A locally-built, LLM-digested index of recent arXiv papers in quant finance, geometry/topology, and statistical ML — keyword search served straight from SQLite on this machine.
We enhance autonomous materials research with problem-aware models.
Robot science discovers new materials faster.
Gemini uses inexpensive measurements to correct biases in expensive property evaluations.
GPR enhances materials discovery by automating parameter space exploration.
Bayesian optimization identifies optimal alloy formulations.
Gryffin optimizes categorical variables in materials design, leveraging expert knowledge.
Olympus benchmarks optimization algorithms for noisy experiments.
SANE improves exploration of noisy, multimodal functions by finding multiple optima.
Review of automation's role in chemical discoveries.
In this paper we propose the time-dependent generalization of an `ordinary' autonomous human biomechanics, in which total mechanical + biochemical energy is not conserved. We introduce a general framework for time-dependent biomechanics in terms of jet manifolds associated to the extended musculo-skeletal configuration…
ChemCrow enhances LLMs for chemistry tasks, automating complex chemical processes.
Rank-based Bayesian Optimization improves molecule selection in chemical systems.
Unified framework for non-uniform materials evolving over time.
Paper proposes a new method for designing materials using deep learning.
A groupoid called material groupoid is naturally associated to any simple body . The material distribution is introduced due to the (possible) lack of differentiability of the material groupoid. Thus, the inclusion of these new objects in the theory of material bodies opens th…
Dual energy computed tomography (DECT) imaging plays an important role in advanced imaging applications due to its material decomposition capability. Image-domain decomposition operates directly on CT images using linear matrix inversion, but the decomposed material images can be severely degraded by noise and artifact…
Develops active learning for Jump Gaussian Process models.
Active learning improves neutron spectroscopy experiments by automating measurement selection.
The study improves deep learning models for safer autonomous vehicles.
A Lie groupoid, called \textit{material Lie groupoid}, is associated in a natural way to any elastic material. The corresponding Lie algebroid, called \textit{material algebroid}, is used to characterize the uniformity and the homogeneity properties of the material. The relation to previous results in terms of stru…
A major challenge in materials design is how to efficiently search the vast chemical design space to find the materials with desired properties. One effective strategy is to develop sampling algorithms that can exploit both explicit chemical knowledge and implicit composition rules embodied in the large materials datab…
Integrated Computational Materials Engineering (ICME) aims to accelerate optimal design of complex material systems by integrating material science and design automation. For tractable ICME, it is required that (1) a structural feature space be identified to allow reconstruction of new designs, and (2) the reconstructi…
Recognizing an object's material can inform a robot on the object's fragility or appropriate use. To estimate an object's material during manipulation, many prior works have explored the use of haptic sensing. In this paper, we explore a technique for robots to estimate the materials of objects using spectroscopy. We d…
This work improves safety validation of autonomous vehicles by finding interpretable failures.
Surgeons normally need surgical scissors and tissue grippers to cut through a deformable surgical tissue. The cutting accuracy depends on the skills to manipulate these two tools. Such skills are part of basic surgical skills training as in the Fundamentals of Laparoscopic Surgery. The gripper is used to pinch a point …
Proves rigidity of 3D partially hyperbolic systems via autonomous dynamics.
We present a learning-based system for rapid mass-scale material synthesis that is useful for novice and expert users alike. The user preferences are learned via Gaussian Process Regression and can be easily sampled for new recommendations. Typically, each recommendation takes 40-60 seconds to render with global illumi…
New algorithm improves materials discovery using max K-Armed Bandit.
The paper introduces new uniformity and homogeneity concepts for Cosserat media.
FlowLLM uses LLMs and flow matching to efficiently generate novel materials.
Lie groupoids and their associated algebroids arise naturally in the study of the constitutive properties of continuous media. Thus, Continuum Mechanics and Differential Geometry illuminate each other in a mutual entanglement of theory and applications. Given any material property, such as the elastic energy or an inde…
Computational materials screening studies require fast calculation of the properties of thousands of materials. The calculations are often performed with Density Functional Theory (DFT), but the necessary computer time sets limitations for the investigated material space. Therefore, the development of machine learning …
4-dim intrinsic (material) Riemannian metric of the material 4-D space-time continuum is utilized as the characteristic of the aging processes developing in the material. Manifested through variation of basic material characteristics such as density, moduli of elasticity, yield stress, strength, and toughness.,…
In this study, we establish a basis for selecting similarity measures when applying machine learning techniques to solve materials science problems. This selection is considered with an emphasis on the distinctiveness between materials that reflect their nature well. We perform a case study with a dataset of rare-earth…
Method reveals dissimilarity in alloys' Curie temperatures.
We propose a machine learning approach to address a key challenge in materials science: predicting how fractures propagate in brittle materials under stress, and how these materials ultimately fail. Our methods use deep learning and train on simulation data from high-fidelity models, emulating the results of these mode…
Generalizes energy-momentum method for non-autonomous Hamiltonian systems.
This paper explores formal verification for autonomous systems, identifying limitations and proposing improvements.
Study material evolution using groupoids to track intrinsic properties.
A new method optimizes material discovery by balancing exploration and exploitation.
Material recognition enables robots to incorporate knowledge of material properties into their interactions with everyday objects. For example, material recognition opens up opportunities for clearer communication with a robot, such as "bring me the metal coffee mug", and recognizing plastic versus metal is crucial whe…
The paper explores new risk models for autonomous driving.
New geometric model explains material evolution in morphogenesis.
Although Bayesian Optimization (BO) has been employed for accelerating materials design in computational materials engineering, existing works are restricted to problems with quantitative variables. However, real designs of materials systems involve both qualitative and quantitative design variables representing materi…
Microstructures of a material form the bridge linking processing conditions - which can be controlled, to the material property - which is the primary interest in engineering applications. Thus a critical task in material design is establishing the processing-structure relationship, which requires domain expertise and …
The discovery of processes for the synthesis of new materials involves many decisions about process design, operation, and material properties. Experimentation is crucial but as complexity increases, exploration of variables can become impractical using traditional combinatorial approaches. We describe an iterative met…
Physics-constrained GP predicts material states under shockwave conditions.
New Bayesian optimization models for efficient material screening.