相关论文: $\mathbb{i}$CAS: Imposed Automatic Selection and L…
In this article, a novel fast randomized subspace system identification method for estimating combined deterministic-stochastic LTI state-space models, is proposed. The algorithm is especially well-suited to identify high-order and…
The combinatorial scaling of configuration interaction (CI) has long restricted its applicability to only the simplest molecular systems. Here, we report the first numerically exact CI calculation exceeding one quadrillion ($10^{15}$)…
One of the most important parts of environment perception is the detection of obstacles in the surrounding of the vehicle. To achieve that, several sensors like radars, LiDARs and cameras are installed in autonomous vehicles. The produced…
For robots to be able to manipulate in unknown and unstructured environments the robot should be capable of operating under partial observability of the environment. Object occlusions and unmodeled environments are some of the factors that…
Recent advances in artificial intelligence (AI) have enabled effective perception and language models for robots, but their deployment remains computationally expensive, increasing latency and energy use. This work presents the Open…
Topological crystalline insulators (TCIs) are classified by topological invariants defined with respect to the crystalline symmetries of their gapped bulk. The bulk-boundary correspondence then links the topological properties of the bulk…
Compressive sensing (CS) combines data acquisition with compression coding to reduce the number of measurements required to reconstruct a sparse signal. In optics, this usually takes the form of projecting the field onto sequences of random…
The arrival of AI techniques in computations, with the potential for hallucinations and non-robustness, has made trustworthiness of algorithms a focal point. However, trustworthiness of the many classical approaches are not well understood.…
We present model-assisted density fitting (MADF) basis set generator, an algorithm for generating primitive atomic Gaussian density fitting (DF) basis sets (DFBSs) from a contracted Gaussian orbital basis set (OBS). The MADF algorithm…
Foundation models hold significant potential for enabling robots to perform long-horizon general manipulation tasks. However, the simplicity of tasks and the uniformity of environments in existing benchmarks restrict their effective…
Oversampled adaptive sensing (OAS) is a Bayesian framework recently proposed for effective sensing of structured signals in a time-limited setting. In contrast to the conventional blind oversampling, OAS uses the prior information on the…
The natural orbital functional theory (NOFT) has emerged as an alternative formalism to both density functional (DF) and wavefunction methods. In NOFT, the electronic structure is described in terms of the natural orbitals (NOs) and their…
While training models and labeling data are resource-intensive, a wealth of pre-trained models and unlabeled data exists. To effectively utilize these resources, we present an approach to actively select pre-trained models while minimizing…
The task of occupancy forecasting (OCF) involves utilizing past and present perception data to predict future occupancy states of autonomous vehicle surrounding environments, which is critical for downstream tasks such as obstacle avoidance…
Currently, identification of crystallization pathways in polymers is being carried out using molecular simulation-based data on a preset cut-off point on a single order parameter (OP) to define nucleated or crystallized regions. Aside from…
The physical properties of matter are typically described by coefficient matrices governed by crystal symmetry. Applying spatial operations, such as rotation, inversion, and mirror, to these matrices provides an effective approach for…
Large-scale livestock operations pose significant risks to human health and the environment, while also being vulnerable to threats such as infectious diseases and extreme weather events. As the number of such operations continues to grow,…
Reconfigurable intelligent surface (RIS)-assisted communication systems have been extensively studied for providing high-precision location services. However, most studies have overlooked the impact of carrier frequency offset (CFO) and…
Repeated computations on the same molecular system, but with different geometries, are often performed in quantum chemistry, for instance, in ab-initio molecular dynamics simulations or geometry optimizations. While many efficient…
In this introductory review, we give an overview of the computational chemistry methods commonly used in the field of metal-organic frameworks (MOFs), to describe or predict the structures themselves and characterize their various…