Wang, Yuchen, Weishaupt, Luca L., Ding, Tong, Vaidya, Anurag, Lamane, Abdallah, Shao, Daniel, Zidane, Mohammed, Bai, Yunhao, McCallum, Paige, Luo, Shuli, Wu, Wenrui, Wang, Yang, Cramer, Precious, Chan, Chi Ngai, Stephan, Pierre, Schaffenrath, Johanna, Lee, Jia Le, Michel, Hendrik A., Tian, Caiwei, Almagro-Perez, Cristina, Wagner, Sophia J., Sahai, Sharifa, Lu, Ming Y., Chen, Richard J., Zhang, Andrew, Gonzales, Mark Edward M., Makky, Ahmad, Lee, Jia-Ying Joey, Cheng, Hao, Ahmar, Nourhan El, Matar, Sayed, Haist, Maximilian, Phillips, Darci, Tan, Yuqi, Nolan, Garry P., Burack, W. Richard, Estes, Jacob D., Liu, Jonathan T. C., Choueiri, Toni K, Agarwal, Neeraj, Barry, Marc, Rodig, Scott J., Le, Long Phi, Gerber, Georg, Schürch, Christian M., Theis, Fabian J., Kim, Youn H, Yeong, Joe, Signoretti, Sabina, Howitt, Brooke E., Loo, Lit-Hsin, Ma, Qin, Jiang, Sizun, Mahmood, Faisal

arXiv.org Artificial Intelligence

Foundation models have begun to transform image analysis by acting as pretrained generalist backbones that can be adapted to many tasks even when post-training data are limited, yet their impact on spatial proteomics, imaging that maps proteins at single-cell resolution, remains limited. Here, we introduce KRONOS, a foundation model built for spatial proteomics. KRONOS was trained in a self-supervised manner on over 47 million image patches covering 175 protein markers, 16 tissue types, and 8 fluorescence-based imaging platforms. We introduce key architectural adaptations to address the high-dimensional, multi-channel, and heterogeneous nature of multiplex imaging. We demonstrate that KRONOS learns biologically meaningful representations across multiple scales, ranging from cellular and microenvironment to tissue levels, enabling it to address diverse downstream tasks, including cell phenotyping, region classification, and patient stratification. Evaluated across 11 independent cohorts, KRONOS achieves state-of-the-art performance across cell phenotyping, treatment response prediction, and retrieval tasks, and is highly data-efficient. KRONOS also introduces the paradigm of segmentation-free patch-level processing for efficient and scalable spatial proteomics analysis, allowing cross-institutional comparisons, and as an image reverse search engine for spatial patterns.