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01.
arXiv (CS.CV) 2026-06-18

HandwritingAgent: Language-Driven Handwriting Synthesis in Scalable Vector Space

Teaching machines to emulate natural handwriting styles remains an open challenge, as it requires synthesizing stroke sequences that dynamically vary in shape, texture, pressure and script - not only across individuals, but also within a single person's handwriting. Attempts at this challenge have largely explored deep learning methods in both online and offline settings. However, these approaches are often constrained by style-specific architectural choices, heavy reliance on large datasets, high compute costs, and a lack of flexible control over writing styles through natural language. To this end, we introduce HandwritingAgent, a language-driven agent that can synthesize natural handwriting sequences directly in Scalable Vector Graphics (SVG) format with no need for style-specific training. The agent leverages a large reasoning model to geometrically analyse and autoregressively generate target handwritten glyphs as stroke sequences in a discrete grid canvas environment. Generation is conditioned on texts provided in either conversational or non-conversational mode, along with a reference handwriting-style image. Experiments on diverse handwriting tasks spanning imitation, recognition, multi-lingual handwriting synthesis, and generation of complex handwritten maths and science expressions indicate substantial improvement in performance, with HandwritingAgent matching or surpassing state-of-the-art generative handwriting models, while providing a more efficient, controllable, and generalizable synthesis method.

02.
arXiv (CS.CV) 2026-06-15

Context-aware Modality-Topology Co-Alignment for Multimodal Attributed Graphs

Multimodal Attributed Graphs (MAGs) model real-world entities by coupling graph topology with heterogeneous attributes such as text and images. They support graph-centric tasks requiring structural and class-discriminative representations, and modality-centric tasks requiring fine-grained cross-modal correspondence. However, existing MAG methods often rely on fixed graph contexts or uniformly fused representations, causing task-agnostic propagation and over-compressed fusion that hinder diverse task requirements and modality-specific evidence preservation. To address this, we propose CoMAG, a unified MAG backbone that learns task-adaptive reliable contexts and modality-preserving alignment within them. CoMAG first conducts Reliable Context Learning by estimating edge reliability from multimodal semantic consistency, complementing raw topology with semantic neighbors, and selecting context components through a task-aware gate. It then performs Modality-preserving Hop-token Alignment by maintaining modality-specific multi-hop trajectories, matching modality-hop tokens across modalities, and decoupling shared and private representations. Thus, CoMAG produces graph and modality representations from one forward pass while retaining modality-specific cues. We further analyze stable propagation, over-smoothing mitigation, and modality-collapse control. Experiments on nine OpenMAG datasets compare CoMAG with feature-only, graph-only, multimodal, and unified MAG baselines across graph-level prediction, modality matching, and graph-conditioned generation. Results show that CoMAG achieves the best reported performance, demonstrating that task-adaptive reliable contexts and modality-preserving alignment improve structural prediction, cross-modal matching, and graph-conditioned generation while retaining sparse edge-linear complexity.

03.
arXiv (CS.LG) 2026-06-12

Adaptive Model-Predictive Control of a Soft Continuum Robot Using a Physics-Informed Neural Network Based on Cosserat Rod Theory

arXiv:2508.12681v3 Announce Type: replace-cross Abstract: Dynamic control of soft continuum robots (SCRs) holds great potential for expanding their applications, but remains a challenging problem due to the high computational demands of accurate dynamic models. While data-driven approaches like Koopman-operator-based methods have been proposed, they typically lack adaptability and cannot reconstruct the full robot shape, limiting their applicability. This work introduces a real-time-capable nonlinear model-predictive control (MPC) framework for SCRs based on a domain-decoupled physics-informed neural network (DD-PINN) with adaptable bending stiffness. The DD-PINN serves as a surrogate for the dynamic Cosserat rod model with a speed-up factor of up to 44,000. It is also used within an unscented Kalman filter for estimating the model states and bending compliance from end-effector position measurements. We implement a nonlinear evolutionary MPC running at 70 Hz on the GPU. In simulation, it demonstrates accurate tracking of dynamic trajectories and setpoint control with end-effector position errors below 3 mm (2.3\% of the actuator's length). In real-world experiments, the controller achieves similar accuracy and accelerations up to 3.55 m/s2.

04.
arXiv (CS.LG) 2026-06-12

Differentiable Thermodynamic Phase-Equilibria for Machine Learning

arXiv:2603.11249v3 Announce Type: replace Abstract: Accurate prediction of phase equilibria remains a central challenge in chemical engineering. Physics-consistent machine learning methods that incorporate thermodynamic structure into neural networks have recently shown strong performance for activity-coefficient modeling. However, extending such approaches to equilibrium data arising from an extremum principle, such as liquid-liquid equilibria, remains difficult. Here we present DISCOMAX, a differentiable algorithm for phase-equilibrium calculation that guarantees thermodynamic consistency at both training and inference, only subject to a user-specified discretization. The method combines discrete enumeration of feasible phase states with masked softmax aggregation in the backward pass, with the propagation of the true equilibrium state in the forward pass, using a straight-through gradient estimator to enable physics-consistent end-to-end learning of neural \gls{gE}-models. We show that this approach bears analogy to statistical thermodynamics, and we evaluate it on binary liquid-liquid equilibrium data where it outperforms existing surrogate-based methods, while offering a general framework for learning from different kinds of equilibrium data.

05.
bioRxiv (Bioinfo) 2026-06-20

SAbDab2: The structural antibody database in the age of machine learning

The Structural Antibody Database (SAbDab) is a publicly available repository of experimentally determined antibody structures, first released in 2013. Explicit support for single-domain antibodies was added in 2021, with SAbDab-nano. Recently, increasing interest in antibodies has led to a proliferation of novel antibody formats, while simultaneous advances in machine learning have increased demand for standardised, high-quality structure data. Here, we present SAbDab2, re-engineered for the machine-learning age. It introduces support for a variety of new formats, and makes it easy to retrieve and compare all known structures of a given antibody. In addition, SAbDab2 provides ready access to ML-grade structures of antibody and antibody–antigen-complexes, with standardised, versioned train/test splits. These will be updated every six months going forward, and are available at https://zenodo.org/records/20083995. SAbDab2 itself is updated weekly and is freely available at https://sabdab2.opig.stats.ox.ac.uk.

06.
arXiv (CS.LG) 2026-06-11

IAPO: Input Attribution-Aware Policy Optimization for Tool Use in Small Multimodal Agents

arXiv:2606.11652v1 Announce Type: new Abstract: This paper investigates reinforcement learning (RL) methods for improving tool-calling capabilities in multimodal small language model (SLM) agents. While existing works have explored various reward designs to improve agentic tool-calling ability, these approaches face inherent limitations for SLM training, especially under multimodal scenarios. First, many existing methods evaluate tool use correctness through exact matching against certain ground-truth or predefined formats. However, this assumption is often unsuitable for multimodal tasks, where multiple tool use paths may be valid and annotated tool trajectories are typically unavailable. Second, such sparse and brittle binary rewards provide little guidance on how to improve the underlying decision process, making them particularly difficult for multimodal SLM to learn from. To address these issues, we propose Input Attribution-Aware Policy Optimization (IAPO), an RL algorithm for improving tool use in multimodal SLM by aligning the model's attribution across input components with that of a stronger teacher. Experiments on Qwen2.5-VL-3B show that the proposed method improves visual question answering accuracy by an average of 3% across six test sets compared with existing visual tool use work, by helping the model attend to the most relevant input evidence.

07.
arXiv (CS.CL) 2026-06-11

Multi-Agent Reasoning with Adaptive Worker Allocation for Stance Detection

Stance detection requires identifying an author's position toward a target, often from short-form texts where stance is implicit, indirect, or rhetorically framed. Although large language models (LLMs) achieve strong performance on this task, single-pass prompting can be brittle when multiple interpretations are plausible. Existing aggregation strategies, such as majority voting or self-consistency, improve robustness by combining labels, but they discard the intermediate reasoning needed to resolve conflicting interpretations. We introduce a multi-agent reasoning framework with adaptive worker allocation for stance detection that shifts aggregation from label-level voting to reasoning-level synthesis. The framework employs a Manager-Worker architecture in which a Manager adaptively allocates a variable number of Worker agents based on input complexity. Each Worker analyzes the input from a distinct perspective and produces a reasoning-only explanation without emitting a stance label; the Manager then synthesizes these explanations to produce the final prediction. We evaluate the proposed framework on SemEval-2016, P-Stance, and COVID-19 Stance using Llama, Mistral, and Gemini. Results show that the framework yields the largest gains on implicit and context-dependent stance cases, achieving 86.07 Macro-F1 on COVID-19 and 82.90 on SemEval-2016, while remaining competitive on more explicit stance datasets such as P-Stance. These findings suggest that adaptive reasoning-level aggregation is most beneficial when stance cannot be reliably inferred from surface cues alone.

08.
arXiv (CS.CL) 2026-06-12

NaturalFlow: Reducing Disruptive Pauses for Natural Speech Flow in Simultaneous Speech-to-Speech Translation

Simultaneous speech-to-speech translation aims to enable near-real-time communication by minimizing latency, offering a compelling, real-time alternative to the high latency of consecutive translation. However, the excessive pursuit of low latency often results in fragmented chunk-wise speech. Consequently, listeners are subjected to an unnatural acoustic flow punctuated by frequent pauses, which could increase their cognitive load. To bridge this gap, we introduce a fluency-aware optimization framework designed to discover the sweet spot between the low-latency benefits of simultaneous translation and the natural flow of consecutive translation. Our framework minimizes inter-chunk silences by leveraging model-internal signals, including linguistic diversity and induced temporal variability in speech durations. Experiments on short- and long-form benchmarks show that our framework produces natural speech flow while maintaining competitive latency and translation quality.

09.
arXiv (CS.CV) 2026-06-18

SC3-Eval: Evaluating Robot Foundation Models via Self-Consistent Video Generation

Evaluating generalist robot manipulation policies in the real world is expensive, slow, and difficult to scale. Action-conditioned video world models offer a scalable alternative by simulating policy rollouts. Autoregressive rollouts accumulate compounding errors, observations across multiple camera views must remain mutually consistent, and the evaluator must generalize to policies whose behaviors lie outside the training distribution. We address these challenges with SC3-Eval, a self-consistent video generation recipe that adapts a pre-trained video foundation model into an accurate policy evaluator by enforcing three complementary forms of consistency. First, forward-inverse dynamics consistency jointly trains the model to predict frames from actions and to recover actions from frames, anchoring generated rollouts to a physically plausible action manifold and counteracting the drift a forward-only model cannot penalize. Second, cross-view consistency trains the model to inpaint each camera view from the other, keeping the multi-camera observation coherent over long rollouts without any explicit memory mechanism. Third, test-time consistency reuses the inverse dynamics mode at inference as a per-action-chunk uncertainty signal that terminates rollouts whose generated frames drift away from the requested actions. We also demonstrate SC3-Eval rollouts reproduce the failure modes that policies exhibit in real-world rollouts, supporting fine-grained diagnostic comparison rather than aggregate ranking alone. Across seven real-world vision-language-action policies, SC3-Eval attains a closed-loop Pearson correlation of $0.929$ and MMRV of $0.119$, outperforming three strong prior video-model-based baselines, and generalizes to new tasks.

10.
arXiv (CS.CV) 2026-06-11

Real-Time Neural Hair Denoising

We propose a lightweight real-time method for reconstructing strand-based hair G-Buffers from severely undersampled rasterized inputs. Our pipeline first applies neural spatial reconstruction and temporal accumulation to recover hair coverage, i.e., fractional hair visibility within a pixel, and tangent. It then uses a tangent-guided reconstruction step to complete the position, which is subsequently used for physically based deferred hair shading. We evaluate our method across a diverse set of hairstyles, including straight, wavy, afro, and ponytail styles, under both static and dynamic scenarios. Our method achieves higher hair reconstruction quality than existing hair-specific denoising techniques and general industrial neural reconstruction solutions such as DLSS and FSR.

11.
medRxiv (Medicine) 2026-06-17

Wearable-Grade Lead Reduction Disproportionately Degrades ECG AI Performance in Elderly Patients: Evidence from PTB-XL and MIT-BIH

Consumer wearable devices increasingly use single-lead electrocardiograms (ECGs) for cardiac monitoring, but these signals contain substantially less spatial information than the clinical 12-lead standard. Whether this reduction dispro- portionately affects older adults, who often present with more complex cardiac conditions, remains poorly understood. In this study, we evaluated the impact of lead reduction on AI-ECG diagnostic performance across age groups. A 1D resid- ual neural network was trained on 21,091 PTB-XL ECG recordings spanning five diagnostic superclasses and assessed using 12-, 6-, 2-, and 1-lead configurations. Under the full 12-lead setting, model accuracy declined from 84.5% in patients younger than 40 years to 66.2% in patients aged 75 years or older. Progressive lead reduction further widened this gap. Under the 1-lead configuration, accuracy decreased by 14.1 percentage points in the 75+ group but by only 0.4 percent- age points in the

12.
arXiv (CS.CL) 2026-06-19

Large Language Models Do Not Always Need Readable Language

Large language models (LLMs) are commonly prompted and interfaced with human-readable natural language, even when the intended reader is another model. This paper investigates whether semantic information can be encoded in compact, non-standard textual forms that sacrifice human readability while remaining recoverable by LLMs. We refer to this class of model-centric textual representations as BabelTele, approached here not as a fixed protocol but as an empirical probe into LLMs' capacity to generate and interpret such representations. Through readability diagnostics, model likelihood measures, human questionnaires, and downstream task evaluations, we find that BabelTele can substantially depart from ordinary natural language while preserving core semantics for instruction-tuned LLMs. As a task-agnostic representational paradigm, BabelTele demonstrates high information density, maintaining 99.5% semantic fidelity even when the text volume is condensed to 27.9% of its original length. We further evaluate its semantic robustness in cross-model transfer, agent memory, and multi-agent communication. Results suggest that BabelTele can reduce context overhead while generally maintaining reliable downstream performance, although its effectiveness depends on the compressor-reader pair and task setting. These findings indicate that human readability, natural-language typicality, and model-side semantic recoverability can be partially decoupled, opening a path toward model-native representations in future exploration of LLM systems.

13.
arXiv (CS.CL) 2026-06-11

A Geometric Profile of Semantic Information in Text: Frame-Conditional Uniqueness and a Trade-Off Triangle for Scalar Summaries

How much meaning does a text carry? Shannon's theory measures uncertainty over symbols and is intentionally indifferent to meaning, while pairwise metrics such as BERTScore compare two texts rather than characterizing one. We develop a geometric framework that measures semantic content from the structure of a text's sentence embeddings. The framework has three parts. First, within a fixed embedding and baseline, six natural axioms uniquely determine a scalar measure up to scale, a frame-conditional uniqueness theorem. The resulting scalar is empirically too coarse, motivating a richer representation. Second, we propose a three-coordinate semantic profile capturing novelty (displacement from generic discourse), breadth (diversity of distinct ideas), and integration (connectedness among them), together with a discrete minimal unit (the semantic quantum) whose resolution is fixed by a clustering threshold $\tau$. Third, we prove a no-go theorem: no scalar summary of the profile can simultaneously satisfy analytic stability under paraphrase and concatenation, ordinal robustness across text scales, and cross-representation comparability. We exhibit two practical scalars, $S_{\mathrm{minmax}}$ and $S_{\mathrm{rank}}$, each occupying a distinct corner of this trade-off triangle. Validation across 23 synthetic categories, 5 Project Gutenberg novels, and 3 embedding models confirms the trade-off. The recommended rank-normalized configuration passes 25 of 28 ordinal checks as point estimates (21 of 28 after Benjamini-Hochberg correction), outperforming seven baselines including unigram entropy and a BERTScore-based novelty signal. A separate variational result connects the breadth coordinate to the log-determinant of a determinantal point process (Spearman $\rho = 0.985$ over 507 Gutenberg chapters), giving an optimization-theoretic foundation for breadth.

14.
arXiv (CS.AI) 2026-06-15

Unsupervised Learning of Efficient Exploration: Pre-training Adaptive Policies via Self-Imposed Goals

arXiv:2601.19810v2 Announce Type: replace-cross Abstract: Unsupervised pre-training can equip reinforcement learning agents with prior knowledge and accelerate learning in downstream tasks. A promising direction, grounded in human development, investigates agents that learn by setting and pursuing their own goals. The core challenge lies in how to effectively generate, select, and learn from such goals. Our focus is on broad distributions of downstream tasks where solving every task zero-shot is infeasible. Such settings naturally arise when the target tasks lie outside of the pre-training distribution or when their identities are unknown to the agent. In this work, we (i) optimize for efficient multi-episode exploration and adaptation within a meta-learning framework, and (ii) guide the training curriculum with evolving estimates of the agent's post-adaptation performance. We present ULEE, an unsupervised meta-learning method that combines an in-context learner with an adversarial goal-generation strategy that maintains training at the frontier of the agent's capabilities. On XLand-MiniGrid benchmarks, ULEE pre-training yields improved exploration and adaptation abilities that generalize to novel objectives, environment dynamics, and map structures. The resulting policy attains improved zero-shot and few-shot performance, and provides a strong initialization for longer fine-tuning processes. It outperforms learning from scratch, DIAYN pre-training, and alternative curricula. Code is available at: https://github.com/Octavio-Pappalardo/ulee-jax

15.
arXiv (CS.AI) 2026-06-17

AI Adoption Across a Multinational Workforce: Sociotechnical Conditions for GenAI Acceptance in Human Resources

arXiv:2606.17887v1 Announce Type: cross Abstract: Generative AI (GenAI) deployment in the workplace is accelerating rapidly. Nevertheless, questions of who adopts, who benefits, and who is left behind and why are still understudied. In this paper, we investigate these dynamics in the context of a multinational tech company transitioning from a legacy Human Resources (HR) search system to a GenAI-supported system, analyzing search log data, survey data (n=25), and ten semi-structured interviews. Our findings show that adoption depended on the fit between the GenAI system's design assumptions and employees' work positionalities (role, spoken language, tenure). Further, we find that employees' trust in GenAI answers was built through source-checking, comparison among systems, and seeking input from colleagues or HR when in doubt. Our contribution is twofold. First, we provide empirical evidence of workplace GenAI adoption during a live organizational transition, showing that adoption is influenced by factors such as situational fit, search literacy, and trust calibration. It is also further shaped by knowledge conditions such as the system's content quality, employee training, and guidance. Second, we translate these findings into design considerations for inclusive deployment and adoption in high-stakes environments such as HR. We argue that organizations should design systems considering the role and context-sensitive benefits they yield to different social groups. They also need to treat the organizational knowledge infrastructure as AI infrastructure to improve the accountability and usability of GenAI systems

16.
arXiv (CS.AI) 2026-06-15

AFFORDANCE20Q: Evaluating Affordance Reasoning from Physical Properties

arXiv:2606.14240v1 Announce Type: new Abstract: Affordance reasoning, the inference of an object's action possibilities from its physical properties (e.g., shape and material), is fundamental to human physical understanding and increasingly critical for Large Language Models (LLMs). However, existing affordance benchmarks largely expose explicit object identities in the evaluation setup, allowing models to rely on memorized object-affordance mappings rather than reasoning over physical properties. To address this gap, we introduce Affordance20Q, a novel affordance reasoning benchmark formulated as a 20-Questions game without exposing the object's identity. In each game, the model identifies a hidden object's affordance from a candidate set by asking yes/no questions about its physical properties. Affordance20Q comprises 1,009 games over 454 objects and 59 affordances, all manually filtered, refined, and annotated. We conduct comprehensive experiments with 15 state-of-the-art LLMs and find a substantial gap (~20 points) compared to human performance. A KL-based information-gain (IG) analysis further shows that models fail to ask discriminating questions as the game progresses. To close the gap, we develop KB-Anchored Rule Induction (KARI), a pipeline based on LLMs that generates affordance rules grounded in evidence from knowledge bases (KBs). KARI improves open-source LLMs by up to 15.2 points, while the limited coverage of KBs hinders further gains. We release all our code and data at https://github.com/1171-jpg/Affordance20Q.git

17.
arXiv (quant-ph) 2026-06-19

Generating function and Bloch representation for quantum Fisher tensor

arXiv:2511.05260v2 Announce Type: replace Abstract: The Uhlmann relative amplitude between two density matrices is shown to be a generating function, through which the quantum Fisher tensor that contains both the quantum Fisher information matrix and the mean Uhlmann curvature can be obtained via differentiation over system parameters. In the pure state limit, our generating function recovers that of the quantum geometric tensor proposed by Het\'{e}nyi and L\'{e}vay, and also clarifies the fidelity and phase between two quantum states as the generating functions of the quantum metric and Berry curvature, respectively. A generic expression for the quantum Fisher tensor in terms of the Bloch representation of density matrices is derived, which facilitates the calculation of the tensor, mean Uhlmann curvature, and geometric properties derived from the quantum Fisher information matrix. Canonical ensembles of spins are adopted to demonstrate our formalism, which reveals a constant Ricci scalar, a vacuum Einstein equation, and a cosmological constant on the 3D Euclidean manifold of the magnetic field

18.
arXiv (CS.LG) 2026-06-16

Tail-Shape Estimation in LLM Evaluation Is Fragile: A Protocol for Diagnosing False Positives

作者:

arXiv:2606.16511v1 Announce Type: new Abstract: Recent work motivates moving large language model (LLM) evaluation from mean-based to tail-aware metrics, including conditional value-at-risk and tail-index estimates of reward-model error. We ask whether the canonical extreme-value-theory tail-index parameter, which isolates how heavy a tail is from how large the tail mass is, adds discriminative information beyond the mean and a standard tail-magnitude statistic in LLM evaluation. We pre-register a protocol covering admissibility, goodness-of-fit, threshold-stability, and effect-size requirements for any positive tail-shape claim. The protocol is the contribution of this paper; the empirical study below is a demonstration of what its gates catch. Applied to a standard LLM toxicity-evaluation setup under two structurally different scorer families, the protocol catches three distinct modes of false positives that a naive analysis would have published, and rejects the headline tail-shape claim on both scorers. We conclude that tail-shape estimation in the LLM toxicity-evaluation setups we examined is more fragile than the recent literature suggests, and recommend the protocol as a starting point for tail-index claims in similar setups.

19.
arXiv (CS.AI) 2026-06-19

RoboSSM: Scalable In-context Imitation Learning via State-Space Models

arXiv:2509.19658v2 Announce Type: replace-cross Abstract: In-context imitation learning (ICIL) enables robots to learn tasks from prompts consisting of just a handful of demonstrations. By eliminating the need for parameter updates at deployment time, this paradigm supports few-shot adaptation to novel tasks. However, recent ICIL methods rely on Transformers, which have computational limitations and tend to underperform when handling longer prompts than those seen during training. In this work, we introduce RoboSSM, a scalable recipe for in-context imitation learning based on state-space models (SSM). Specifically, RoboSSM replaces Transformers with Longhorn – a state-of-the-art SSM that provides linear-time inference and strong extrapolation capabilities, making it well-suited for long-context prompts. Through diverse experiments on the LIBERO benchmark, we demonstrate the effectiveness of applying SSMs to ICIL, achieving improved generalization to both unseen and long-horizon tasks than Transformer-based ICIL methods by handling longer contexts at test-time. These results show for the first time that SSMs are an efficient and scalable backbone for ICIL. Our code is available at https://github.com/youngjuY/RoboSSM.

20.
arXiv (CS.LG) 2026-06-12

Deep Unfolded Latent Optimally Partitioned-l2/l1 Networks for Data-driven Block-Sparse Recovery

arXiv:2606.12740v1 Announce Type: new Abstract: The convex Latent Optimal Partition (LOP)-l2/l1 approach enables block-sparse signal recovery with unknown partitions but relies on manual hyperparameter tuning. Additionally, numerical instability in differentiating its proximal operator prevents its automatic parameter tuning via Deep Unfolding (DU). To address these limitations, we propose two architectures: a stable framework utilizing implicit differentiation and a flexible variant leveraging Deep Weight Factorization (DWF). The DWF-based approach also supports nonconvex smooth data fidelity terms. Numerical experiments demonstrate that DU-LOP-l2/l1 yields competitive performance and high resilience against impulsive noise.

22.
bioRxiv (Bioinfo) 2026-06-11

Machine Learning-Guided Discovery of Bacterial-Selective Membrane-Active Compounds Reveals Mechanistic Bias in Antibiotic Training Datasets

The rise of antibiotic resistance necessitates the discovery of antibacterial compounds with novel mechanisms of action (MoAs). Recent machine learning approaches have shown promise in antibacterial compound discovery, but often identify derivatives of known antibiotic classes rather than mechanistically novel compounds. Previous approaches applied Tanimoto similarity filters at the end of screening pipelines, but this method has substantial drawbacks: Tanimoto similarity can be misleading in chemical space, and post-hoc filtering does not influence what activity models learn to prioritize. Here, we present a machine learning pipeline that addresses chemical novelty upfront by employing an XGBoost-based MoA classifier to explicitly prioritize compounds predicted to have mechanisms distinct from known antibiotic classes, combined with graph neural networks for antibacterial activity and toxicity prediction. Applied to the Zinc20 database, our approach successfully identified non-toxic antibacterial compounds structurally distinct from known antibiotics. Notably, the majority of these hits exhibited membrane-targeting activity with selectivity for bacterial cells over mammalian cells, suggesting potential for next-generation membrane-active antibiotics. However, we did not identify compounds with novel protein targets. Systematic analysis revealed that this limitation stems from mechanistic bias in training data rather than model architecture. Specifically, our activity model learned to preferentially score compounds similar to specific groups in the training data, thus overrepresenting certain MoA classes including membrane-active compounds. Even substantial model architecture and training data enhancements did not overcome this constraint. Our findings demonstrate that the primary bottleneck for discovering mechanistically novel antibiotics is the scarcity of diverse, mechanistically-annotated training data. This work provides both a methodological framework for mechanism-aware screening and critical insights into data requirements for genuinely novel antibiotic discovery.

23.
arXiv (CS.CL) 2026-06-19

CombEval: A Framework for Evaluating Combinatorial Counting in Large Language Models

We present CombEval, a dynamic benchmark for evaluating combinatorial counting in large language models. CombEval represents each problem as a typed Cofola specification over entities, combinatorial objects, object dependencies, and constraints, enabling controlled generation of natural-language counting problems with exact solver-verified answers. Unlike static collections, CombEval supports systematic variation of object type, entity scale, constraint count, and reasoning depth. We evaluate 11 LLMs under direct and code-augmented settings and find that models remain brittle on ordered objects, indistinguishable elements, relatively positional constraints, and nested object dependencies. Error analysis further identifies failures in constraint interpretation and counting principles. CombEval provides a diagnostic testbed for studying when and why LLMs fail at combinatorial reasoning. The code and generated benchmark suites are publicly available at \url{https://github.com/YuxuZhou-CN/combination-problem-generation}.

24.
arXiv (quant-ph) 2026-06-19

Majorana bound states in a hybrid Kitaev ladder with long-range pairing

arXiv:2606.19963v1 Announce Type: new Abstract: We investigate an inter-leg coupled hybrid Kitaev ladder composed of two parallel superconducting chains with distinct pairing interactions. The upper chain of the ladder hosts conventional $p$-wave pairing, while the lower chain exhibits long-range pairing that decays algebraically with distance. We demonstrate that the mutual influence of long-range pairing exponent, chemical potential, and inter-leg coupling strength gives rise to a rich topological phase diagram characterized by multiple Majorana zero modes and massive Dirac modes. In particular, we show that the inter-leg coupling renormalizes the effective energy scales, leading to a systematic shift of the topological phase boundaries and enabling controlled tuning of the Majorana modes. Furthermore, we identify a transition from a two Majorana zero mode phase to a phase encapsulating four Majorana zero modes, as the long-range pairing exponent is varied. This transition is accompanied by a crossover regime in which Majorana zero modes coexist with massive Dirac modes, reflecting hybridization between edge and bulk excitations. This ladder thus provides a minimal and attractive platform for realizing the impact of a long-range pairing on topological phases. Our results highlight the potential of long-range hybrid systems for engineering tunable topological states relevant for quantum information applications.

25.
arXiv (CS.CV) 2026-06-19

Shape of Thought: Progressive Object Assembly via Visual Chain-of-Thought

Multimodal models for text-to-image generation have achieved strong visual fidelity, yet they remain brittle under compositional structural constraints, notably generative numeracy, attribute binding, and part-level relations. To address these challenges, we propose Shape-of-Thought (SoT), a visual CoT framework for process-supervised progressive shape assembly in the rendered 2D domain, without external engines at inference time. SoT trains a unified multimodal autoregressive model to generate interleaved textual plans and rendered intermediate states, helping the model capture shape-assembly logic without producing explicit geometric representations. Unlike text-only CoT, each decision is grounded in a rendered state, making counts, attachments, topology, and intermediate part-addition errors inspectable across the trajectory. To support this paradigm, we introduce SoT-26K, a large-scale dataset of grounded assembly traces derived from part-based CAD hierarchies, and T2S-CompBench, a benchmark for evaluating structural integrity and trace faithfulness. Fine-tuning on SoT-26K achieves 88.4% on component numeracy and 84.8% on structural topology, outperforming direct generation by +24.2 points on component numeracy and +19.3 points on structural topology. SoT establishes a transparent testbed for rendered-domain structure-aware generation. The code is available at https://github.com/yuhuo03/Shape-of-Thought.