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We introduce a theory-driven mechanism for learning a neural network model that performs generative topology design in one shot given a problem setting, circumventing the conventional iterative process that computational design tasks…

Machine Learning · Computer Science 2018-12-31 Ruijin Cang , Hope Yao , Yi Ren

Progressive Neural Network Learning is a class of algorithms that incrementally construct the network's topology and optimize its parameters based on the training data. While this approach exempts the users from the manual task of designing…

Machine Learning · Computer Science 2020-05-26 Dat Thanh Tran , Moncef Gabbouj , Alexandros Iosifidis

In GFlowNets and variational inference, it has been shown that the mean square error between target and model log probabilities is an effective, low variance, surrogate loss for training generative models. This loss has the property that…

Machine Learning · Computer Science 2026-05-18 Jake Fawkes , Jason Hartford

The availability of data is limited in some fields, especially for object detection tasks, where it is necessary to have correctly labeled bounding boxes around each object. A notable example of such data scarcity is found in the domain of…

Computer Vision and Pattern Recognition · Computer Science 2024-09-11 Matteo Paiano , Stefano Martina , Carlotta Giannelli , Filippo Caruso

Real-world data is often assumed to lie within a low-dimensional structure embedded in high-dimensional space. In practical settings, we observe only a finite set of samples, forming what we refer to as the sample data subspace. It serves…

Machine Learning · Computer Science 2024-11-01 Weiguo Gao , Ming Li

In many engineered systems, optimization is used for decision making at time-scales ranging from real-time operation to long-term planning. This process often involves solving similar optimization problems over and over again with slightly…

Optimization and Control · Mathematics 2019-01-18 Sidhant Misra , Line Roald , Yeesian Ng

Conventional rule learning algorithms aim at finding a set of simple rules, where each rule covers as many examples as possible. In this paper, we argue that the rules found in this way may not be the optimal explanations for each of the…

Machine Learning · Computer Science 2023-01-27 Van Quoc Phuong Huynh , Johannes Fürnkranz , Florian Beck

Traditional reinforcement learning often struggles to generate diverse, high-reward solutions, especially in domains like drug design and black-box function optimization. Markov Chain Monte Carlo (MCMC) methods provide an alternative method…

Machine Learning · Computer Science 2024-10-02 Siyi He

Generative modeling can be formulated as learning a mapping f such that its pushforward distribution matches the data distribution. The pushforward behavior can be carried out iteratively at inference time, for example in diffusion and…

Machine Learning · Computer Science 2026-02-09 Mingyang Deng , He Li , Tianhong Li , Yilun Du , Kaiming He

Many data-driven decision problems are formulated using a nominal distribution estimated from historical data, while performance is ultimately determined by a deployment distribution that may be shifted, context-dependent, partially…

Machine Learning · Computer Science 2026-04-07 Xiuyuan Cheng , Yunqin Zhu , Yao Xie

Recent advances in diffusion$/$flow-matching policies have enabled imitation learning of complex, multi-modal action trajectories. However, they are computationally expensive because they sample a trajectory of trajectories: a…

With the emergence of large-scale pre-trained neural networks, methods to adapt such "foundation" models to data-limited downstream tasks have become a necessity. Fine-tuning, preference optimization, and transfer learning have all been…

Machine Learning · Statistics 2025-07-09 Javan Tahir , Surya Ganguli , Grant M. Rotskoff

Diffusion and flow-based models have enabled significant progress in generation tasks across various modalities and have recently found applications in predictive learning. However, unlike typical generation tasks that encourage sample…

Computer Vision and Pattern Recognition · Computer Science 2026-03-24 Yu Zhang , Xingzhuo Guo , Haoran Xu , Jialong Wu , Mingsheng Long

Many applications of machine learning require a model to make accurate pre-dictions on test examples that are distributionally different from training ones, while task-specific labels are scarce during training. An effective approach to…

Machine Learning · Computer Science 2020-02-20 Weihua Hu , Bowen Liu , Joseph Gomes , Marinka Zitnik , Percy Liang , Vijay Pande , Jure Leskovec

Deep generative frameworks including GANs and normalizing flow models have proven successful at filling in missing values in partially observed data samples by effectively learning -- either explicitly or implicitly -- complex,…

Machine Learning · Computer Science 2021-04-06 Edgar A. Bernal

Diffusion models are commonly interpreted as learning the score function, i.e., the gradient of the log-density of noisy data. However, this assumption implies that the target of learning is a conservative vector field, which is not…

Machine Learning · Computer Science 2025-09-03 An B. Vuong , Michael T. McCann , Javier E. Santos , Yen Ting Lin

Active researches are currently being performed to incorporate the wealth of scientific knowledge into data-driven approaches (e.g., neural networks) in order to improve the latter's effectiveness. In this study, the Theory-guided Neural…

Machine Learning · Computer Science 2020-03-03 Nanzhe Wang , Dongxiao Zhang , Haibin Chang , Heng Li

As trajectories sampled by policies used by reinforcement learning (RL) and generative flow networks (GFlowNets) grow longer, credit assignment and exploration become more challenging, and the long planning horizon hinders mode discovery…

Reinforcement learning policies are typically represented by black-box neural networks, which are non-interpretable and not well-suited for safety-critical domains. To address both of these issues, we propose constrained normalizing flow…

Machine Learning · Computer Science 2024-05-03 Finn Rietz , Erik Schaffernicht , Stefan Heinrich , Johannes A. Stork

Sampling from unnormalized densities is analogous to the generative modeling problem, but the target distribution is defined by a known energy function instead of data samples. Because evaluating the energy function is often costly, a…

Machine Learning · Computer Science 2026-05-06 Aaron Havens , Brian Karrer , Neta Shaul
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