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Transformers have proven highly effective across various applications, especially in handling sequential data such as natural languages and time series. However, transformer models often lack clear interpretability, and the success of…
Molecular dynamics (MD) simulations underpin modern computational drug discovery, materials science, and biochemistry. Recent machine learning models provide high-fidelity MD predictions without the need to repeatedly solve quantum…
We present a novel method for learning from demonstration 6-D tasks that can be modeled as a sequence of linear motions and compliances. The focus of this paper is the learning of a single linear primitive, many of which can be sequenced to…
This paper introduces the Omnidirectional Tractable Three Module Robot for traversing inside complex pipe networks. The robot consists of three omnidirectional modules fixed 120{\deg} apart circumferentially which can rotate about their own…
An RNA molecule is structured on several layers. The primary and most obvious structure is its sequence of bases, i.e. a word over the alphabet {A,C,G,U}. The higher structure is a set of one-to-one base-pairings resulting in a…
Robots built from soft materials can alter their shape and size in a particular profile. This shape-changing ability could be extremely helpful for rescue robots and those operating in unknown terrains and environments. In changing shape,…
The pattern formation task is commonly seen in a multi-robot system. In this paper, we study the problem of forming complex shapes with functionally limited mobile robots, which have to rely on other robots to precisely locate themselves.…
Transformers have become methods of choice in many applications thanks to their ability to represent complex interactions between elements. However, extending the Transformer architecture to non-sequential data such as molecules and…
Simulations of biological macromolecules play an important role in understanding the physical basis of a number of complex processes such as protein folding. Even with increasing computational power and evolution of specialized…
Spintronics is the ability of injecting, manipulating and detecting electron spins into solid state systems. Molecular-electronics investigates the possibility of making electronic devices using organic molecules. Traditionally these two…
Molecule inverse folding has been a long-standing challenge in chemistry and biology, with the potential to revolutionize drug discovery and material science. Despite specified models have been proposed for different small- or…
The topological framework of circuit topology has recently been introduced to complement knot theory and to help in understanding the physics of molecular folding. Naturally evolved linear molecular chains, such as proteins and nucleic…
We introduce MolMiner, a fragment-based, geometry-aware, and order-agnostic autoregressive model for molecular design. MolMiner supports conditional generation of molecules over twelve properties, enabling flexible control across…
Rotational symmetry plays a central role in physics, providing an elegant framework to describe how the properties of 3D objects -- from atoms to the macroscopic scale -- transform under the action of rigid rotations. Equivariant models of…
Through the implementation of reconfigurability to achieve flexibility and adaptation to tasks by morphology changes rather than by increasing the number of joints, malleable robots present advantages over traditional serial robot arms in…
A theory of one-tape (one-head) linear-time Turing machines is essentially different from its polynomial-time counterpart since these machines are closely related to finite state automata. This paper discusses structural-complexity issues…
Spin models are used in many studies of complex systems---be it condensed matter physics, neural networks, or economics---as they exhibit rich macroscopic behaviour despite their microscopic simplicity. Here we prove that all the physics of…
We study computationally-hard fundamental motion planning problems where the goal is to translate $k$ axis-aligned rectangular robots from their initial positions to their final positions without collision, and with the minimum number of…
This paper introduces a novel class of hyperredundant robots comprised of chains of permanently magnetized spheres enclosed in a cylindrical polymer skin. With their shape controlled using an externally-applied magnetic field, the spherical…
We explore the following problem: given a collection of creases on a piece of paper, each assigned a folding direction of mountain or valley, is there a flat folding by a sequence of simple folds? There are several models of simple folds;…