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Inferring properties of graph-structured data, e.g., the solubility of molecules, essentially involves learning the implicit mapping from graphs to their properties. This learning process is often costly for graph property learners like…

机器学习 · 计算机科学 2025-05-22 Chen Zhang , Weixin Bu , Zeyi Ren , Zhengwu Liu , Yik-Chung Wu , Ngai Wong

Neural networks are trained primarily based on their inputs and outputs, without regard for their internal mechanisms. These neglected mechanisms determine properties that are critical for safety, like (i) transparency; (ii) the absence of…

机器学习 · 计算机科学 2024-12-02 Alex Cloud , Jacob Goldman-Wetzler , Evžen Wybitul , Joseph Miller , Alexander Matt Turner

Generative pre-training via discrete diffusion provides dense reconstruction supervision across all feature fields simultaneously, mitigating representation collapse from data sparsity in CTR prediction. However, all existing generative CTR…

信息检索 · 计算机科学 2026-05-26 Moyu Zhang , Yun Chen , Yujun Jin , Jinxin Hu , Yu Zhang , Xiaoyi Zeng

In a variety of problems originating in supervised, unsupervised, and reinforcement learning, the loss function is defined by an expectation over a collection of random variables, which might be part of a probabilistic model or the external…

机器学习 · 计算机科学 2016-01-06 John Schulman , Nicolas Heess , Theophane Weber , Pieter Abbeel

We consider the training of the first layer of vision models and notice the clear relationship between pixel values and gradient update magnitudes: the gradients arriving at the weights of a first layer are by definition directly…

机器学习 · 计算机科学 2024-11-01 Felix Petersen , Christian Borgelt , Stefano Ermon

Adversarially robust models are locally smooth around each data sample so that small perturbations cannot drastically change model outputs. In modern systems, such smoothness is usually obtained via Adversarial Training, which explicitly…

机器学习 · 计算机科学 2024-10-01 Adrián Rodríguez-Muñoz , Tongzhou Wang , Antonio Torralba

Decision Trees (DTs) are commonly used for many machine learning tasks due to their high degree of interpretability. However, learning a DT from data is a difficult optimization problem, as it is non-convex and non-differentiable.…

机器学习 · 计算机科学 2024-08-20 Sascha Marton , Stefan Lüdtke , Christian Bartelt , Heiner Stuckenschmidt

As online auto-grading systems appear, information obtained from those systems can potentially enable researchers to create predictive models to predict student behaviour and performances. In the University of Waterloo, the ECE 150…

机器学习 · 计算机科学 2021-02-03 Huanyi Chen , Paul A. S. Ward

Recent works have shown that gradient-update alignment is a powerful signal for modulating optimizer updates, often leading to faster training. We promote this update-wise heuristic as a mathematically grounded principle for selecting and…

机器学习 · 计算机科学 2026-05-08 Jaerin Lee , Kyoung Mu Lee

Gradient-boosted trees achieve strong performance on tabular data, yet often leave a long tail of poorly predicted instances. We introduce a Trajectory-based Difficulty Score (TDS), an instance-level difficulty estimator for boosted…

机器学习 · 计算机科学 2026-05-26 Tomer Lavi , Bracha Shapira , Nadav Rappoport

Deep learning is typically performed by learning a neural network solely from data in the form of input-output pairs ignoring available domain knowledge. In this work, the Constraint Guided Gradient Descent (CGGD) framework is proposed that…

人工智能 · 计算机科学 2022-06-15 Quinten Van Baelen , Peter Karsmakers

Optimization techniques are of great importance to effectively and efficiently train a deep neural network (DNN). It has been shown that using the first and second order statistics (e.g., mean and variance) to perform Z-score…

计算机视觉与模式识别 · 计算机科学 2020-04-09 Hongwei Yong , Jianqiang Huang , Xiansheng Hua , Lei Zhang

Classical optimization theory deals with fixed, time-invariant objective functions. However, time-varying optimization has emerged as an important subject for decision-making in dynamic environments. In this work, we study the problem of…

机器学习 · 计算机科学 2025-10-16 Muhammad Faraz Ul Abrar , Nicolò Michelusi , Erik G. Larsson

Gradient regularization (GR) is a method that penalizes the gradient norm of the training loss during training. While some studies have reported that GR can improve generalization performance, little attention has been paid to it from the…

机器学习 · 计算机科学 2023-02-06 Ryo Karakida , Tomoumi Takase , Tomohiro Hayase , Kazuki Osawa

Learning rules -- prescriptions for updating model parameters to improve performance -- are typically assumed rather than derived. Why do some learning rules work better than others, and under what assumptions can a given rule be considered…

机器学习 · 计算机科学 2025-11-03 John J. Vastola , Samuel J. Gershman , Kanaka Rajan

Causal discovery is a crucial initial step in establishing causality from empirical data and background knowledge. Numerous algorithms have been developed for this purpose. Among them, the score-matching method has demonstrated superior…

机器学习 · 统计学 2026-04-14 Hao Chen , Kai Yi

Data plays a pivotal role in the groundbreaking advancements in artificial intelligence. The quantitative analysis of data significantly contributes to model training, enhancing both the efficiency and quality of data utilization. However,…

机器学习 · 计算机科学 2025-08-21 Haoru Tan , Sitong Wu , Xiuzhe Wu , Wang Wang , Bo Zhao , Zeke Xie , Gui-Song Xia , Xiaojuan Qi

Human movements are characterized by highly non-linear and multi-dimensional interactions within the motor system. Recently, an increasing emphasis on machine-learning applications has led to a significant contribution to the field of gait…

Neural ranking models are traditionally trained on a series of random batches, sampled uniformly from the entire training set. Curriculum learning has recently been shown to improve neural models' effectiveness by sampling batches…

信息检索 · 计算机科学 2019-12-19 Gustavo Penha , Claudia Hauff

Adversarial training, especially projected gradient descent (PGD), has proven to be a successful approach for improving robustness against adversarial attacks. After adversarial training, gradients of models with respect to their inputs…

机器学习 · 统计学 2023-04-21 Ricardo Bigolin Lanfredi , Joyce D. Schroeder , Tolga Tasdizen
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