
arXiv:2601.10222v2 Announce Type: replace-cross Abstract: Optimization is central to both modern machine learning (ML) and scientific machine learning (SciML), yet the structure of the underlying optimization problems differs substantially across these domains. Classical ML typically relies on stochastic, sample-separable objectives that favor first-order and adaptive gradient methods. In contrast, SciML often involves physics-informed or operator-constrained formulations in which differential operators induce global coupling, stiffness, and strong anisotropy in the loss landscape. As a result
The proliferation of scientific machine learning (SciML) models necessitates improved optimization methods to unlock their full potential and address current computational limitations.
Advanced optimization for SciML can accelerate scientific discovery, improve engineering design, and enable more accurate simulations across various complex systems, impacting multiple industries.
The explicit recognition and differentiation of optimization challenges between classical ML and SciML will lead to specialized algorithms better suited for physics-informed and operator-constrained problems.
- · SciML researchers
- · Engineering simulation software providers
- · Drug discovery platforms
- · Materials science R&D
- · Organizations relying solely on classical ML optimization for SciML
- · Developers of general-purpose optimization tools without SciML specializations
More efficient and accurate training of scientific machine learning models becomes possible.
This efficiency accelerates research and development cycles in fields like climate modeling, aerospace, and energy.
Breakthroughs in scientific understanding and technological innovation lead to new industries and enhanced national competitiveness.
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Read at arXiv cs.AI