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In this work, we present Enhanced Representation-Based Sampling (ERBS), a novel enhanced sampling method designed to generate structurally diverse training datasets for machine-learned interatomic potentials. ERBS automatically identifies…
Multimodal pretraining is effective for building general-purpose representations, but in many practical deployments, only one modality is heavily used during downstream fine-tuning. Standard pretraining strategies treat all modalities…
The paper presents a robust parameter learning methodology for identification of nonlinear dynamical system from data while satisfying safety and stability constraints in the context of learning from demonstration (LfD) methods. Extreme…
Learning is the basis of both biological and artificial systems when it comes to mimicking intelligent behaviors. From the classical PPO (Proximal Policy Optimization), there is a series of deep reinforcement learning algorithms which are…
We study zeroth-order optimization where solutions must minimize a cost $d(s)$ while maintaining high probability under a complex generative prior $L(s)$ (e.g., a parameterized model). This reduces to sampling from a target distribution…
Vision-language models (VLMs) have exhibited remarkable generalization capabilities, and prompt learning for VLMs has attracted great attention for the ability to adapt pre-trained VLMs to specific downstream tasks. However, existing…
Prompt learning has become a dominant paradigm for adapting vision-language models (VLMs) such as CLIP to downstream tasks without modifying pretrained weights. While extending prompts to both vision and text encoders across multiple…
The objective in this paper is to improve the performance of text-to-image retrieval. To this end, we introduce a new framework that can boost the performance of large-scale pre-trained vision-language models, so that they can be used for…
Recent work has shown potential in using Mixed Integer Programming (MIP) solvers to optimize certain aspects of neural networks (NNs). However the intriguing approach of training NNs with MIP solvers is under-explored.…
We present a comprehensive overview of the Deep Image Prior (DIP) framework and its applications to image reconstruction in computed tomography. Unlike conventional deep learning methods that rely on large, supervised datasets, the DIP…
Memristive nanodevices offer new frontiers for computing systems that unite arithmetic and memory operations on-chip. Here, we explore the integration of electrochemical metallization cell (ECM) nanodevices with tunable filamentary…
The goal of few-shot learning is to generalize and achieve high performance on new unseen learning tasks, where each task has only a limited number of examples available. Gradient-based meta-learning attempts to address this challenging…
Contrastive Language-Image Pre-training (CLIP) model, as an effective pre-trained multimodal neural network, has been widely used in distributed machine learning tasks, especially Federated Learning (FL). Typically, CLIP-based FL adopts…
Compared to Multilayer Neural Networks with real weights, Binary Multilayer Neural Networks (BMNNs) can be implemented more efficiently on dedicated hardware. BMNNs have been demonstrated to be effective on binary classification tasks with…
We introduce a new numerical method based on machine learning to approximate the solution of elliptic partial differential equations with collocation using a set of sigmoidal functions. We show that a feedforward neural network with a…
Though offering unprecedented pathways to molecular dynamics (MD) simulations of technologically-relevant materials and conditions, machine-learning interatomic potentials (MLIPs) are typically trained for ``simple'' materials and…
Random backpropagation (RBP) is a variant of the backpropagation algorithm for training neural networks, where the transpose of the forward matrices are replaced by fixed random matrices in the calculation of the weight updates. It is…
Domain-decomposed variants of physics-informed neural networks (PINNs) such as finite basis PINNs (FBPINNs) mitigate some of PINNs' issues like slow convergence and spectral bias through localisation, but still rely on iterative nonlinear…
Regression mixture models are widely studied in statistics, machine learning and data analysis. Fitting regression mixtures is challenging and is usually performed by maximum likelihood by using the expectation-maximization (EM) algorithm.…
Energy-based models (EBMs) are powerful probabilistic models, but suffer from intractable sampling and density evaluation due to the partition function. As a result, inference in EBMs relies on approximate sampling algorithms, leading to a…