相关论文: Transferable SCF-Acceleration through Solver-Align…

Class Incremental Learning (CIL) is inspired by the human ability to learn new classes without forgetting previous ones. CIL becomes more challenging in real-world scenarios when the samples in each incremental step are imbalanced. This…

Despite remarkable successes in solving various complex decision-making tasks, training an imitation learning (IL) algorithm with deep neural networks (DNNs) suffers from the high computation burden. In this work, we propose quantum…

We study the problem of training a risk-sensitive reinforcement learning (RL) agent through imitation learning (IL). Unlike standard IL, our goal is not only to train an agent that matches the expert's expected return (i.e., its average…

Few-shot class-incremental learning (FSCIL) faces challenges of memorizing old class distributions and estimating new class distributions given few training samples. In this study, we propose a learnable distribution calibration (LDC)…

As Internet of Things (IoT) technology advances, end devices like sensors and smartphones are progressively equipped with AI models tailored to their local memory and computational constraints. Local inference reduces communication costs…

We formulate the Kohn-Sham density functional theory (KS-DFT) as a statistical theory in which the electron density is deter-mined from an average of correlated stochastic densities in a trace formula. The key idea is that it is sufficient…

Rehearsal approaches in class incremental learning (CIL) suffer from decision boundary overfitting to new classes, which is mainly caused by two factors: insufficiency of old classes data for knowledge distillation and imbalanced data…

Improving the reasoning capabilities of large language models (LLMs) typically relies either on the model's ability to sample a correct solution to be reinforced or on the existence of a stronger model able to solve the problem. However,…

We present an efficient preconditioning technique for accelerating the fixed point iteration in real-space Kohn-Sham density functional theory (DFT) calculations. The preconditioner uses a low rank approximation of the dielectric matrix…

Markov Random Fields (MRFs) are a popular model for several pattern recognition and reconstruction problems in robotics and computer vision. Inference in MRFs is intractable in general and related work resorts to approximation algorithms.…

Diffusion models (DMs) have made significant progress in the fields of image, audio, and video generation. One downside of DMs is their slow iterative process. Recent algorithms for fast sampling are designed from the perspective of…

K-means clustering, as a classic unsupervised machine learning algorithm, is the key step to select the interpolation sampling points in interpolative separable density fitting (ISDF) decomposition. Real-valued K-means clustering for…

DFT calculations have become widespread in both chemistry and materials, because they usually provide useful accuracy at much lower computational cost than wavefunction-based methods. All practical DFT calculations require an approximation…

Federated Learning (FL) is a promising distributed machine learning framework that allows collaborative learning of a global model across decentralized devices without uploading their local data. However, in real-world FL scenarios, the…

The quantum mechanical ground state of electrons is described by Density Functional Theory, which leads to large minimization problems. An efficient minimization method uses a selfconsistent field (SCF) solution of large eigenvalue…

A crucial aspect in the simulation of electrochemical interfaces consists in treating the distribution of electronic charge of electrode materials that are put in contact with an electrolyte solution. Recently, it has been shown how a…

Federated Class-Incremental Learning (FCIL) enables Class-Incremental Learning (CIL) from distributed data. Existing FCIL methods typically integrate old knowledge preservation into local client training. However, these methods cannot avoid…

We present a modern scalable reinforcement learning agent called SEED (Scalable, Efficient Deep-RL). By effectively utilizing modern accelerators, we show that it is not only possible to train on millions of frames per second but also to…

As the size of deep learning models gets larger and larger, training takes longer time and more resources, making fault tolerance more and more critical. Existing state-of-the-art methods like CheckFreq and Elastic Horovod need to back up a…

The kernel-independent fast multipole method (KIFMM) proposed in [1] is of almost linear complexity. In the original KIFMM the time-consuming M2L translations are accelerated by FFT. However, when more equivalent points are used to achieve…