Tootfinder

The User-first Approach to AI Ethics: Preferences for Ethical Principles in AI Systems across Cultures and Contexts
Benjamin J. Carroll, Jianlong Zhou, Paul F. Burke, Sabine Ammon
https://arxiv.org/abs/2508.11327

The User-first Approach to AI Ethics: Preferences for Ethical Principles in AI Systems across Cultures and Contexts
As AI systems increasingly permeate everyday life, designers and developers face mounting pressure to balance innovation with ethical design choices. To date, the operationalisation of AI ethics has predominantly depended on frameworks that prescribe which ethical principles should be embedded within AI systems. However, the extent to which users value these principles remains largely unexplored in the existing literature. In a discrete choice experiment conducted in four countries, we quantify…

"the Groucho Marx school of American diplomacy. You want principles in foreign policy? Mr Trump has principles, and if they don’t deliver quickly, well, he finds he has others"
Via Adam Roberts at the #TheEconomist

Contrasting magnetic anisotropy in CrCl3 and CrBr3: A first-principles study
Jiazhuang Si, Shuyuan Liu, Bing Wang, Chongze Wang, Fengzhu Ren, Yu Jia, Jun-Hyung Cho
https://arxiv.org/abs/2509.13824

Contrasting magnetic anisotropy in CrCl3 and CrBr3: A first-principles study
We present a first-principles study of the contrasting easy magnetization axes(EMAs) in the layered chromium trihalides CrCl3 and CrBr3, which exhibit in-plane and out-of-plane EMAs, respectively. Using density-functional theory calculations, we show that the EMA is determined by the interplay between spin-orbit coupling-induced magnetocrystalline anisotropy energy (SOC-MAE) and shape magnetic anisotropy energy(shape-MAE) arising from dipole-dipole interactions. While the Cr d orbitals contribu…

"Implementing Responsible AI: A Life-Cycle Reference Model Based on FATES Principles" https://doi.org/10.1142/S0219649225500789

Principles of Physiological Closed-Loop Controllers in Neuromodulation
Victoria S. Marks, Joram vanRheede, Dean Karantonis, Rosana Esteller, David Dinsmoor, John Fleming, Barrett Larson, Lane Desborough, Peter Single, Robert Raike, Pierre-Francois DHaese, Dario J. Englot, Scott Lempka, Richard North, Lawrence Poree, Marom Bikson, Tim J. Denison
https://

Principles of Physiological Closed-Loop Controllers in Neuromodulation
As neurostimulation devices increasingly incorporate closed-loop functionality, the greater design complexity brings additional requirements for risk management and special considerations to optimise benefit. This manuscript creates a common framework upon which all current and planned neuromodulation-based physiological closed-loop controllers (PCLCs) can be mapped including integration of the Technical Considerations of Medical Devices with Physiologic Closed-Loop Control Technology guidance …

Memory-Augmented Transformers: A Systematic Review from Neuroscience Principles to Technical Solutions
Parsa Omidi, Xingshuai Huang, Axel Laborieux, Bahareh Nikpour, Tianyu Shi, Armaghan Eshaghi
https://arxiv.org/abs/2508.10824

Memory-Augmented Transformers: A Systematic Review from Neuroscience Principles to Technical Solutions
Memory is fundamental to intelligence, enabling learning, reasoning, and adaptability across biological and artificial systems. While Transformer architectures excel at sequence modeling, they face critical limitations in long-range context retention, continual learning, and knowledge integration. This review presents a unified framework bridging neuroscience principles, including dynamic multi-timescale memory, selective attention, and consolidation, with engineering advances in Memory-Augment…

Dissipation-Induced Steady States in Topological Superconductors: Mechanisms and Design Principles
M. S. Shustin, S. V. Aksenov, I. S. Burmistrov
https://arxiv.org/abs/2508.11242

Dissipation-Induced Steady States in Topological Superconductors: Mechanisms and Design Principles
The search for conditions supporting degenerate steady states in nonequilibrium topological superconductors is important for advancing dissipative quantum engineering, a field that has attracted significant research attention over the past decade. In this study, we address this problem by investigating topological superconductors hosting unpaired Majorana modes under the influence of environmental dissipative fields. Within the Gorini-Kossakowski-Sudarshan-Lindblad framework and the third quant…

Time-dependent Variational Principles for Hybrid Non-Unitary Dynamics: Application to Driven-Dissipative Superconductors
Pasquale Filice, Marco Schir\`o, Giacomo Mazza
https://arxiv.org/abs/2510.12737 …

Time-dependent Variational Principles for Hybrid Non-Unitary Dynamics: Application to Driven-Dissipative Superconductors
We introduce time-dependent variational principles to study the non-unitary dynamics of open quantum many-body systems, including dynamics described by the full Lindblad master equation, the non-Hermitian dynamics corresponding to the no-click limit of the fully post-selected quantum trajectories, and the dynamics described by a hybrid Lindbladian with a control parameter $α$ which interpolates between the full post-selection and averaging over all quantum trajectories. As an application we st…

Explaining Principles of Tip-Enhanced Raman Images with Ab Initio Modeling
Krystof Brezina, Yair Litman, Mariana Rossi
https://arxiv.org/abs/2509.13075 https://

Explaining Principles of Tip-Enhanced Raman Images with Ab Initio Modeling
Tip-enhanced Raman spectroscopy (TERS) is a powerful method for imaging vibrational motion and chemically characterizing surface-bound systems. Theoretical simulations of TERS images often consider systems in isolation, ignoring any substrate support, such as metallic surfaces. Here, we show that this omission leads to deviations from experimentally measured data through simulations with a new finite-field formulation of first-principles simulation of TERS spectra that can address extended, per…

Data-driven Methods of Extracting Text Structure and Information Transfer
Shinichi Honna, Taichi Murayama, Akira Matsui
https://arxiv.org/abs/2509.12999 https://

Data-driven Methods of Extracting Text Structure and Information Transfer
The Anna Karenina Principle (AKP) holds that success requires satisfying a small set of essential conditions, whereas failure takes diverse forms. We test AKP, its reverse, and two further patterns described as ordered and noisy across novels, online encyclopedias, research papers, and movies. Texts are represented as sequences of functional blocks, and convergence is assessed in transition order and position. Results show that structural principles vary by medium: novels follow reverse AKP in …

Information Transmission and Processing in G-Protein-Coupled-Receptor Complexes
Roger D. Jones, Achille Giacometti, Alan M. Jones
https://arxiv.org/abs/2508.11039 https://

Information Transmission and Processing in G-Protein-Coupled-Receptor Complexes
G-protein-coupled receptors (GPCRs) are central to cellular information processing, yet the physical principles governing their switching behavior remain incompletely understood. We present a first principles theoretical framework, grounded in nonequilibrium thermodynamics, to describe GPCR switching as observed in light-controlled impedance assays. The model identifies two fundamental control parameters: (1) ATP/GTP-driven chemical flux through the receptor complex, and (2) the free-energy dif…

GuardianPWA: Enhancing Security Throughout the Progressive Web App Installation Lifecycle
Mengxiao Wang, Guofei Gu
https://arxiv.org/abs/2509.13561 https://

GuardianPWA: Enhancing Security Throughout the Progressive Web App Installation Lifecycle
Progressive Web App (PWA) installation is critical for integrat- ing web and mobile app functionalities, offering a seamless user experience. However, ensuring the security of the PWA installa- tion lifecycle is essential for maintaining user trust and privacy. This paper introduces the GUARDIANPWA framework, a compre- hensive approach to analyzing the PWA installation mechanism based on the CIA security principles (Confidentiality, Integrity, and Availability) and identifying areas where brows…

CogniAlign: Survivability-Grounded Multi-Agent Moral Reasoning for Safe and Transparent AI
Hasin Jawad Ali, Ilhamul Azam, Ajwad Abrar, Md. Kamrul Hasan, Hasan Mahmud
https://arxiv.org/abs/2509.13356

CogniAlign: Survivability-Grounded Multi-Agent Moral Reasoning for Safe and Transparent AI
The challenge of aligning artificial intelligence (AI) with human values persists due to the abstract and often conflicting nature of moral principles and the opacity of existing approaches. This paper introduces CogniAlign, a multi-agent deliberation framework based on naturalistic moral realism, that grounds moral reasoning in survivability, defined across individual and collective dimensions, and operationalizes it through structured deliberations among discipline-specific scientist agents. …

Deconstructing Attention: Investigating Design Principles for Effective Language Modeling
Huiyin Xue, Nafise Sadat Moosavi, Nikolaos Aletras
https://arxiv.org/abs/2510.11602 htt…

Deconstructing Attention: Investigating Design Principles for Effective Language Modeling
The success of Transformer language models is widely credited to their dot-product attention mechanism, which interweaves a set of key design principles: mixing information across positions (enabling multi-token interactions), sequence-dependent activations (where attention weights adapt to each input), a specific mathematical form (dot-product similarities plus softmax weighting), and coupling of queries and keys to evolving hidden states (grounding attention in the current layer). However, th…

Explicit construction of the energy-momentum tensor in the large N limit
Carlo Pagani, Hidenori Sonoda
https://arxiv.org/abs/2508.11506 https://arxiv.org/p…

Explicit construction of the energy-momentum tensor in the large N limit
We construct the energy-momentum tensor of the O(N) linear sigma model explicitly in the large N limit. Our guiding principles behind the construction are twofold: first the energy-momentum tensor must satisfy the Ward identity for translation and rotation invariance, and second the energy-momentum tensor must have proper cutoff dependence as a composite operator. We verify that the energy-momentum tensor thus constructed satisfies the expected trace formula, and that the trace vanishes at the …

Carrier Density Dependence of Superconducting Transition Temperature in Electron-doped $\rm{SrTiO_3}$ Based on the First-principles Calculations
Riku Ikaida, Kazuhiro Sano, Yoshimi Masuda, Takuya Sekikawa, Yoshiaki \=Ono
https://arxiv.org/abs/2509.10881

Carrier Density Dependence of Superconducting Transition Temperature in Electron-doped $\rm{SrTiO_3}$ Based on the First-principles Calculations
Electron-doped strontium titanate $\rm{SrTiO_3}$, known to be one of the most dilute superconductors, is investigated on the basis of the first-principles calculations. When the carrier density n decreases, the frequencies of the ferroelectric optical phonons near the $Γ$-point monotonically decreases in the overdoped regime with $n<10^{20}/\rm{cm}^{3}$, while unphysical imaginary phonon frequencies due to ferroelectric instabilities appear in the underdoped regime with $n>10^{20}/\rm{cm}^{3}$…

Whole lotta Canadians swallowed their boycott-the-USA principles and may currently be found in Seattle.
#mlb

"Similarities between recharging and refuelling make the switch to electric cars an easier choice"
#EV #ElectricVehicles #Cars

Similarities between recharging and refuelling make the switch to electric cars an easier choice
It’s not only the appearance of petrol stations and fuel pumps that has been imitated. The basic principles of charging and refuelling are very similar.

Transverse momentum asymmetry in the semi-inclusive electron positron annihilation process
Weihua Yang, Xing-hua Yang, Zhe Zhang, Jing Zhao
https://arxiv.org/abs/2509.14011 http…

Transverse momentum asymmetry in the semi-inclusive electron positron annihilation process
Hadronization, a non-perturbative process, cannot be calculated from first principles. It can be investigated either by phenomenological models or by examining the behavior of produced hadrons or through fragmentation functions. These fragmentation functions are non-perturbative quantities whose determination relies entirely on experimental data. However, higher-twist fragmentation functions present significant challenges for their determination due to power suppression. In this paper, we propo…

The Rapid Arrival of Josiah Willard Gibbs's Elementary Principles in Statistical Mechanics in European University Libraries
Hector Giacomini
https://arxiv.org/abs/2509.10732

The Rapid Arrival of Josiah Willard Gibbs's Elementary Principles in Statistical Mechanics in European University Libraries
This note offers an overview of how Josiah Willard Gibbs's Elementary Principles in Statistical Mechanics, published simultaneously in London and New York in 1902, spread through European university libraries. Contrary to the received idea that the circulation of this text was slow, information gathered through direct contacts with numerous academic libraries, together with an examination of Yale University's archives, reveals an unexpectedly rapid material diffusion beginning on 15 March 1902.…

Perfect fluid dark matter: a viability test with galaxy rotation curves
Jan Kuncewicz
https://arxiv.org/abs/2509.12268 https://arxiv.org/pdf/2509.12268

Perfect fluid dark matter: a viability test with galaxy rotation curves
The anomalous rotation curves of galaxies provide compelling evidence for dark matter, yet its fundamental nature and distribution remain key unresolved issues in astrophysics. In this work, we investigate a dark matter model derived from first principles within General Relativity, treating the halo as a perfect fluid with a specific anisotropic equation of state characterized by a single parameter. This framework yields two families of static, spherically symmetric solutions: a Power-Law metri…

Phonon-assisted photoluminescence of bilayer MoS$_2$ from first principles
Gyanu P. Kafle, Zhen-Fei Liu
https://arxiv.org/abs/2509.14200 https://arxiv.org/…

Phonon-assisted photoluminescence of bilayer MoS$_2$ from first principles
In indirect band gap materials, phonon-assisted processes are key mechanisms for photoluminescence (PL). Using a first-principles many-body approach, we systematically investigate the phonon-assisted PL in bilayer MoS$_2$ and its dependence on temperature and external tensile strain. The effects of phonons are accounted for using a supercell approach: we identify the phonon momenta that are important to PL, construct supercells that are commensurate with these phonons, and examine the changes i…

David Sacks says Anthropic is running a "regulatory capture strategy based on fear-mongering", responding to Anthropic co-founder Jack Clark's post on AI policy (Dave Lee/Bloomberg)

Polarized Emission of Intrabinary Shocks in Spider Pulsars from Global 3D Kinetic Simulations
Andrew G. Sullivan, Jorge Cort\'es, Lorenzo Sironi
https://arxiv.org/abs/2508.11625

Polarized Emission of Intrabinary Shocks in Spider Pulsars from Global 3D Kinetic Simulations
In spider pulsar systems, a relativistic intrabinary shock forms when the pulsar wind collides with the massive outflow driven off the pulsar's low-mass stellar companion. The shock is a site of non-thermal particle acceleration, likely via shock-driven magnetic reconnection, and produces synchrotron emission. These shocks are among the few systems in which global scales can be reasonably captured with kinetic simulations, enabling first-principles particle acceleration and emission studies. We…

Goal-Oriented Low-Rank Tensor Decompositions for Numerical Simulation Data
Daniel M. Dunlavy, Eric T. Phipps, Hemanth Kolla, John N. Shadid, Edward Phillips
https://arxiv.org/abs/2508.11139

Goal-Oriented Low-Rank Tensor Decompositions for Numerical Simulation Data
We introduce a new low-dimensional model of high-dimensional numerical simulation data based on low-rank tensor decompositions. Our new model aims to minimize differences between the model data and simulation data as well as functions of the model data and functions of the simulation data. This novel approach to dimensionality reduction of simulation data provides a means of directly incorporating quantities of interests and invariants associated with conservation principles associated with the…

MSNBC splits off from NBC News to establish its own independent newsgathering operation across the US, after more than 29 years of association with NBC News (Tom Jones/Poynter)
https://www.poynter.org/commentary/2025/msbnc-rebrand-starts-today-code-princip…

Today is MSNBC’s first day apart from NBC. Here is its new code of principles. - Poynter
The new network’s 10 core principles emphasize fairness, accuracy, transparency and firm limits on AI

Runaway electron interactions with whistler waves in tokamak plasmas: energy-dependent transport scaling
Yashika Ghai, D. Del-Castillo-Negrete, D. A. Spong, M. T. Beidler
https://arxiv.org/abs/2509.13271

Runaway electron interactions with whistler waves in tokamak plasmas: energy-dependent transport scaling
Resonant interactions between high energy runaway electrons (REs) and whistler waves are a promising mechanism for RE mitigation in tokamak plasmas. While prior studies have largely relied on quasi-linear diffusion models in simplified geometries, we present a first-principles-informed framework that models RE-whistler interactions in a 3D tokamak equilibrium. This is achieved by coupling AORSA, which computes whistler eigenmodes for a given tokamak plasma equilibrium, and KORC, a kinetic orbit…

Is Solid (the thing that Tim Berners-Lee keeps talking about) ever actually going to be a thing, or shall I keep ignoring it?
I like the principles but I cannot understand what it *is*.

Robo-Advisors Beyond Automation: Principles and Roadmap for AI-Driven Financial Planning
Runhuan Feng, Hong Li, Ming Liu
https://arxiv.org/abs/2509.09922 https://

Robo-Advisors Beyond Automation: Principles and Roadmap for AI-Driven Financial Planning
Artificial intelligence (AI) is transforming financial planning by expanding access, lowering costs, and enabling dynamic, data-driven advice. Yet without clear safeguards, digital platforms risk reproducing longstanding market inefficiencies such as information asymmetry, misaligned incentives, and systemic fragility. This paper develops a framework for responsible AI in financial planning, anchored in five principles: fiduciary duty, adaptive personalization, technical robustness, ethical and…

Theory of Spiral Magnetism in Weyl semimetal SmAlSi
Lasin Thaivalappil, Rahul Verma, Hsin Lin, Bahadur Singh, Shin-Ming Huang
https://arxiv.org/abs/2508.11244 https://

Theory of Spiral Magnetism in Weyl semimetal SmAlSi
Recent neutron scattering and thermodynamic measurements suggest that Weyl electrons in the emergent Weyl semimetal SmAlSi mediate unconventional magnetic interactions and induce spiral magnetic order. In this work, we investigate the nature of these interactions by modelling long-range $f-f$ exchange mediated by itinerant $d$ electrons via the Ruderman-Kittel-Kasuya-Yosida (RKKY) mechanism, employing a material-specific tight-binding Hamiltonian obtained from first-principles calculations. The…

From Distributional to Quantile Neural Basis Models: the case of Electricity Price Forecasting
Alessandro Brusaferri, Danial Ramin, Andrea Ballarino
https://arxiv.org/abs/2509.14113

From Distributional to Quantile Neural Basis Models: the case of Electricity Price Forecasting
While neural networks are achieving high predictive accuracy in multi-horizon probabilistic forecasting, understanding the underlying mechanisms that lead to feature-conditioned outputs remains a significant challenge for forecasters. In this work, we take a further step toward addressing this critical issue by introducing the Quantile Neural Basis Model, which incorporates the interpretability principles of Quantile Generalized Additive Models into an end-to-end neural network training framewo…

Real-time vacuum-state quantum random number generator on a chip
Guan-Ru Qiao, Bing Bai, Zi-Xuan Weng, Han-Shen Chen, Wei Zheng, Zhi-Yuan Zheng, You-Qi Nie, Jun Zhang, Jian-Wei Pan
https://arxiv.org/abs/2509.13105

Real-time vacuum-state quantum random number generator on a chip
Quantum random number generators (QRNGs) produce true random numbers, which are guaranteed by the fundamental principles of quantum physics. Miniaturization of QRNGs is crucial for a wide range of communication and cryptography applications. Here, we first report a fully functional QRNG chip based on vacuum-state fluctuations, with dimensions of 16.6 mm x 7.8 mm. The quantum entropy source, which is achieved via hybrid photonic integration with a SiO2 waveguide, generates raw quantum random num…

Lets be honest, we spend too much time cleaning data. {janitor} can help with that: #rstats #datasciece

The Adaptation Paradox: Agency vs. Mimicry in Companion Chatbots
T. James Brandt, Cecilia Xi Wang
https://arxiv.org/abs/2509.12525 https://arxiv.org/pdf/25…

The Adaptation Paradox: Agency vs. Mimicry in Companion Chatbots
Generative AI powers a growing wave of companion chatbots, yet principles for fostering genuine connection remain unsettled. We test two routes: visible user authorship versus covert language-style mimicry. In a preregistered 3x2 experiment (N = 162), we manipulated user-controlled avatar generation (none, premade, user-generated) and Language Style Matching (LSM) (static vs. adaptive). Generating an avatar boosted rapport ($ω^2$ = .040, p = .013), whereas adaptive LSM underperformed static st…

Principles Of Web Accessibility
A set of high-level guiding principles for approaching web accessibility. How to approach accessible web interface design.
– by @…
🌐 https://

GitHub - Heydon/principles-of-web-accessibility: How to approach accessible web interface design
How to approach accessible web interface design. Contribute to Heydon/principles-of-web-accessibility development by creating an account on GitHub.

Thermal Transport of GaN/Substrate Heterostructures under Non-Uniform Heat Source
Ershuai Yin, Wenzhu Luo, Lei Wang, Enjian Sun, Qiang Li
https://arxiv.org/abs/2509.12548 https:…

Thermal Transport of GaN/Substrate Heterostructures under Non-Uniform Heat Source
Heat generated in gallium nitride (GaN) high-electron-mobility transistors (HEMTs) is often concentrated in nanoscale regions and must dissipate through multiple heterostructures. However, the influence of non-uniform heat sources on the thermal transport of such heterostructures remains unclear. In this work, a thermal transport model for heterostructures under the non-uniform heat source is developed by combining first-principles calculations with Monte Carlo simulations. Temperature, heat fl…

Generative AI-Enabled Robust 6G Uplink: Principles, Challenges, and Directions
Chunmei Xu, Yi Ma, Rahim Tafazolli, Peiying Zhu
https://arxiv.org/abs/2508.09348 https://

Generative AI-Enabled Robust 6G Uplink: Principles, Challenges, and Directions
Next-generation wireless networks (6G) face a critical uplink bottleneck due to stringent device-side resource constraints and challenging channel conditions. This article introduces GenCom, a novel system-level paradigm for robust 6G uplink that leverages Generative AI and exploits the inherent resource imbalance between transmitters and receivers. In GenCom, resource-rich receivers deploy powerful offline-trained GenAI models to reconstruct high semantic-fidelity content from degraded signals…

MAGNET-KG: Maximum-Entropy Geometric Networks for Temporal Knowledge Graphs: Theoretical Foundations and Mathematical Framework
Ibne Farabi Shihab
https://arxiv.org/abs/2509.10587

MAGNET-KG: Maximum-Entropy Geometric Networks for Temporal Knowledge Graphs: Theoretical Foundations and Mathematical Framework
We present a unified theoretical framework for temporal knowledge graphs grounded in maximum-entropy principles, differential geometry, and information theory. We prove a unique characterization of scoring functions via the maximum-entropy principle and establish necessity theorems for specific geometric choices. We further provide rigorous derivations of generalization bounds with explicit constants and outline conditions under which consistency guarantees hold under temporal dependence. The f…

Today is MSNBC's first day apart from NBC. Here is its new code of principles. (Tom Jones/Poynter)
https://www.poynter.org/commentary/2025/msbnc-rebrand-starts-today-code-principles/
http://www.memeorandum.com/251006/p86#a251006p86

Principles for Environmental Justice in Technology: Toward a Regenerative Future
Sanjana Paul
https://arxiv.org/abs/2508.09007 https://arxiv.org/pdf/2508.0…

Principles for Environmental Justice in Technology: Toward a Regenerative Future
This paper introduces the Environmental Justice in Technology (EJIT) Principles, a framework to help reorient technological development toward social and ecological justice and collective flourishing. In response to prevailing models of technological innovation that prioritize speed, scale, and profit while neglecting systemic injustice, the EJIT principles offer an alternative: a set of guiding values that foreground interdependence, repair, and community self-determination. Drawing inspiratio…

WaterFlow: Explicit Physics-Prior Rectified Flow for Underwater Saliency Mask Generation
Runting Li, Shijie Lian, Hua Li, Yutong Li, Wenhui Wu, Sam Kwong
https://arxiv.org/abs/2510.12605

WaterFlow: Explicit Physics-Prior Rectified Flow for Underwater Saliency Mask Generation
Underwater Salient Object Detection (USOD) faces significant challenges, including underwater image quality degradation and domain gaps. Existing methods tend to ignore the physical principles of underwater imaging or simply treat degradation phenomena in underwater images as interference factors that must be eliminated, failing to fully exploit the valuable information they contain. We propose WaterFlow, a rectified flow-based framework for underwater salient object detection that innovatively…

I read 'The Public Interest Corpus Update – NYC Edition'. More work on the project's principles and goals, research and library service use cases, and thinking ahead to prospective year 1-3 and year 4-6 activities https://publicinterestcorpus.org/the-p

Strain-tuned magnetoelectric properties of monolayer NiX$_2$ (X = I, Br): a first-principles analysis
Ali Ghojavand, Cem Sevik, Milorad V. Milo\v{s}evi\'c
https://arxiv.org/abs/2509.13182

Strain-tuned magnetoelectric properties of monolayer NiX$_2$ (X = I, Br): a first-principles analysis
Using \textit{ab initio} methodology, we reveal a strain-mediated approach to precisely tune the magnetoelectric coupling and spin-driven emergent polarization of NiX$_2$ (X = I, Br) monolayers. In the absence of strain, these systems spontaneously stabilize non-collinear spin states that break the inversion symmetry, inducing a ferroelectric polarization in the plane of the material. We show that biaxial and uniaxial strains broadly modulate the magnetoelectric response in these materials thro…

It's a classical case of gaslighting. The stuff that Trump and Musk are saying is so outrageous, so extreme, so untrue, that I can't believe that I'm hearing it. Its sheer madness leaves me a bit disorientated, at a time when it's never been more important to resist and reiterate moral principles.

Fostering cultural change in research through innovative knowledge sharing, evaluation, and community engagement strategies
Junsuk Rho, Jinn-Kong Sheu, Andrew Forbes, Din Ping Tsai, Andrea Al\'u, Wei Li, Mark Brongersma, Joonhee Choi, Javier Garcia de Abajo, Laura Na Liu, Alexander Szameit, Tracy Schloemer, Andreas Tittl, Mario Chemnitz, Cheng Wang, Jiejun Zhang, Yuri Kivshar, Tie Jun Cui, Ren-Min Ma, Cheng-Wei Qiu, Cuicui Lu, Yao-Wei Huang, Miguel Angel Solis Prosser, Ileana-Crist…

Fostering cultural change in research through innovative knowledge sharing, evaluation, and community engagement strategies
Scientific research needs a new system that appropriately values science and scientists. Key innovations, within institutions and funding agencies, are driving better assessment of research, with open knowledge and FAIR (findable, accessible, interoperable, and reusable) principles as central pillars. Furthermore, coalitions, agreements, and robust infrastructures have emerged to promote more accurate assessment metrics and efficient knowledge sharing. However, despite these efforts, the system…

Toward Needs-Conscious Design: Co-Designing a Human-Centered Framework for AI-Mediated Communication
Robert Wolfe, Aayushi Dangol, JaeWon Kim, Alexis Hiniker
https://arxiv.org/abs/2508.11149

Toward Needs-Conscious Design: Co-Designing a Human-Centered Framework for AI-Mediated Communication
We introduce Needs-Conscious Design, a human-centered framework for AI-mediated communication that builds on the principles of Nonviolent Communication (NVC). We conducted an interview study with N=14 certified NVC trainers and a diary study and co-design with N=13 lay users of online communication technologies to understand how NVC might inform design that centers human relationships. We define three pillars of Needs-Conscious Design: Intentionality, Presence, and Receptiveness to Needs. Drawi…

Ultra Ethernet's Design Principles and Architectural Innovations
Torsten Hoefler, Karen Schramm, Eric Spada, Keith Underwood, Cedell Alexander, Bob Alverson, Paul Bottorff, Adrian Caulfield, Mark Handley, Cathy Huang, Costin Raiciu, Abdul Kabbani, Eugene Opsasnick, Rong Pan, Adee Ran, Rip Sohan
https://arxiv.org/abs/2508.08906

Ultra Ethernet's Design Principles and Architectural Innovations
The recently released Ultra Ethernet (UE) 1.0 specification defines a transformative High-Performance Ethernet standard for future Artificial Intelligence (AI) and High-Performance Computing (HPC) systems. This paper, written by the specification's authors, provides a high-level overview of UE's design, offering crucial motivations and scientific context to understand its innovations. While UE introduces advancements across the entire Ethernet stack, its standout contribution is the novel Ultra…

Robot Learning: A Tutorial
Francesco Capuano, Caroline Pascal, Adil Zouitine, Thomas Wolf, Michel Aractingi
https://arxiv.org/abs/2510.12403 https://arxiv.…

Robot Learning: A Tutorial
Robot learning is at an inflection point, driven by rapid advancements in machine learning and the growing availability of large-scale robotics data. This shift from classical, model-based methods to data-driven, learning-based paradigms is unlocking unprecedented capabilities in autonomous systems. This tutorial navigates the landscape of modern robot learning, charting a course from the foundational principles of Reinforcement Learning and Behavioral Cloning to generalist, language-conditione…

Petition of Right, (1628)
was a petition sent by the English Parliament to King Charles I,
complaining of a series of breaches of law.
The petition sought recognition of four principles:
🔸no taxation without the consent of Parliament,
🔸no imprisonment without cause,
🔸no quartering of soldiers on subjects,
🔸and no martial law in peacetime.
After dismissing his second Parliament,
Charles imposed a "forced loan", an effective tax wh…

Towards Engineering Multi-Agent LLMs: A Protocol-Driven Approach
Zhenyu Mao, Jacky Keung, Fengji Zhang, Shuo Liu, Yifei Wang, Jialong Li
https://arxiv.org/abs/2510.12120 https:/…

Towards Engineering Multi-Agent LLMs: A Protocol-Driven Approach
The increasing demand for software development has driven interest in automating software engineering (SE) tasks using Large Language Models (LLMs). Recent efforts extend LLMs into multi-agent systems (MAS) that emulate collaborative development workflows, but these systems often fail due to three core deficiencies: under-specification, coordination misalignment, and inappropriate verification, arising from the absence of foundational SE structuring principles. This paper introduces Software En…

Modes of Mechanical Guidance of Adhesion-Independent Cell Migration
Hanna Luise Gertack, Peter A. E. Hampshire, Claudia Wohlgemuth, Ricard Alert, Sebastian Aland
https://arxiv.org/abs/2509.11801

Modes of Mechanical Guidance of Adhesion-Independent Cell Migration
Adhesion-independent migration is a prominent mode of cell motility in confined environments, yet the physical principles that guide such movement remain incompletely understood. We present a phase-field model for simulating the motility of deformable, non-adherent cells driven by contractile surface instabilities of the cell cortex. This model couples surface and bulk hydrodynamics, accommodates large shape deformations and incorporates a diffusible contraction-generating molecule (myosin) tha…

Bayesian Prior Construction for Uncertainty Quantification in First-Principles Statistical Mechanics
Derick E. Ober, Sesha Sai Behara, Anton Van der Ven
https://arxiv.org/abs/2509.07326

Bayesian Prior Construction for Uncertainty Quantification in First-Principles Statistical Mechanics
First-principles statistical mechanics enables the prediction of thermodynamic and kinetic properties of materials, but is computationally expensive. Many approaches require surrogate models to calculate energies within Monte Carlo or molecular dynamics simulations. Inexpensive surrogates such as cluster expansions enable otherwise intractable calculations by interpolating data from higher accuracy methods, such as Density Functional Theory (DFT). Surrogate models introduce uncertainty into dow…

Phase stability and structural properties of the K$_{x}$Ca$_{1-x}$N novel ferromagnetic alloy from first-principles
K. Larbaoui, A. Lakdja, G. Bassou
https://arxiv.org/abs/2509.13728

Phase stability and structural properties of the K$_{x}$Ca$_{1-x}$N novel ferromagnetic alloy from first-principles
We study the structural properties and phase stability of the K$_{x}$Ca$_{1-x}$N alloy using the regular-solution model based on the total energy of the mixing. The pseudopotential approach was used along with PBE functional of Perdew, Burke, and Ernzerhof (PBE). We investigated the bond-lengths distribution as a function of composition $x$. We also predicted the phase separation of the two partially miscible components and calculated the enthalpy $ΔH$ using the interaction parameter $Ω$. We …

Neuromorphic Intelligence
Marcel van Gerven
https://arxiv.org/abs/2509.11940 https://arxiv.org/pdf/2509.11940

Neuromorphic Intelligence
Neuromorphic computing seeks to replicate the remarkable efficiency, flexibility, and adaptability of the human brain in artificial systems. Unlike conventional digital approaches, which depend on massive computational and energy resources, neuromorphic systems exploit brain-inspired principles of computation to achieve orders of magnitude greater energy efficiency. By drawing on insights from artificial intelligence, neuroscience, physics, chemistry, and materials science, neuromorphic computi…

Abstraction Principles and the Size of Reality
Bokai Yao
https://arxiv.org/abs/2508.21105 https://arxiv.org/pdf/2508.21105…

Abstraction Principles and the Size of Reality
The Fregean ontology can be naturally interpreted within set theory with urelements, where objects correspond to sets and urelements, and concepts to classes. Consequently, Fregean abstraction principles can be formulated as set-theoretic principles. We investigate how the size of reality-i.e., the number of urelements-interacts with these principles. We show that Basic Law V implies that for some well-ordered cardinal $κ$, there is no set of urelements of size $κ$. Building on recent work by…

“Israeli Security Cabinet approves PM Netanyahu's plan to occupy Gaza City”
https://www.jpost.com/israel-news/article-863628
Fuck these people, man. Genocidal assholes. I don’t know what else to say. Does it even matter what we say? The fuckers are going to do whatever …

Revisiting the City Tower Project: Geometric Principles and Structural Morphology in the Works of Louis I. Kahn and Anne Tyng
Aysan Mokhtarimousavi, Michael Kleiss, Mostafa Alani, Sida Dai
https://arxiv.org/abs/2508.08561

Revisiting the City Tower Project: Geometric Principles and Structural Morphology in the Works of Louis I. Kahn and Anne Tyng
This paper presents a study of computation and morphology of Louis Kahn City Tower project. The City Tower is an unbuilt design by Louis I. Kahn and Anne Tyng that integrates form and structure using 3D space triangular geometries. Although never built, the City Tower geometrical framework anticipated later developments in design of space-frame structures. Initially envisioned in the 1950s, the City Tower project is a skyscraper structure based on a tetrahedral and octahedral space frame called…

Axial Hall Effect in Altermagnetic Lieb Lattices
Xilong Xu, Haonan Wang, Li Yang
https://arxiv.org/abs/2509.13554 https://arxiv.org/pdf/2509.13554

Axial Hall Effect in Altermagnetic Lieb Lattices
We predict a so-called axial Hall effect, a Berry-curvature-driven anomalous Hall response, in Lieb-lattice altermagnets. By constructing a tight-binding model, we identify the axial direction as a hidden topological degree of freedom. Breaking the double degeneracy of axial symmetry generates substantial Berry curvature and induces a pronounced anomalous Hall conductivity. First-principles calculations further confirm the emergence of this effect in strained altermagnets, particularly in terna…

Putin says he will stick to 'principles' discussed with Trump in talks on Ukraine: https://benborges.xyz/2025/10/10/putin-says-he-will-stick.html

Machines are more productive than humans until they aren't, and vice versa
Riccardo Zanardelli
https://arxiv.org/abs/2509.14057 https://arxiv.org/pdf/2…

Machines are more productive than humans until they aren't, and vice versa
With the growth of artificial skills, organizations may increasingly confront with the problem of optimizing skill policy decisions guided by economic principles. This paper addresses the underlying complexity of this challenge by developing an in-silico framework based on Monte Carlo simulations grounded in empirical realism to analyze the economic impact of human and machine skills, individually or jointly deployed, in the execution of tasks presenting varying levels of complexity. Our result…

Thermal and Electrical Conductivities of Aluminum Up to 1000 eV: A First-Principles Prediction
Qianrui Liu, Xiantu He, Mohan Chen
https://arxiv.org/abs/2510.10112 https://

Thermal and Electrical Conductivities of Aluminum Up to 1000 eV: A First-Principles Prediction
Accurate prediction of the thermal and electrical conductivities of materials under extremely high temperatures is essential in high-energy-density physics. These properties govern processes such as stellar core dynamics, planetary magnetic field generation, and laser-driven plasma evolution. However, first-principles methods like Kohn-Sham (KS) density functional theory (DFT) face challenges in predicting these properties due to prohibitively high computational costs. We propose a scheme that …

Loss Behavior in Supervised Learning with Entangled States
Alexander Mandl, Johanna Barzen, Marvin Bechtold, Frank Leymann, Lavinia Stiliadou
https://arxiv.org/abs/2509.10141 ht…

Loss Behavior in Supervised Learning with Entangled States
Quantum Machine Learning (QML) aims to leverage the principles of quantum mechanics to speed up the process of solving machine learning problems or improve the quality of solutions. Among these principles, entanglement with an auxiliary system was shown to increase the quality of QML models in applications such as supervised learning. Recent works focus on the information that can be extracted from entangled training samples and their effect on the approximation error of the trained model. Howe…

Rule-Based Moral Principles for Explaining Uncertainty in Natural Language Generation
Zahra Atf, Peter R Lewis
https://arxiv.org/abs/2509.07190 https://arx…

Rule-Based Moral Principles for Explaining Uncertainty in Natural Language Generation
Large language models (LLMs) are increasingly used in high-stakes settings, where explaining uncertainty is both technical and ethical. Probabilistic methods are often opaque and misaligned with expectations of transparency. We propose a framework based on rule-based moral principles for handling uncertainty in LLM-generated text. Using insights from moral psychology and virtue ethics, we define rules such as precaution, deference, and responsibility to guide responses under epistemic or aleato…

HTML is Dead, Long Live HTML
Rethinking DOM from first principles
Cover Image: Browsers are in a very weird place. While WebAssembly has succeeded, even on the server, the client still feels largely the same as it did 10 years ago.
🌐 https://acko.net/blog/html-is-dead-long-live…

HTML is Dead, Long Live HTML
Rethinking DOM from first principles

Design Principles for Sequence Models via Coefficient Dynamics
Jerome Sieber, Antonio Orvieto, Melanie N. Zeilinger, Carmen Amo Alonso
https://arxiv.org/abs/2510.09389 https://

Design Principles for Sequence Models via Coefficient Dynamics
Deep sequence models, ranging from Transformers and State Space Models (SSMs) to more recent approaches such as gated linear RNNs, fundamentally compute outputs as linear combinations of past value vectors. To draw insights and systematically compare such architectures, we develop a unified framework that makes this output operation explicit, by casting the linear combination coefficients as the outputs of autonomous linear dynamical systems driven by impulse inputs. This viewpoint, in spirit s…

Signatures of Chiral Phonons in MnPS$_3$ from first principles
Banhi Chatterjee, Peter Kratzer
https://arxiv.org/abs/2509.11879 https://arxiv.org/pdf/2509.…

Signatures of Chiral Phonons in MnPS$_3$ from first principles
Two-dimensional (2D) materials may host circular phonons, considered as chiral if the presence of a substrate breaks mirror symmetry. In 2D transition metal dichalcogenide (TMDC) monolayers lacking inversion symmetry, phonons with a given chirality can be observed in the non-equilibrium state triggered by optical excitations using circularly polarized light. Backed by first-principles calculations, we present the antiferromagnetic semiconductor MnPS$_3$ with a hexagonal crystal structure and ba…

A five-layer framework for AI governance: integrating regulation, standards, and certification
Avinash Agarwal, Manisha J. Nene
https://arxiv.org/abs/2509.11332 https://

A five-layer framework for AI governance: integrating regulation, standards, and certification
Purpose: The governance of artificial iintelligence (AI) systems requires a structured approach that connects high-level regulatory principles with practical implementation. Existing frameworks lack clarity on how regulations translate into conformity mechanisms, leading to gaps in compliance and enforcement. This paper addresses this critical gap in AI governance. Methodology/Approach: A five-layer AI governance framework is proposed, spanning from broad regulatory mandates to specific stand…

Do Ethical AI Principles Matter to Users? A Large-Scale Analysis of User Sentiment and Satisfaction
Stefan Pasch, Min Chul Cha
https://arxiv.org/abs/2508.05913 https://

Do Ethical AI Principles Matter to Users? A Large-Scale Analysis of User Sentiment and Satisfaction
As AI systems become increasingly embedded in organizational workflows and consumer applications, ethical principles such as fairness, transparency, and robustness have been widely endorsed in policy and industry guidelines. However, there is still scarce empirical evidence on whether these principles are recognized, valued, or impactful from the perspective of users. This study investigates the link between ethical AI and user satisfaction by analyzing over 100,000 user reviews of AI products …

Advancing the Control of Low-Altitude Wireless Networks: Architecture, Design Principles, and Future Directions
Haijia Jin, Weijie Yuan, Jun Wu, Jiacheng Wang, Dusit Niyato, Xianbin Wang, George K. Karagiannidis, Zhiyun Lin, Yi Gong, Dong In Kim, Athina Petropulu, Maria Sabrina Greco, Abbas Jamalipour, Sumei Sun
https://arxiv.org/abs/2508.…

Advancing the Control of Low-Altitude Wireless Networks: Architecture, Design Principles, and Future Directions
This article introduces a control-oriented low-altitude wireless network (LAWN) that integrates near-ground communications and remote estimation of the internal system state. This integration supports reliable networked control in dynamic aerial-ground environments. First, we introduce the network's modular architecture and key performance metrics. Then, we discuss core design trade-offs across the control, communication, and estimation layers. A case study illustrates closed-loop coordination …

Are We SOLID Yet? An Empirical Study on Prompting LLMs to Detect Design Principle Violations
Fatih Pehlivan, Ar\c{c}in \"Ulk\"u Erg\"uzen, Sahand Moslemi Yengejeh, Mayasah Lami, Anil Koyuncu
https://arxiv.org/abs/2509.03093

Are We SOLID Yet? An Empirical Study on Prompting LLMs to Detect Design Principle Violations
Traditional static analysis methods struggle to detect semantic design flaws, such as violations of the SOLID principles, which require a strong understanding of object-oriented design patterns and principles. Existing solutions typically focus on individual SOLID principles or specific programming languages, leaving a gap in the ability to detect violations across all five principles in multi-language codebases. This paper presents a new approach: a methodology that leverages tailored prompt e…

Investigating the Lottery Ticket Hypothesis for Variational Quantum Circuits
Michael K\"olle, Leonhard Klingert, Julian Sch\"onberger, Philipp Altmann, Tobias Rohe, Claudia Linnhoff-Popien
https://arxiv.org/abs/2509.11190

Investigating the Lottery Ticket Hypothesis for Variational Quantum Circuits
Quantum computing is an emerging field in computer science that has seen considerable progress in recent years, especially in machine learning. By harnessing the principles of quantum physics, it can surpass the limitations of classical algorithms. However, variational quantum circuits (VQCs), which rely on adjustable parameters, often face the barren plateau phenomenon, hindering optimization. The Lottery Ticket Hypothesis (LTH) is a recent concept in classical machine learning that has led to…

Fine-grained Analysis of Brain-LLM Alignment through Input Attribution
Michela Proietti, Roberto Capobianco, Mariya Toneva
https://arxiv.org/abs/2510.12355 https://

Fine-grained Analysis of Brain-LLM Alignment through Input Attribution
Understanding the alignment between large language models (LLMs) and human brain activity can reveal computational principles underlying language processing. We introduce a fine-grained input attribution method to identify the specific words most important for brain-LLM alignment, and leverage it to study a contentious research question about brain-LLM alignment: the relationship between brain alignment (BA) and next-word prediction (NWP). Our findings reveal that BA and NWP rely on largely dis…

Non-Hermitian Bethe-Salpeter Equation for Open Systems: Emergence of Exceptional Points in Excitonic Spectra from First Principles
Zhenlin Zhang, Wei Hu, Enrico Perfetto, Gianluca Stefanucci
https://arxiv.org/abs/2510.09386

Non-Hermitian Bethe-Salpeter Equation for Open Systems: Emergence of Exceptional Points in Excitonic Spectra from First Principles
In open quantum systems hosting excitons, dissipation mechanisms critically shape the excitonic dynamics, band-structure and topological properties. A microscopic understanding of excitons in such non-Hermitian settings demands a first-principles generalization of the Bethe-Salpeter equation (BSE). Building on a recently introduced nonequilibrium Green's function formalism compatible with Lindbladian dynamics, we derive a non-Hermitian BSE from diagrammatic perturbation theory on the Keldysh co…

Agentic AI Frameworks: Architectures, Protocols, and Design Challenges
Hana Derouiche, Zaki Brahmi, Haithem Mazeni
https://arxiv.org/abs/2508.10146 https://

Agentic AI Frameworks: Architectures, Protocols, and Design Challenges
The emergence of Large Language Models (LLMs) has ushered in a transformative paradigm in artificial intelligence, Agentic AI, where intelligent agents exhibit goal-directed autonomy, contextual reasoning, and dynamic multi-agent coordination. This paper provides a systematic review and comparative analysis of leading Agentic AI frameworks, including CrewAI, LangGraph, AutoGen, Semantic Kernel, Agno, Google ADK, and MetaGPT, evaluating their architectural principles, communication mechanisms, m…

Principles of Safe AI Companions for Youth: Parent and Expert Perspectives
Yaman Yu, Mohi, Aishi Debroy, Xin Cao, Karen Rudolph, Yang Wang
https://arxiv.org/abs/2510.11185 http…

Principles of Safe AI Companions for Youth: Parent and Expert Perspectives
AI companions are increasingly popular among teenagers, yet current platforms lack safeguards to address developmental risks and harmful normalization. Despite growing concerns, little is known about how parents and developmental psychology experts assess these interactions or what protections they consider necessary. We conducted 26 semi structured interviews with parents and experts, who reviewed real world youth GenAI companion conversation snippets. We found that stakeholders assessed risks…

Machine Unlearning for Responsible and Adaptive AI in Education
Betty Mayeku, Sandra Hummel, Parisa Memarmoshrefi
https://arxiv.org/abs/2509.10590 https://…

Machine Unlearning for Responsible and Adaptive AI in Education
The concept of Machine Unlearning (MU) has gained popularity in various domains due to its ability to address several issues in Machine Learning (ML) models, particularly those related to privacy, security, bias mitigation, and adaptability. With these abilities, MU is evolving into a promising technology in upholding Responsible AI principles and optimizing ML models' performance. However, despite its promising potential, the concept has not received much attention in the education sector. In …

Tuning the Magnetic Anisotropy Energy of MoS$_2$-supported Mn$_{12}$ complexes by Electric Field: A First-Principles Study
Shuanglong Liu, Adam V. Bruce, Dmitry Skachkov, James N. Fry, Hai-Ping Cheng
https://arxiv.org/abs/2509.12020

Tuning the Magnetic Anisotropy Energy of MoS$_2$-supported Mn$_{12}$ complexes by Electric Field: A First-Principles Study
In this work, we examine low-energy adsorption configurations of four dodecanuclear manganese single-molecule magnets [Mn$_{12}$O$_{12}$(O$_2$CR)$_{16}$(H$_2$O)$_4$] (Mn$_{12}$), where the ligand R being H, CH$_3$, CHCl$_2$ or C$_6$H$_5$, on a molybdenum disulfide (MoS$_2$) monolayer using force field and density functional theory calculations. The van der Waals interaction is shown to be crucial for determining the adsorption energy. Some electrons transfer from the substrate to the molecules …

Pristine and transition metal doped 2D AlSb as high performance electrocatalyst for selective CO2 reduction: A first-principles study
Md. Mostaqul Islam, Ahmed Zubair
https://arxiv.org/abs/2509.11325

Pristine and transition metal doped 2D AlSb as high performance electrocatalyst for selective CO2 reduction: A first-principles study
Electrochemical CO2 reduction reaction (CO2RR) using 2D nanomaterials has emerged as a sophisticated approach to mitigate industrial CO2 emissions. In this work, the potential application of pristine as well as strategically Fe, Co, Ni-doped 2D AlSb was examined as a CO2RR electrocatalyst. The recation pathways of CO2RR intermediate complexes, overpotential, stability, efficiency, and selectivity were studied using density functional theory (DFT). Outstanding overpotentials were achieved with p…

Language Models Model Language
{\L}ukasz Borchmann
https://arxiv.org/abs/2510.12766 https://arxiv.org/pdf/2510.12766

Language Models Model Language
Linguistic commentary on LLMs, heavily influenced by the theoretical frameworks of de Saussure and Chomsky, is often speculative and unproductive. Critics challenge whether LLMs can legitimately model language, citing the need for "deep structure" or "grounding" to achieve an idealized linguistic "competence." We argue for a radical shift in perspective towards the empiricist principles of Witold Mańczak, a prominent general and historical linguist. He defines language not as a "system of sign…

Magnetism Induced by Azanide and Ammonia Adsorption in Defective Molybdenum Disulfide and Diselenide: A First-Principles Study
Guilherme S. L. Fabris, Bruno Ipaves, Raphael B. Oliveira, Humberto R. Gutierrez, Marcelo L. Pereira Junior, Douglas S. Galv\~ao
https://arxiv.org/abs/2509.10207

Magnetism Induced by Azanide and Ammonia Adsorption in Defective Molybdenum Disulfide and Diselenide: A First-Principles Study
Two-dimensional (2D) transition metal dichalcogenides (TMDs) have attracted considerable attention due to their tunable structural, electronic, and spin-related properties, particularly in the presence of point defects and molecular adsorbates. Motivated by these aspects, we have investigated using first-principles methods the magnetic properties induced by azanide (NH$_2$) and ammonia (NH$_3$) adsorption on defective monolayers of Molybdenum Disulfide (MoS$_2$) and Diselenide(MoSe$_2$). Spin-p…

Exchange and spin-orbit proximity driven topological and transport phenomena in twisted graphene/CrI$_3$ heterostructures
M. Jafari, M. Gmitra, A. Dyrda{\l}
https://arxiv.org/abs/2509.11670

Exchange and spin-orbit proximity driven topological and transport phenomena in twisted graphene/CrI$_3$ heterostructures
We present results of comprehensive first-principles and kp-method studies of electronic, magnetic, and topological properties of graphene on a monolayer of CrI$_3$. First, we identify a twist angle between the graphene and CrI$_3$, that positions the graphene Dirac cones within the bandgap of CrI$_3$. Then, we derive the low-energy effective Hamiltonian describing electronic properties of graphene Dirac cones. Subsequently, we examine anomalous and valley Hall conductivity and discuss possible…

Enhanced multiphoton ionization driven by quantum light
Valeriia P. Kosheleva, Shahram Panahiyan, Angel Rubio, Frank Schlawin
https://arxiv.org/abs/2508.10560 https://

Enhanced multiphoton ionization driven by quantum light
Recent advances in nanoscale and microscale photon-pair sources have enabled quantum-light-matter interactions in regimes where standard approximations, such as the paraxial limit, break down. Identifying quantum advantages in these domains requires a unified, first-principles framework that treats arbitrary quantum states of light and realistic material systems without restrictive assumptions. Here, we present a fully relativistic, beyond-paraxial theory of multiphoton ionization driven by qua…

Enhanced anomalous Hall conductivity via Ga doping in Mn\textsubscript{3}Sn and Mn\textsubscript{3}Ge
Chenyue Wen, Danrong Xiong, Chengyi Yang, Dapeng Zhu, Weisheng Zhao
https://arxiv.org/abs/2508.11321

Enhanced anomalous Hall conductivity via Ga doping in Mn\textsubscript{3}Sn and Mn\textsubscript{3}Ge
This study examines the anomalous Hall effect (AHE) in the Heusler series \ce{Mn3Z} (Z=Ga, Ge, Sn), with a particular emphasis on the manipulation of non-collinear antiferromagnetic structures to enhance AHE. By employing density-functional theory and first-principles calculations, we demonstrate that the anomalous Hall conductivity is markedly responsive to electron filling. By strategically doping Ga into \ce{Mn3Sn} and \ce{Mn3Ge} in order to modulate the electron density, a significant incre…

Origin of Reverse Size Effect in Ferroelectric Hafnia Thin Films
Tianyuan Zhu, Shi Liu
https://arxiv.org/abs/2509.12952 https://arxiv.org/pdf/2509.12952

Origin of Reverse Size Effect in Ferroelectric Hafnia Thin Films
The persistence of ferroelectricity in ultrathin HfO$_2$ films challenges conventional theories, particularly given the paradoxical observation that the out-of-plane lattice spacing increases with decreasing thickness. We resolve this puzzle by revealing that this anomalous lattice expansion is counterintuitively coupled to suppressed out-of-plane polarization. First-principles calculations combined with analytical modeling identify two mechanisms behind this expansion: a negative longitudinal …

Demystifying Reinforcement Learning in Agentic Reasoning
Zhaochen Yu, Ling Yang, Jiaru Zou, Shuicheng Yan, Mengdi Wang
https://arxiv.org/abs/2510.11701 https://

Demystifying Reinforcement Learning in Agentic Reasoning
Recently, the emergence of agentic RL has showcased that RL could also effectively improve the agentic reasoning ability of LLMs, yet the key design principles and optimal practices remain unclear. In this work, we conduct a comprehensive and systematic investigation to demystify reinforcement learning in agentic reasoning from three key perspectives: data, algorithm, and reasoning mode. We highlight our key insights: (i) Replacing stitched synthetic trajectories with real end-to-end tool-use t…

A new skyrmion topological transition driven by higher-order exchange interactions in Janus MnSeTe
Megha Arya, Moritz A. Goerzen, Lionel Calmels, R\'emi Arras, Soumyajyoti Haldar, Stefan Heinze, Dongzhe Li
https://arxiv.org/abs/2509.10661

A new skyrmion topological transition driven by higher-order exchange interactions in Janus MnSeTe
Two-dimensional (2D) van der Waals magnets offer a promising platform for pushing skyrmion technology to the single-layer limit with high tunability. While Dzyaloshinskii-Moriya interaction (DMI) is often recognized as central to skyrmion formation, their stability, collapse, and topological transition in 2D materials remain largely unexplored. In particular, the effect of higher-order exchange interactions (HOI) on these phenomena is unknown. Here, using first-principles calculations and atomi…

Understanding oxide surface stability: Theoretical insights from silver chromate
Augusto Facundes, Thiago T. Dorini, Theodora W. von Zuben, Miguel A. San-Miguel
https://arxiv.org/abs/2509.13155

Understanding oxide surface stability: Theoretical insights from silver chromate
Silver chromate ($\mathrm{Ag_{2}CrO_{4}}$) has attracted considerable attention in recent years due to its promising photocatalytic performance, which strongly depends on the crystallographic orientation of its exposed surfaces. A detailed understanding of the structural stability of these surfaces under realistic conditions is therefore essential for advancing its applications. In this work, we combine density functional theory (DFT) with first-principles atomistic thermodynamics to systematic…

Towards Postmortem Data Management Principles for Generative AI
Ismat Jarin, Elina Van Kempen, Chloe Georgiou
https://arxiv.org/abs/2509.07375 https://arxi…

Towards Postmortem Data Management Principles for Generative AI
Foundation models, large language models (LLMs), and agentic AI systems rely heavily on vast corpora of user data. The use of such data for training has raised persistent concerns around ownership, copyright, and potential harms. In this work, we explore a related but less examined dimension: the ownership rights of data belonging to deceased individuals. We examine the current landscape of post-mortem data management and privacy rights as defined by the privacy policies of major technology com…

Who Decides How Knowing Becomes Doing? Redistributing Authority in Human-AI Music Co-Creation
Zhejing Hu, Yan Liu, Zhi Zhang, Gong Chen, Bruce X. B. Yu, Jiannong Cao
https://arxiv.org/abs/2509.10331

Who Decides How Knowing Becomes Doing? Redistributing Authority in Human-AI Music Co-Creation
In the era of human-AI co-creation, the maxim "knowing is easy, doing is hard" is redefined. AI has the potential to ease execution, yet the essence of "hard" lies in who governs the translation from knowing to doing. Mainstream tools often centralize interpretive authority and homogenize expression, suppressing marginal voices. To address these challenges, we introduce the first systematic framework for redistributing authority in the knowing-doing cycle, built on three principles, namely cont…

Tunable optical emissions of Eu3 ions enabled by pressure-driven phase transition in ZnO
C. Ianhez-Pereira, U. F. Kaneko, A. D. Rodrigues, I. S. S. de Oliveira, M. P. F. de Godoy
https://arxiv.org/abs/2508.10953

Tunable optical emissions of Eu3+ ions enabled by pressure-driven phase transition in ZnO
Controlling the optical properties of rare-earth ions in wide-bandgap semiconductors remains a major challenge in the development of next-generation photonic materials. Here, we show that external hydrostatic pressure modulates the structural characteristics of ZnO thin films and, in turn, tunes the optical emission behavior of embedded Eu3+ ions. By combining in situ synchrotron X-ray diffraction and photoluminescence spectroscopy under high-pressure conditions with first-principles calculatio…

$\beta$-Ga$_2$O$_3$(001) surface reconstructions from first principles and experiment
Konstantin Lion, Piero Mazzolini, Kingsley Egbo, Toni Markurt, Oliver Bierwagen, Martin Albrecht, Claudia Draxl
https://arxiv.org/abs/2510.09233

$β$-Ga$_2$O$_3$(001) surface reconstructions from first principles and experiment
We present a comprehensive investigation of reconstructions on $β$-Ga$_2$O$_3$(001) combining first-principles calculations with experimental observations. Using {\it ab initio} atomistic thermodynamics and replica-exchange grand-canonical molecular dynamics simulations, we explore the configurational space of possible reconstructions under varying chemical potentials of oxygen and gallium. Our calculations reveal several stable surface reconstructions, most notably a previously unreported 1$\…

The alloying of first-principles calculations with quasiparticle methodologies for the converged solution of the quantum many-electron states in the correlated compound Iron monoxide
Suvadip Das
https://arxiv.org/abs/2508.08941

The alloying of first-principles calculations with quasiparticle methodologies for the converged solution of the quantum many-electron states in the correlated compound Iron monoxide
Transition metal oxides belong to a genre of quantum materials essential for the exploration of theoretical methods for quantifying electronic correlation. Finding an efficient and accurate first principles method for the assertion of such physical properties is momentous for the predictive modelling of physics based thermoelectric and photovoltaic devices. Prior investigations have suggested that incorporation of the so called random phase approximation for the electronic screening interaction…

Insights into the OER, ORR, and HER Activity of a New MXene-Family SnSiGeN4 Photocatalyst for Water Splitting: A First-Principles Study
Chhatra Bahadur Subba, Bhanu Chettri, Amel Laref, Zeesham Abbas, Amna Parveen, Dibya Prakash Rai, Zaithanzauva Pachuau
https://arxiv.org/abs/2510.09538

Insights into the OER, ORR, and HER Activity of a New MXene-Family SnSiGeN4 Photocatalyst for Water Splitting: A First-Principles Study
The development of efficient and cost-effective catalysts for clean energy conversion remains a central challenge in materials science. Although platinum serves as the benchmark catalyst, its scarcity and high cost hinder large-scale deployment. In this study, we propose a newly predicted SnSiGeN4 MXene-family monolayer as a promising candidate for the oxygen evolution reaction (OER), oxygen reduction reaction (ORR), and hydrogen evolution reaction (HER). Using first-principles calculations, we…

Thermoelectric Properties of Copper-based Chalcopyrite Semiconductors Cu$MX_2$ ($M$ = Al, Ga, and In; $X$ = S, Se, and Te) from First-Principles Calculations
Wu Xiong, Zhonghao Xia, Zhongjuan Han, Dong Yao, Jiangang He
https://arxiv.org/abs/2508.08988

Thermoelectric Properties of Copper-based Chalcopyrite Semiconductors Cu$MX_2$ ($M$ = Al, Ga, and In; $X$ = S, Se, and Te) from First-Principles Calculations
Copper-based chalcopyrite semiconductors have attracted sustained interest owing to their promising thermoelectric (TE) performance, yet the microscopic origins of their TE behavior remain incompletely understood. Here, we systematically investigate the TE properties of Cu$MX_2$ ($M=$ Al, Ga, and In; $X=$ S, Se, and Te) using first-principles calculations. For $p$-type doping, the calculated electrical conductivities ($σ$), hole mobilities ($μ$), Seebeck coefficients ($S$), and power factors …

Electroluminescence of NV Color Centers in Diamond p-i-n Diodes mediated by Charge-state Dynamics
Ruirong Bai, Menglin Huang, Shanshan Wang, Shiyou Chen, Yu-Ning Wu
https://arxiv.org/abs/2509.10904

Electroluminescence of NV Color Centers in Diamond p-i-n Diodes mediated by Charge-state Dynamics
As the electroluminescence (EL) of NV color centers in diamond has been realized in p-i-n diodes,the underlying mechanism remains a puzzle for longer than a decade. In this study,using first-principles approaches,the electronic configurations and the possible transitions are comprehensively investigated. Based on the calculated carrier cross sections and transition rates,the mechanism of the EL of NV centers and the charge-state dynamics are revealed. The continuous EL is maintained by the cycl…

Electronic transport and Fermi surface of Weyl semimetal WTe2: quantum oscillations and first-principles study
B. M. Fominykh, A. N. Perevalova, S. T. Baidak, A. V. Lukoyanov, S. V. Naumov, E. B. Marchenkova, V. V. Marchenkov
https://arxiv.org/abs/2508.08419

Electronic transport and Fermi surface of Weyl semimetal WTe2: quantum oscillations and first-principles study
Currently, topological semimetals are being actively investigated from both theoretical and experimental perspectives due to their unique physical properties, including topologically protected states, large magnetoresistivity, and high carrier mobility, which make these materials promising for various applications in electronics. In this work, we present experimental and theoretical studies of the electronic structure and electronic transport in the Weyl semimetal $WTe_2$. Band structure of $WT…

First-principles study of formic acid decomposition on single Pt atoms supported on heteroatom-doped graphene
Kazuma Sato, Norihito Sakaguchi, Yuji Kunisada
https://arxiv.org/abs/2509.07494

First-principles study of formic acid decomposition on single Pt atoms supported on heteroatom-doped graphene
Formic acid is a promising liquid hydrogen carrier, but its catalytic decomposition requires both high activity and selectivity toward dehydrogenation. Here, we investigated the catalytic activity and selectivity of formic acid decomposition on single Pt atoms supported on pristine and heteroatom-doped graphene using first-principles calculations based on the density functional theory. Reaction energy profiles reveal that single Pt atoms on P- and O-doped graphene show catalytic activity compar…

Quasiparticle effects and strong excitonic features in exfoliable 1D semiconducting materials
Simone Grillo, Chiara Cignarella, Friedhelm Bechstedt, Paola Gori, Maurizia Palummo, Davide Campi, Nicola Marzari, Olivia Pulci
https://arxiv.org/abs/2510.09194

Quasiparticle effects and strong excitonic features in exfoliable 1D semiconducting materials
We report a comprehensive first-principles study of the electronic and optical properties of recently identified exfoliable one-dimensional semiconducting materials, focusing on chalcogenide-based atomic chains derived from van der Waals-bonded bulk crystals. Specifically, we investigate covalently bonded S3 and Te3 chains, and polar-bonded As2S3 and Bi2Te3 chains, using a fully first-principles approach that combines density-functional theory (DFT), density-functional perturbation theory (DFPT…

First-principles approach to ultrafast pump-probe spectroscopy in solids
Lu Qiao, Ronaldo Rodrigues Pela, Claudia Draxl
https://arxiv.org/abs/2509.07612 https://

First-principles approach to ultrafast pump-probe spectroscopy in solids
Pump-probe spectroscopy is a powerful tool to study ultrafast exciton dynamics, revealing the underlying complex interactions on the electronic scale. Despite significant advances in experimental techniques, developing a comprehensive and rigorous theoretical framework for modeling and interpreting the transient response in photoexcited materials remains a challenge. Here, we present a first-principles approach to simulating pump-probe spectroscopy and disentangling the electronic and thermal c…

Atomic Layer Etching of Aluminum Nitride: Mechanistic Insights from First-Principles Studies of Chlorine Chemistry
Sanjay Nayak, Nikolai Andrianov, Thomas Gruhn, Joaquin Miranda
https://arxiv.org/abs/2509.07554

Atomic Layer Etching of Aluminum Nitride: Mechanistic Insights from First-Principles Studies of Chlorine Chemistry
Using first-principles density functional theory calculations in combination with the climbing-image nudged elastic band method, we investigated the adsorption, desorption, and diffusion of atomic chlorine and molecular chlorine on the Al terminated 0001 surface of aluminum nitride. Our results reveal that both atomic Cl and Cl2 exhibit a chemisorption character with high binding energies. Calculations revealed that the splitting pathway of Cl2 on the Al terminated AlN 0001 surface is a barrier…