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Predicting the structure of multi-protein complexes is a grand challenge in biochemistry, with major implications for basic science and drug discovery. Computational structure prediction methods generally leverage pre-defined structural…

Biomolecules · Quantitative Biology 2021-01-26 Stephan Eismann , Raphael J. L. Townshend , Nathaniel Thomas , Milind Jagota , Bowen Jing , Ron O. Dror

Robustness and counterfactual bias are usually evaluated on a test dataset. However, are these evaluations robust? If the test dataset is perturbed slightly, will the evaluation results keep the same? In this paper, we propose a "double…

Computation and Language · Computer Science 2021-04-13 Chong Zhang , Jieyu Zhao , Huan Zhang , Kai-Wei Chang , Cho-Jui Hsieh

When neural networks (NeuralNets) are implemented in hardware, their weights need to be stored in memory devices. As noise accumulates in the stored weights, the NeuralNet's performance will degrade. This paper studies how to use error…

Information Theory · Computer Science 2020-01-14 Kunping Huang , Paul Siegel , Anxiao , Jiang

Modern machine learning optimizes for accuracy without explicit treatment of internal computational cost, even though physical and biological systems operate under intrinsic energy constraints. We evaluate energy-aware learning across 2,203…

Machine Learning · Computer Science 2026-05-01 Martin G. Frasch

In this work, we propose a notion of practical learnability grounded in finite sample settings, and develop a conjugate learning theoretical framework based on convex conjugate duality to characterize this learnability property. Building on…

Machine Learning · Statistics 2026-02-20 Binchuan Qi

In recent years, deep neural networks have found success in replicating human-level cognitive skills, yet they suffer from several major obstacles. One significant limitation is the inability to learn new tasks without forgetting previously…

Machine Learning · Computer Science 2019-08-20 Gabrielle K. Liu

We introduce an algorithm to do backpropagation on a spiking network. Our network is "spiking" in the sense that our neurons accumulate their activation into a potential over time, and only send out a signal (a "spike") when this potential…

Neural and Evolutionary Computing · Computer Science 2016-11-08 Peter O'Connor , Max Welling

Data-driven algorithms, in particular neural networks, can emulate the effect of sub-grid scale processes in coarse-resolution climate models if trained on high-resolution climate simulations. However, they may violate key physical…

Atmospheric and Oceanic Physics · Physics 2020-04-21 Tom Beucler , Michael Pritchard , Pierre Gentine , Stephan Rasp

We introduce Leap+Verify, a framework that applies speculative execution -- predicting future model weights and validating predictions before acceptance -- to accelerate neural network training. Inspired by speculative decoding in language…

Machine Learning · Computer Science 2026-02-24 Jeremy McEntire

Disordered complex networks are of fundamental interest as stochastic models for information transmission over wireless networks. Well-known networks based on the Poisson point process model have limitations vis-a-vis network efficiency,…

Signal Processing · Electrical Eng. & Systems 2022-03-14 Subhro Ghosh , Naoto Miyoshi , Tomoyuki Shirai

Personalizing diffusion models using limited data presents significant challenges, including overfitting, loss of prior knowledge, and degradation of text alignment. Overfitting leads to shifts in the noise prediction distribution,…

Computer Vision and Pattern Recognition · Computer Science 2025-07-04 JungWoo Chae , Jiyoon Kim , JaeWoong Choi , Kyungyul Kim , Sangheum Hwang

Current neural network (NN) models can learn patterns from data points with historical dependence. Specifically, in natural language processing (NLP), sequential learning has transitioned from recurrence-based architectures to…

Machine Learning · Computer Science 2025-04-08 Muhammed Adil Yatkin , Mihkel Korgesaar , Jani Romanoff , Umit Islak , Hasan Kurban

We explicitly construct the quantum field theory corresponding to a general class of deep neural networks encompassing both recurrent and feedforward architectures. We first consider the mean-field theory (MFT) obtained as the leading…

High Energy Physics - Theory · Physics 2022-01-27 Kevin T. Grosvenor , Ro Jefferson

Recent theoretical works based on the neural tangent kernel (NTK) have shed light on the optimization and generalization of over-parameterized networks, and partially bridge the gap between their practical success and classical learning…

Machine Learning · Computer Science 2020-08-10 Kyung-Su Kim , Aurélie C. Lozano , Eunho Yang

Understanding how deep neural networks learn remains a fundamental challenge in modern machine learning. A growing body of evidence suggests that training dynamics undergo a distinct phase transition, yet our understanding of this…

Machine Learning · Computer Science 2025-05-21 Zhanpeng Zhou , Yongyi Yang , Mahito Sugiyama , Junchi Yan

Even though neural networks enjoy widespread use, they still struggle to learn the basic laws of physics. How might we endow them with better inductive biases? In this paper, we draw inspiration from Hamiltonian mechanics to train models…

Neural and Evolutionary Computing · Computer Science 2019-09-06 Sam Greydanus , Misko Dzamba , Jason Yosinski

The challenge of image generation has been effectively modeled as a problem of structure priors or transformation. However, existing models have unsatisfactory performance in understanding the global input image structures because of…

Computer Vision and Pattern Recognition · Computer Science 2023-10-26 Pourya Shamsolmoali , Masoumeh Zareapoor , Huiyu Zhou , Xuelong Li , Yue Lu

Numerical Question Answering is the task of answering questions that require numerical capabilities. Previous works introduce general adversarial attacks to Numerical Question Answering, while not systematically exploring numerical…

Computation and Language · Computer Science 2022-11-15 Jialiang Xu , Mengyu Zhou , Xinyi He , Shi Han , Dongmei Zhang

Handling regime shifts and non-stationary time series in deep learning systems presents a significant challenge. In the case of online learning, when new information is introduced, it can disrupt previously stored data and alter the model's…

Machine Learning · Computer Science 2025-06-17 Matteo Benati , Alessandro Londei , Denise Lanzieri , Vittorio Loreto

Deep Neural Networks (DNNs) rely on inherent fluctuations in their internal parameters (weights and biases) to effectively navigate the complex optimization landscape and achieve robust performance. While these fluctuations are recognized…

Machine Learning · Computer Science 2025-11-14 Darsh Pareek , Umesh Kumar , Ruthu Rao , Ravi Janjam
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