Building Blocks for Better Molecules

A new framework leverages diffusion models and intelligent search to design novel compounds with enhanced properties and targeted activity.

A new framework leverages diffusion models and intelligent search to design novel compounds with enhanced properties and targeted activity.

New research reveals a method for rigorously evaluating whether large language models’ causal statements align with underlying causal relationships.
Researchers have developed a novel artificial intelligence framework that accelerates the discovery of stable materials with precisely targeted properties.
![The system explores the dynamic interplay between an anisotropic oscillator-characterized by a frequency ratio of [latex]\omega_x : \omega_y = 3:5[/latex]-and a coupled rotor, revealing how these components interact within a homogeneous rod of unit mass and length.](https://arxiv.org/html/2601.21491v1/x7.png)
A novel approach to constructing superintegrable mechanical systems leverages the interplay between planar potentials and rigid body rotation.
![The MANTA-RAY platform demonstrates multi-object target reaching capabilities through both hardware implementation and simulation on a [latex]3 \times 3 \times 3[/latex] modular configuration, extending to single-object reach on a smaller [latex]2 \times 2 \times 2[/latex] platform-a scalable architecture hinting at inherent limitations as complexity increases.](https://arxiv.org/html/2601.21884v1/figs/target/sim3x3.png)
Researchers have developed a modular, deformable surface that enables adaptable and distributed grasping of multiple objects with a surprisingly low number of actuators.
A new data-driven approach defines the operational limits for artificial intelligence systems crucial to safety-critical applications.
Researchers have developed a new agent-based model capable of replicating urban mobility patterns across diverse American cities using a unified parameter set.
New research reveals that the way AI planning problems are modeled dramatically affects energy consumption, raising concerns about the environmental impact of increasingly complex algorithms.

A new algorithm allows multi-robot systems to maintain complex formations and coordinated movements by focusing control on the swarm’s center of gravity.

Researchers have developed a novel model that reasons about user behavior chains to provide transparent and insightful recommendations.