output
20172026
most citedDeePMD-kit v3: A Multiple-Backend Framework for Machine Learning Potentials

100 citations

23 papers

cs.AI2026

Prior Knowledge or Search? A Study of LLM Agents in Hardware-Aware Code Optimization

Dmitry Redko, Albert Fazlyev, Konstantin Sozykin +3

LLM discovery and optimization systems are increasingly applied across domains, implementing a common propose-evaluate-revise loop. Such optimization or discovery progresses via co…

cs.LG2026

Semantic State Abstraction Interfaces for LLM-Augmented Portfolio Decisions: Multi-Axis News Decomposition and RL Diagnostics

Likhita Yerra, Remi Uttejitha Allam

We introduce Semantic State Abstraction Interfaces (SSAI): a methodological template for mapping sparse unstructured text into auditable, named coordinates with neutral default…

cs.CV2025★ 11 cited

Human Motion Video Generation: A Survey

Haiwei Xue, Xiangyang Luo, Zhanghao Hu +12

Human motion video generation has garnered significant research interest due to its broad applications, enabling innovations such as photorealistic singing heads or dynamic avatars…

cs.LG2025

RTD-Lite: Scalable Topological Analysis for Comparing Weighted Graphs in Learning Tasks

Eduard Tulchinskii, Daria Voronkova, Ilya Trofimov +2

Topological methods for comparing weighted graphs are valuable in various learning tasks but often suffer from computational inefficiency on large datasets. We introduce RTD-Lite,…

physics.chem-ph2025★ 100 cited

DeePMD-kit v3: A Multiple-Backend Framework for Machine Learning Potentials

Jinzhe Zeng, Duo Zhang, Anyang Peng +44

In recent years, machine learning potentials (MLPs) have become indispensable tools in physics, chemistry, and materials science, driving the development of software packages for m…

physics.comp-ph2025★ 2 cited

Deep variational free energy prediction of dense hydrogen solid at 1200K

Xinyang Dong, Hao Xie, Yixiao Chen +4

We perform deep variational free energy calculations to investigate the dense hydrogen system at 1200 K and high pressures. In this computational framework, neural networks are use…

cond-mat.mtrl-sci2024★ 7 cited

Exploring the energy landscape of aluminas through machine learning interatomic potential

Lei Zhang, Wenhao Luo, Renxi Liu +3

Aluminum oxide (alumina, AlO) exists in various structures and has broad industrial applications. While the crystal structure of -AlO is well-established, those…

cs.RO2024★ 7 cited

LEGATO: Cross-Embodiment Imitation Using a Grasping Tool

Mingyo Seo, H. Andy Park, Shenli Yuan +2

Cross-embodiment imitation learning enables policies trained on specific embodiments to transfer across different robots, unlocking the potential for large-scale imitation learning…

cond-mat.stat-mech2024★ 6 cited

Solvation Free Energies from Neural Thermodynamic Integration

Bálint Máté, François Fleuret, Tristan Bereau

We present a method for computing free-energy differences using thermodynamic integration with a neural network potential that interpolates between two target Hamiltonians. The int…

cs.LG2024

Prospector Heads: Generalized Feature Attribution for Large Models & Data

Gautam Machiraju, Alexander Derry, Arjun Desai +6

Feature attribution, the ability to localize regions of the input data that are relevant for classification, is an important capability for ML models in scientific and biomedical d…

cs.CL2023★ 1 cited

Bridge Diffusion Model: Bridge Chinese Text-to-Image Diffusion Model with English Communities

Shanyuan Liu, Bo Cheng, Yuhang Ma +5

Text-to-Image generation (TTI) technologies are advancing rapidly, especially in the English language communities. However, apart from the user input language barrier problem, Engl…

cs.CL2023

Machine Reading Comprehension using Case-based Reasoning

Dung Thai, Dhruv Agarwal, Mudit Chaudhary +6

We present an accurate and interpretable method for answer extraction in machine reading comprehension that is reminiscent of case-based reasoning (CBR) from classical AI. Our meth…

cs.CL2023★ 17 cited

The Elephant in the Room: Analyzing the Presence of Big Tech in Natural Language Processing Research

Mohamed Abdalla, Jan Philip Wahle, Terry Ruas +4

Recent advances in deep learning methods for natural language processing (NLP) have created new business opportunities and made NLP research critical for industry development. As o…

cond-mat.str-el2023★ 1 cited

Computational exploration of a viable route to Kitaev-quantum spin liquid phase in OsCl

Qiangqiang Gu, Shishir Kumar Pandey, Yihao Lin

In this computational study, we explore a viable route to access the Kitaev-Quantum Spin Liquid (QSL) state in recently synthesized monolayer of a so-called spin-orbit assisted Mot…

cs.RO2022★ 16 cited

Reaching Through Latent Space: From Joint Statistics to Path Planning in Manipulation

Chia-Man Hung, Shaohong Zhong, Walter Goodwin +4

We present a novel approach to path planning for robotic manipulators, in which paths are produced via iterative optimisation in the latent space of a generative model of robot pos…

math.OC2022

Progressive Optimal Path Sampling for Closed-Loop Optimal Control Design with Deep Neural Networks

Xuanxi Zhang, Jihao Long, Wei Hu +2

Closed-loop optimal control design for high-dimensional nonlinear systems has been a long-standing challenge. Traditional methods, such as solving the associated Hamilton-Jacobi-Be…

cs.SI2022★ 13 cited

Affective Signals in a Social Media Recommender System

Jane Dwivedi-Yu, Yi-Chia Wang, Lijing Qin +2

People come to social media to satisfy a variety of needs, such as being informed, entertained and inspired, or connected to their friends and community. Hence, to design a ranking…

cs.AR2022★ 10 cited

VSA: Reconfigurable Vectorwise Spiking Neural Network Accelerator

Hong-Han Lien, Chung-Wei Hsu, Tian-Sheuan Chang

Spiking neural networks (SNNs) that enable low-power design on edge devices have recently attracted significant research. However, the temporal characteristic of SNNs causes high l…

cs.SE2022★ 10 cited

Prescriptive and Descriptive Approaches to Machine-Learning Transparency

David Adkins, Bilal Alsallakh, Adeel Cheema +7

Specialized documentation techniques have been developed to communicate key facts about machine-learning (ML) systems and the datasets and models they rely on. Techniques such as D…

cs.CV2022★ 95 cited

Transformer Inertial Poser: Real-time Human Motion Reconstruction from Sparse IMUs with Simultaneous Terrain Generation

Yifeng Jiang, Yuting Ye, Deepak Gopinath +3

Real-time human motion reconstruction from a sparse set of (e.g. six) wearable IMUs provides a non-intrusive and economic approach to motion capture. Without the ability to acquire…

cond-mat.stat-mech2022★ 16 cited

of two-dimensional electron gas: a neural canonical transformation study

Hao Xie, Linfeng Zhang, Lei Wang

The quasiparticle effective mass of interacting electrons is a fundamental quantity in the Fermi liquid theory. However, the precise value of the effective mass of uniform…

cs.CV2020★ 3 cited

Referring Image Segmentation via Cross-Modal Progressive Comprehension

Shaofei Huang, Tianrui Hui, Si Liu +5

Referring image segmentation aims at segmenting the foreground masks of the entities that can well match the description given in the natural language expression. Previous approach…

cs.LG2017★ 2 cited

Nonconvex Sparse Spectral Clustering by Alternating Direction Method of Multipliers and Its Convergence Analysis

Canyi Lu, Jiashi Feng, Zhouchen Lin +1

Spectral Clustering (SC) is a widely used data clustering method which first learns a low-dimensional embedding of data by computing the eigenvectors of the normalized Laplacia…