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Accurate modeling of long-range forces is critical in atomistic simulations, as they play a central role in determining the properties of materials and chemical systems. However, standard machine learning interatomic potentials (MLIPs)…
Deep reinforcement learning (RL) agents are able to learn contact-rich manipulation tasks by maximizing a reward signal, but require large amounts of experience, especially in environments with many obstacles that complicate exploration. In…
Machine learning assisted modeling of the inter-atomic potential energy surface (PES) is revolutionizing the field of molecular simulation. With the accumulation of high-quality electronic structure data, a model that can be pretrained on…
In this work, we present a variant of the multilayer random sequential adsorption (RSA) process that is inspired by orthogonal resource sharing in wireless communication networks. In the one-dimensional (1D) version of this variant, the…
For person re-identification (re-id), attention mechanisms have become attractive as they aim at strengthening discriminative features and suppressing irrelevant ones, which matches well the key of re-id, i.e., discriminative feature…
The increasing demand for long-context modeling in large language models (LLMs) is bottlenecked by the quadratic complexity of the standard self-attention mechanism. The community has proposed sparse attention to mitigate this issue.…
Predicting human interaction is challenging as the on-going activity has to be inferred based on a partially observed video. Essentially, a good algorithm should effectively model the mutual influence between the two interacting subjects.…
Transformers are state-of-the-art models for a variety of sequence modeling tasks. At their core is an attention function which models pairwise interactions between the inputs at every timestep. While attention is powerful, it does not…
We propose Low-Rank Sparse Attention (Lorsa), a sparse replacement model of Transformer attention layers to disentangle original Multi Head Self Attention (MHSA) into individually comprehensible components. Lorsa is designed to address the…
Reinforcement learning (RL) approaches based on Markov Decision Processes (MDPs) are predominantly applied in the robot joint space, often relying on limited task-specific information and partial awareness of the 3D environment. In…
We propose a novel recurrent attentional structure to localize and recognize objects jointly. The network can learn to extract a sequence of local observations with detailed appearance and rough context, instead of sliding windows or…
Computational simulation of chemical and biological systems using ab initio molecular dynamics has been a challenge over decades. Researchers have attempted to address the problem with machine learning and fragmentation-based methods.…
While Transformer networks benefit from a global receptive field, their quadratic cost relative to sequence length restricts their application to long sequences and high-resolution inputs. We introduce Fast Multipole Attention (FMA), a…
Adversarial inverse reinforcement learning (IRL) for multi-agent task allocation (MATA) is challenged by non-stationary interactions and high-dimensional coordination. Unconstrained reward inference in these settings often leads to high…
Accurate reconstruction of localized extreme structures remains a critical bottleneck in the physics-informed modeling of electro-thermal-convective flows. Although conventional physics-informed neural networks effectively capture smooth…
The recent focus and release of pre-trained models have been a key components to several advancements in many fields (e.g. Natural Language Processing and Computer Vision), as a matter of fact, pre-trained models learn disparate latent…
Recent advances in multimodal recommendation enable richer item understanding, while modeling users' multi-scale interests across temporal horizons has attracted growing attention. However, effectively exploiting multimodal item sequences…
The reconfigurable intelligent surface (RIS) technology has attracted interest due to its promising coverage and spectral efficiency features. However, some challenges need to be addressed to realize this technology in practice. One of the…
In the realm of deep learning, spatial attention mechanisms have emerged as a vital method for enhancing the performance of convolutional neural networks. However, these mechanisms possess inherent limitations that cannot be overlooked.…
This paper proposes Relational Similarity Machines (RSM): a fast, accurate, and flexible relational learning framework for supervised and semi-supervised learning tasks. Despite the importance of relational learning, most existing methods…