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Single-atom catalysts (SACs) have emerged as frontiers for catalyzing chemical reactions, yet the diverse combinations of active elements and support materials, the nature of coordination environments, elude traditional methodologies in…
Deep-learning-based surrogate models show great promise for use in geological carbon storage operations. In this work we target an important application - the history matching of storage systems characterized by a high degree of (prior)…
While complex simulations of physical systems have been widely used in engineering and scientific computing, lowering their often prohibitive computational requirements has only recently been tackled by deep learning approaches. In this…
Time series forecasting (TSF) is critical across domains such as finance, meteorology, and energy. While extending the lookback window theoretically provides richer historical context, in practice, it often introduces irrelevant noise and…
This paper addresses the challenge of dynamic multi-objective optimization problems (DMOPs) by introducing novel approaches for accelerating prediction strategies within the evolutionary algorithm framework. Since the objectives of DMOPs…
We consider optimal experimental design (OED) problems in selecting the most informative observation sensors to estimate model parameters in a Bayesian framework. Such problems are computationally prohibitive when the…
This paper proposes a neural stochastic optimization method for efficiently solving the two-stage stochastic unit commitment (2S-SUC) problem under high-dimensional uncertainty scenarios. The proposed method approximates the second-stage…
Learned image compression has achieved great success due to its excellent modeling capacity, but seldom further considers the Rate-Distortion Optimization (RDO) of each input image. To explore this potential in the learned codec, we make…
In decision-making problems, the outcome of an intervention often depends on the causal relationships between system components and is highly costly to evaluate. In such settings, causal Bayesian optimization (CBO) can exploit the causal…
Complex systems often show macroscopic coherent behavior due to the interactions of microscopic agents like molecules, cells, or individuals in a population with their environment. However, simulating such systems poses several…
Data-driven and non-intrusive DMDc and DMDspc models successfully expedite the reconstruction and forecasting of CO2 fluid flow with acceptable accuracy margins, aiding in the rapid optimization of geological CO2 storage forecast and…
Numerical simulation is an essential tool for many applications involving subsurface flow and transport, yet often suffers from computational challenges due to the multi-physics nature, highly non-linear governing equations, inherent…
The number of processing elements (PEs) in a fixed-sized systolic accelerator is well matched for large and compute-bound DNNs; whereas, memory-bound DNNs suffer from PE underutilization and fail to achieve peak performance and energy…
This paper tackles the growing issue of excessive data transmission in networks. With increasing traffic, backhaul links and core networks are under significant traffic, leading to the investigation of caching solutions at edge routers.…
Recent deep network-based compressive sensing (CS) methods have achieved great success. However, most of them regard different sampling matrices as different independent tasks and need to train a specific model for each target sampling…
The fundamental success of large language models hinges upon the efficacious implementation of large-scale distributed training techniques. Nevertheless, building a vast, high-performance cluster featuring high-speed communication…
Chemical plant design and optimisation have proven challenging due to the complexity of these real-world systems. The resulting complexity translates into high computational costs for these systems' mathematical formulations and simulation…
The advent of neuralmorphic spike cameras has garnered significant attention for their ability to capture continuous motion with unparalleled temporal resolution.However, this imaging attribute necessitates considerable resources for binary…
The dominant paradigm for power system dynamic simulation is to build system-level simulations by combining physics-based models of individual components. The sheer size of the system along with the rapid integration of inverter-based…
The field of neural combinatorial optimization (NCO) trains neural policies to solve NP-hard problems such as the traveling salesperson problem (TSP). We ask whether, beyond producing good tours, a trained TSP solver learns internal…