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AI-based molecule generation provides a promising approach to a large area of biomedical sciences and engineering, such as antibody design, hydrolase engineering, or vaccine development. Because the molecules are governed by physical laws,…

机器学习 · 计算机科学 2022-09-05 Lemeng Wu , Chengyue Gong , Xingchao Liu , Mao Ye , Qiang Liu

Compact neural networks are essential for affordable and power efficient deep learning solutions. Binary Neural Networks (BNNs) take compactification to the extreme by constraining both weights and activations to two levels, $\{+1, -1\}$.…

机器学习 · 计算机科学 2020-06-16 Vishnu Raj , Nancy Nayak , Sheetal Kalyani

Lossy compression and clustering fundamentally involve a decision about what features are relevant and which are not. The information bottleneck method (IB) by Tishby, Pereira, and Bialek formalized this notion as an information-theoretic…

神经元与认知 · 定量生物学 2017-02-23 DJ Strouse , David J Schwab

Vision-language pretrained models have seen remarkable success, but their application to safety-critical settings is limited by their lack of interpretability. To improve the interpretability of vision-language models such as CLIP, we…

计算机视觉与模式识别 · 计算机科学 2024-06-25 Ying Wang , Tim G. J. Rudner , Andrew Gordon Wilson

Diffusion generative models have emerged as a powerful framework for addressing problems in structural biology and structure-based drug design. These models operate directly on 3D molecular structures. Due to the unfavorable scaling of…

生物大分子 · 定量生物学 2024-05-10 Ian Dunn , David Ryan Koes

In supervised learning, understanding an input's proximity to the training data can help a model decide whether it has sufficient evidence for reaching a reliable prediction. While powerful probabilistic models such as Gaussian Processes…

机器学习 · 计算机科学 2024-06-19 Ifigeneia Apostolopoulou , Benjamin Eysenbach , Frank Nielsen , Artur Dubrawski

In this work, we generalize the information bottleneck (IB) approach to the multi-view learning context. The exponentially growing complexity of the optimal representation motivates the development of two novel formulations with more…

信息论 · 计算机科学 2022-09-20 Teng-Hui Huang , Aly El Gamal , Hesham El Gamal

Large Language Models (LLMs) are prone to critical failure modes, including \textit{intrinsic faithfulness hallucinations} (also known as confabulations), where a response deviates semantically from the provided context. Frameworks designed…

计算与语言 · 计算机科学 2025-09-05 Igor Halperin

Cloth manipulation is challenging due to its highly complex dynamics, near-infinite degrees of freedom, and frequent self-occlusions, which complicate both state estimation and dynamics modeling. Inspired by recent advances in generative…

机器人学 · 计算机科学 2025-09-03 Tongxuan Tian , Haoyang Li , Bo Ai , Xiaodi Yuan , Zhiao Huang , Hao Su

Generative diffusion models have achieved remarkable success in producing high-quality images. However, these models typically operate in continuous intensity spaces, diffusing independently across pixels and color channels. As a result,…

图形学 · 计算机科学 2025-05-20 Javier E. Santos , Agnese Marcato , Roman Colman , Nicholas Lubbers , Yen Ting Lin

Generating molecules that bind to specific proteins is an important but challenging task in drug discovery. Previous works usually generate atoms in an auto-regressive way, where element types and 3D coordinates of atoms are generated one…

生物大分子 · 定量生物学 2024-07-16 Haitao Lin , Yufei Huang , Odin Zhang , Siqi Ma , Meng Liu , Xuanjing Li , Lirong Wu , Jishui Wang , Tingjun Hou , Stan Z. Li

The Information Bottleneck (IB) method is an information theoretical framework to design a parsimonious and tunable feature-extraction mechanism, such that the extracted features are maximally relevant to a specific learning or inference…

信号处理 · 电气工程与系统科学 2024-04-17 Francesco Binucci , Paolo Banelli , Paolo Di Lorenzo , Sergio Barbarossa

It has been argued that semantic systems reflect pressure for efficiency, and a current debate concerns the cultural evolutionary process that produces this pattern. We consider efficiency as instantiated in the Information Bottleneck (IB)…

计算与语言 · 计算机科学 2024-12-16 Emil Carlsson , Devdatt Dubhashi , Terry Regier

Advances in self-distillation have shown that when knowledge is distilled from a teacher to a student using the same deep learning (DL) architecture, the student performance can surpass the teacher particularly when the network is…

机器学习 · 计算机科学 2025-06-25 Muhammad Haseeb Aslam , Clara Martinez , Marco Pedersoli , Alessandro Koerich , Ali Etemad , Eric Granger

Scenario-based probabilistic forecasts have become vital for decision-makers in handling intermittent renewable energies. This paper presents a recent promising deep learning generative approach called denoising diffusion probabilistic…

机器学习 · 计算机科学 2023-08-22 Esteban Hernandez Capel , Jonathan Dumas

Diffusion models have become the foundation of modern generative systems, with most research focusing primarily on improving generation efficiency and output quality. The timestep embedding component is a crucial part of the diffusion…

机器学习 · 计算机科学 2026-05-05 An Huang , Junggab Son , Zuobin Xiong

The quest for simplification in physics drives the exploration of concise mathematical representations for complex systems. This Dissertation focuses on the concept of dimensionality reduction as a means to obtain low-dimensional…

机器学习 · 计算机科学 2024-10-31 Eslam Abdelaleem

Seismic wave generation creates labeled waveform datasets for source parameter inversion, subsurface analysis, and, notably, training artificial intelligence seismology models. Traditionally, seismic wave generation has been time-consuming,…

地球物理 · 物理学 2025-09-23 Longfei Duan , Zicheng Zhang , Lianqing Zhou , Congying Han , Lei Bai , Tiande Guo , Cuiping Zhao

We present a deep generative scene modeling technique for indoor environments. Our goal is to train a generative model using a feed-forward neural network that maps a prior distribution (e.g., a normal distribution) to the distribution of…

计算机视觉与模式识别 · 计算机科学 2018-08-08 Zaiwei Zhang , Zhenpei Yang , Chongyang Ma , Linjie Luo , Alexander Huth , Etienne Vouga , Qixing Huang

Generative models such as Generative Adversarial Networks (GANs) and Variational Auto-Encoders (VAEs) are widely utilized to model the generative process of user interactions. However, these generative models suffer from intrinsic…

信息检索 · 计算机科学 2025-06-26 Wenjie Wang , Yiyan Xu , Fuli Feng , Xinyu Lin , Xiangnan He , Tat-Seng Chua