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Coarsening Causal DAG Models

Madaleno, Francisco, Misra, Pratik, Markham, Alex

arXiv.org Machine Learning

Directed acyclic graphical (DAG) models are a powerful tool for representing causal relationships among jointly distributed random variables, especially concerning data from across different experimental settings. However, it is not always practical or desirable to estimate a causal model at the granularity of given features in a particular dataset. There is a growing body of research on causal abstraction to address such problems. We contribute to this line of research by (i) providing novel graphical identifiability results for practically-relevant interventional settings, (ii) proposing an efficient, provably consistent algorithm for directly learning abstract causal graphs from interventional data with unknown intervention targets, and (iii) uncovering theoretical insights about the lattice structure of the underlying search space, with connections to the field of causal discovery more generally. As proof of concept, we apply our algorithm on synthetic and real datasets with known ground truths, including measurements from a controlled physical system with interacting light intensity and polarization.


Lattice partition recovery with dyadic CART

Neural Information Processing Systems

We study piece-wise constant signals corrupted by additive Gaussian noise over a $d$-dimensional lattice. Data of this form naturally arise in a host of applications, and the tasks of signal detection or testing, de-noising and estimation have been studied extensively in the statistical and signal processing literature. In this paper we consider instead the problem of partition recovery, i.e.~of estimating the partition of the lattice induced by the constancy regions of the unknown signal, using the computationally-efficient dyadic classification and regression tree (DCART) methodology proposed by \citep{donoho1997cart}. We prove that, under appropriate regularity conditions on the shape of the partition elements, a DCART-based procedure consistently estimates the underlying partition at a rate of order $\sigma^2 k^* \log (N)/\kappa^2$, where $k^*$ is the minimal number of rectangular sub-graphs obtained using recursive dyadic partitions supporting the signal partition, $\sigma^2$ is the noise variance, $\kappa$ is the minimal magnitude of the signal difference among contiguous elements of the partition and $N$ is the size of the lattice. Furthermore, under stronger assumptions, our method attains a sharper estimation error of order $\sigma^2\log(N)/\kappa^2$, independent of $k^*$, which we show to be minimax rate optimal. Our theoretical guarantees further extend to the partition estimator based on the optimal regression tree estimator (ORT) of \cite{chatterjee2019adaptive} and to the one obtained through an NP-hard exhaustive search method. We corroborate our theoretical findings and the effectiveness of DCART for partition recovery in simulations.


Periodic Graph Transformers for Crystal Material Property Prediction

Neural Information Processing Systems

We consider representation learning on periodic graphs encoding crystal materials. Different from regular graphs, periodic graphs consist of a minimum unit cell repeating itself on a regular lattice in 3D space. How to effectively encode these periodic structures poses unique challenges not present in regular graph representation learning. In addition to being E(3) invariant, periodic graph representations need to be periodic invariant. That is, the learned representations should be invariant to shifts of cell boundaries as they are artificially imposed. Furthermore, the periodic repeating patterns need to be captured explicitly as lattices of different sizes and orientations may correspond to different materials. In this work, we propose a transformer architecture, known as Matformer, for periodic graph representation learning. Our Matformer is designed to be invariant to periodicity and can capture repeating patterns explicitly.


Automated Construction of Artificial Lattice Structures with Designer Electronic States

Narasimha, Ganesh, Telychko, Mykola, Yang, Wooin, Baddorf, Arthur P., Ganesh, P., Li, An-Ping, Vasudevan, Rama

arXiv.org Artificial Intelligence

Manipulating matter with a scanning tunneling microscope (STM) enables creation of atomically defined artificial structures that host designer quantum states. However, the time-consuming nature of the manipulation process, coupled with the sensitivity of the STM tip, constrains the exploration of diverse configurations and limits the size of designed features. In this study, we present a reinforcement learning (RL)-based framework for creating artificial structures by spatially manipulating carbon monoxide (CO) molecules on a copper substrate using the STM tip. The automated workflow combines molecule detection and manipulation, employing deep learning-based object detection to locate CO molecules and linear assignment algorithms to allocate these molecules to designated target sites. We initially perform molecule maneuvering based on randomized parameter sampling for sample bias, tunneling current setpoint and manipulation speed. This dataset is then structured into an action trajectory used to train an RL agent. The model is subsequently deployed on the STM for real-time fine-tuning of manipulation parameters during structure construction. Our approach incorporates path planning protocols coupled with active drift compensation to enable atomically precise fabrication of structures with significantly reduced human input while realizing larger-scale artificial lattices with desired electronic properties. Using our approach, we demonstrate the automated construction of an extended artificial graphene lattice and confirm the existence of characteristic Dirac point in its electronic structure. Further challenges to RL-based structural assembly scalability are discussed.


Reconfigurable Auxetic Devices (RADs) for Robotic Surface Manipulation

Miske, Jacob, Maya, Ahyan, Inkiad, Ahnaf, Lipton, Jeffrey Ian

arXiv.org Artificial Intelligence

Robotic surfaces traditionally use materials with a positive Poisson's ratio to push and pull on a manipulation interface. Auxetic materials with a negative Poisson's ratio may expand in multiple directions when stretched and enable conformable interfaces. Here we demonstrate reconfigurable auxetic lattices for robotic surface manipulation. Our approach enables shape control through reconfigurable locking or embedded servos that underactuate an auxetic lattice structure. Variable expansion of local lattice areas is enabled by backlash between unit cells. Demonstrations of variable surface conformity are presented with characterization metrics. Experimental results are validated against a simplified model of the system, which uses an activation function to model intercell coupling with backlash. Reconfigurable auxetic structures are shown to achieve manipulation via variable surface contraction and expansion. This structure maintains compliance with backlash in contrast with previous work on auxetics, opening new opportunities in adaptive robotic structures for surface manipulation tasks.


R2Q: Towards Robust 2-Bit Large Language Models via Residual Refinement Quantization

Chen, Jiayi, Shi, Jieqi, Huo, Jing, Wu, Chen

arXiv.org Artificial Intelligence

The rapid progress of Large Language Models (LLMs) has brought substantial computational and memory demands, spurring the adoption of low-bit quantization. While 8-bit and 4-bit formats have become prevalent, extending quantization to 2 bits remains challenging due to severe accuracy degradation. To address this, we propose Residual Refinement Quantization (R2Q)-a novel 2-bit quantization framework that decomposes the process into two sequential 1-bit sub-quantizations, forming an adaptive quantization lattice. Extensive evaluations on Llama, OPT, and Qwen across diverse benchmarks-covering question answering, commonsense reasoning, and language modeling-demonstrate that R2Q consistently outperforms existing 2-bit quantization methods in both fine-grained and coarse-grained settings. By refining quantization through a residual learning mechanism, R2Q enhances performance, improves training stability, and accelerates convergence under extreme compression. Furthermore, its modular design enables seamless integration with existing quantization-aware training (QAT) frameworks.


Learning Degenerate Manifolds of Frustrated Magnets with Boltzmann Machines

Glass, Jackson C., Chern, Gia-Wei

arXiv.org Artificial Intelligence

We show that Restricted Boltzmann Machines (RBMs) provide a flexible generative framework for modeling spin configurations in disordered yet strongly correlated phases of frustrated magnets. As a benchmark, we first demonstrate that an RBM can learn the zero-temperature ground-state manifold of the one-dimensional ANNNI model at its multiphase point, accurately reproducing its characteristic oscillatory and exponentially decaying correlations. We then apply RBMs to kagome spin ice and show that they successfully learn the local ice rules and short-range correlations of the extensively degenerate ice-I manifold. Correlation functions computed from RBM-generated configurations closely match those from direct Monte Carlo simulations. For the partially ordered ice-II phase -- featuring long-range charge order and broken time-reversal symmetry -- accurate modeling requires RBMs with uniform-sign bias fields, mirroring the underlying symmetry breaking. These results highlight the utility of RBMs as generative models for learning constrained and highly frustrated magnetic states.


An Efficient Computational Framework for Discrete Fuzzy Numbers Based on Total Orders

Mir, Arnau, Mus, Alejandro, Riera, Juan Vicente

arXiv.org Artificial Intelligence

Discrete fuzzy numbers, and in particular those defined over a finite chain $L_n = \{0, \ldots, n\}$, have been effectively employed to represent linguistic information within the framework of fuzzy systems. Research on total (admissible) orderings of such types of fuzzy subsets, and specifically those belonging to the set $\mathcal{D}_1^{L_n\rightarrow Y_m}$ consisting of discrete fuzzy numbers $A$ whose support is a closed subinterval of the finite chain $L_n = \{0, 1, \ldots, n\}$ and whose membership values $A(x)$, for $x \in L_n$, belong to the set $Y_m = \{ 0 = y_1 < y_2 < \cdots < y_{m-1} < y_m = 1 \}$, has facilitated the development of new methods for constructing logical connectives, based on a bijective function, called $\textit{pos function}$, that determines the position of each $A \in \mathcal{D}_1^{L_n\rightarrow Y_m}$. For this reason, in this work we revisit the problem by introducing algorithms that exploit the combinatorial structure of total (admissible) orders to compute the $\textit{pos}$ function and its inverse with exactness. The proposed approach achieves a complexity of $\mathcal{O}(n^{2} m \log n)$, which is quadratic in the size of the underlying chain ($n$) and linear in the number of membership levels ($m$). The key point is that the dominant factor is $m$, ensuring scalability with respect to the granularity of membership values. The results demonstrate that this formulation substantially reduces computational cost and enables the efficient implementation of algebraic operations -- such as aggregation and implication -- on the set of discrete fuzzy numbers.