DynamicDTA: Drug-Target Binding Affinity Prediction Using Dynamic Descriptors and Graph Representation

Kavli Affiliate: Dan Luo | First 5 Authors: Dan Luo, Jinyu Zhou, Le Xu, Sisi Yuan, Xuan Lin | Summary: Predicting drug-target binding affinity (DTA) is essential for identifying potential therapeutic candidates in drug discovery. However, most existing models rely heavily on static protein structures, often overlooking the dynamic nature of proteins, which is crucial […]


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PtyRAD: A High-performance and Flexible Ptychographic Reconstruction Framework with Automatic Differentiation

Kavli Affiliate: David A. Muller | First 5 Authors: Chia-Hao Lee, Steven E. Zeltmann, Dasol Yoon, Desheng Ma, David A. Muller | Summary: Electron ptychography has recently achieved unprecedented resolution, offering valuable insights across diverse material systems, including in three dimensions. However, high-quality ptychographic reconstruction is computationally expensive and time consuming, requiring a significant amount […]


Continue.. PtyRAD: A High-performance and Flexible Ptychographic Reconstruction Framework with Automatic Differentiation

PtyRAD: A High-performance and Flexible Ptychographic Reconstruction Framework with Automatic Differentiation

Kavli Affiliate: David A. Muller | First 5 Authors: Chia-Hao Lee, Chia-Hao Lee, , , | Summary: Electron ptychography has recently achieved unprecedented resolution, offering valuable insights across diverse material systems, including in three dimensions. However, high-quality ptychographic reconstruction is computationally expensive and time consuming, requiring a significant amount of manually tuning even for experts. […]


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Weak transcription factor clustering at binding sites can facilitate information transfer from molecular signals

Kavli Affiliate: Jos W. Zwanikken | First 5 Authors: Tamara Mijatović, Aimée R. Kok, Jos W. Zwanikken, Marianne Bauer, | Summary: Transcription factor concentrations provide signals to cells that allow them to regulate gene expression to make correct cell fate decisions. Calculations for noise bounds in gene regulation suggest that clustering or cooperative binding of […]


Continue.. Weak transcription factor clustering at binding sites can facilitate information transfer from molecular signals

Resonant Self-Diffraction of Femtosecond Extreme Ultraviolet Pulses in Cobalt

Kavli Affiliate: Scott K. Cushing | First 5 Authors: Alexei A. Maznev, Wonseok Lee, Scott K. Cushing, Dario De Angelis, Danny Fainozzi | Summary: Self-diffraction is a non-collinear four-wave mixing technique well-known in optics. We explore self-diffraction in the extreme ultraviolet (EUV) range, taking advantage of intense femtosecond EUV pulses produced by a free electron […]


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Differentiable NMS via Sinkhorn Matching for End-to-End Fabric Defect Detection

Kavli Affiliate: Feng Wang | First 5 Authors: Zhengyang Lu, Bingjie Lu, Weifan Wang, Feng Wang, | Summary: Fabric defect detection confronts two fundamental challenges. First, conventional non-maximum suppression disrupts gradient flow, which hinders genuine end-to-end learning. Second, acquiring pixel-level annotations at industrial scale is prohibitively costly. Addressing these limitations, we propose a differentiable NMS […]


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Compilation strategies for quantum network programs using Qoala

Kavli Affiliate: Stephanie Wehner | First 5 Authors: Samuel Oslovich, Bart van der Vecht, Stephanie Wehner, , | Summary: Execution of quantum network applications requires a software stack for nodes. Recently, the first designs and demonstrations have been proposed for such software stacks, including QNodeOS and its extension, Qoala. The latter enables compilation strategies previously […]


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Inferring charge noise source locations from correlations in spin qubits

Kavli Affiliate: Giordano Scappucci | First 5 Authors: Juan S. Rojas-Arias, Akito Noiri, Jun Yoneda, Peter Stano, Takashi Nakajima | Summary: We investigate low-frequency noise in a spin-qubit device made in isotopically purified Si/Si-Ge. Observing sizable cross-correlations among energy fluctuations of different qubits, we conclude that these fluctuations are dominated by charge noise. At low […]


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SmartTrap: Automated Precision Experiments with Optical Tweezers

Kavli Affiliate: Carlos Bustamante | First 5 Authors: Martin Selin, Antonio Ciarlo, Giuseppe Pesce, Lars Bengtsson, Joan Camunas-Soler | Summary: There is a trend in research towards more automation using smart systems powered by artificial intelligence. While experiments are often challenging to automate, they can greatly benefit from automation by reducing labor and increasing reproducibility. […]


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Lay-Your-Scene: Natural Scene Layout Generation with Diffusion Transformers

Kavli Affiliate: Xiang Zhang | First 5 Authors: Divyansh Srivastava, Xiang Zhang, He Wen, Chenru Wen, Zhuowen Tu | Summary: We present Lay-Your-Scene (shorthand LayouSyn), a novel text-to-layout generation pipeline for natural scenes. Prior scene layout generation methods are either closed-vocabulary or use proprietary large language models for open-vocabulary generation, limiting their modeling capabilities and […]


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