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01.
arXiv (CS.AI) 2026-06-12

Otters++: A Time-to-first-spike Based Energy Efficient Optical Spiking Transformer

arXiv:2606.13016v1 Announce Type: new Abstract: Spiking neural networks (SNNs) are promising for energy-efficient inference, and time-to-first-spike (TTFS) coding is especially attractive because each neuron fires at most once. In practice, however, this benefit is often reduced by the cost of computing a temporal decay term and multiplying it by the synaptic weight. We address this issue by turning a physical hardware "bug," the natural signal decay in optoelectronic devices, into the main computation of TTFS, named Otters++. Specifically, we use the measured decay of a custom In$_2$O$_3$ optoelectronic synapse to directly realize the TTFS temporal term, removing the need for explicit digital decay computation. To scale this idea to Transformer models, we establish a layer-wise functional equivalence between the Otters++ and a quantized neural network (QNN), and develop a hybrid training method that uses device-faithful SNN computation in the forward pass and QNN straight-through gradients through the equivalent QNN path in the backward pass, together with model distillation. This avoids differentiation through discrete first-spike events and reduces the over-sparsity problem in direct TTFS-SNN training. We further make training aware of measured device noise by sampling run-to-run variation, and refine the system-level energy model by accounting for device sharing and multi-hop communication. On GLUE dataset, Otters++ improves the average score to 84.17\% while maintaining a clear energy advantage over prior spiking Transformer baselines. These results show that physically grounded TTFS computing can be efficient, trainable, and robust under realistic hardware effects.

02.
arXiv (CS.AI) 2026-06-16

AutoDojo: Adaptive Attacks Expose Superficial Defenses and User-Underspecification Limits in LLM Agents

arXiv:2606.15057v1 Announce Type: cross Abstract: Indirect prompt injection (IPI) is a major security threat to LLM-powered agents. Thus, a growing body of work have proposed a variety of defensive approaches against IPI. These can be grouped into three broad categories: 1) prompt-based (using prompting as a way to prevent agents from following malicious instructions), 2) detection-based (identifying and filtering malicious instructions), and 3) system-level (using systems insights, such as control and data isolation, for defense). However, commonly used benchmarks for evaluating defense, such as AgentDojo, are inherently static, generating a fixed distribution of IPI attacks. Consequently, static benchmarks do not usefully evaluate defense robustness to adaptive threats. We address this issue by developing AutoDojo, an adaptive extension of AgentDojo that optimizes IPI against a given defense. Using AutoDojo against state-of-the-art IPI defenses across three task suites and five target models, we make two key observations. First, many defenses offer only limited protection: a cheap, black-box adaptive attack using a frontier LLM to iteratively optimize the injection raises attack success rate (ASR) well above the level achieved by static injections against nearly all evaluated defenses. Against a filter that reduces static ASR to 0\%, AutoDojo recovers 28\% overall and 64\% on action-open tasks. Second, for prompt-level and filter-based defenses, ASR is substantially higher on action-open tasks – where the user's request delegates the action itself to attacker-controlled content – than on precisely specified tasks. This is a structural limit: on such tasks the injection can pose as ordinary data rather than an explicit instruction, bypassing defenses that rely on detecting instruction-like text. AutoDojo is publicly available at https://github.com/xhOwenMa/AutoDojo.

03.
arXiv (CS.LG) 2026-06-16

The Algebra of Units: From Buckingham's Pi-grec Theorem to Latent-Variable Learning

arXiv:2606.16737v1 Announce Type: cross Abstract: Engineers often measure many quantities-speed, pressure, temperature, length-expressed in different physical units. The Buckingham Pi-grec theorem states that these variables can always be combined into a smaller set of dimensionless numbers whose values fully determine the system's behaviour. Identifying the appropriate dimensionless groups has traditionally required expert knowledge and physical insight. This paper shows that they can instead be discovered automatically from data, without prior knowledge of the governing physics. The key observation is that, after logarithmic transformation, measurements collected under different scalings of the same system lie on a low-dimensional manifold whose geometry is determined by the underlying dimensionless groups. Singular value decomposition (SVD) identifies this manifold directly from data. A subsequent search over integer-exponent combinations recovers candidate dimensionless quantities, while a repeating-variable filter retains only those constructed from the machine's characteristic scales. This procedure recovers familiar engineering groups, including the flow coefficient, head coefficient, and Mach number, while excluding equivalent but less interpretable alternatives. The method is demonstrated on a synthetic compressor dataset containing 16,000 measurements. Starting from raw dimensional variables and no physics input, it recovers the correct dimensionless groups to numerical precision and reproduces the compressor performance map with an error below 0.01%. More broadly, the work reveals a close connection between classical dimensional analysis and modern data-driven learning. Both rely on the same underlying algebraic structure, suggesting new approaches for building physical models that are simultaneously interpretable, scalable, and data-efficient.

04.
arXiv (CS.AI) 2026-06-24

Does Mixture-of-Experts Actually Help Inference on Consumer and Edge Hardware? An Empirical Study

arXiv:2606.21428v2 Announce Type: replace-cross Abstract: Mixture-of-Experts (MoE) language models are often described as ideal for resource-constrained inference. Each token activates only a small subset of experts, so the per-token compute cost, in floating-point operations (FLOPs), resembles that of a much smaller dense model. Whether that FLOP advantage survives in practice is far less clear. We ask whether MoE models actually run faster and cheaper than comparable dense models on consumer-grade and edge hardware. We benchmark OLMoE-1B-7B (1.3 B active of 6.9 B total) against three dense baselines on an Apple M2 Pro and an NVIDIA Jetson Orin Nano 8 GB through \texttt{llama.cpp}, measuring throughput, memory, and on-device energy. The answer is device-dependent: OLMoE's active-parameter advantage is only partly realised on the laptop (~10% behind the same-active Llama-3.2-1B) and erodes on the edge device (~31% behind, at 2.1$\times$ the energy per token, with peak memory at the 8 GB ceiling). Patching \texttt{llama.cpp} to time the decode graph node-by-node shows routing accounts for under 9% of MoE-block compute on the cleaner edge backend, so the gap reflects total-parameter memory footprint, expert dispatch, and KV-cache pressure rather than routing. The implication is that on bandwidth-bound edge hardware, inference cost tracks total parameters, not active ones, and sparse activation does not buy back what the device is constrained on. These findings are bounded to one MoE model at this parameter scale and two devices, and we release the full measurement harness and per-run data.

05.
arXiv (CS.CL) 2026-06-24

A Synthetic Reliability-Aware PINN Benchmark for Offshore Wind Turbine Support-Structure Monitoring with Bayesian Inverse Identification

Reliable structural health monitoring (SHM) of offshore wind turbine (OWT) support structures requires fast state estimation from sparse measurements. Repeated high fidelity finite element or aeroelastic analyses are difficult to use directly in online monitoring loops, while purely data-driven surrogates can require large training sets. This paper presents Digi Turbine, a synthetic reliability-aware Physics Informed Neural Network (PINN) benchmark for OWT monopile support structure monitoring. The workflow embeds a simplified Euler Bernoulli beam equation with Winkler soil foundation in the training objective, couples it with Bayesian-prior-informed inverse identification, and adds First Order Reliability Method (FORM) screening. All validation uses synthetic configurations with analytical or finite-difference ground truth motivated by the NREL 5MW reference turbine context.

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

The Dynamics of Human and AI-Generated Language: How Semantics Fluctuates across Different Timescales

Spoken language, whether produced by humans or large language models (LLM), unfolds over time with varying semantic content. However, we still lack simple, interpretable time-series features that capture how generic versus specific content is distributed over time, and that can be used to compare human and AI-generated speech. We introduce a semantic-timescale analysis pipeline that turns word-level transcripts with timestamps into semantic time-series. For each spoken narrative, we compute (i) semantic specificity using WordNet-based word depth and (ii) contextual similarity using SBERT embeddings and quantify their temporal dependence using autocorrelation-window measures (ACW-0 and related metrics). We then compare original speech to multiple shuffled controls that selectively disrupt lexical identity, temporal order, and word duration. Across human-read autobiographical narratives, TTS readings, and LLM-generated texts rendered with TTS, we find that segments with longer ACW-0 in the semantic time-series tend to contain more generic vocabulary, whereas segments with shorter ACW-0 are enriched in more specific words. These associations are strongly attenuated or abolished when word order and timing are randomized, indicating that ACW-based measures capture non-trivial temporal organization of semantic content beyond static lexical distributions. Our results suggest that ACW-based semantic timescales are a useful family of features for analyzing and comparing the temporal structure of human and AI-generated speech.

07.
arXiv (CS.AI) 2026-06-16

ToolSelf: Unifying Task Execution and Self-Reconfiguration via Tool-Driven Emergent Adaptation

arXiv:2602.07883v4 Announce Type: replace Abstract: LLM-powered agentic systems excel at complex long-horizon tasks, but remain constrained by static configurations fixed before execution. Such rigidity forces a trade-off between domain-specific performance and cross-task generalization: strong priors and compact tool spaces aid specialization but weaken transfer, while task-agnostic workflows and broad action spaces expand coverage but dilute guidance. Existing pre-execution optimization, planner-worker orchestration, and configuration patching fall short of resolving this tension, as they decouple adaptation from execution, causing information loss, fragmented optimization, and ambiguous credit assignment. We propose ToolSelf, a tool-driven runtime self-reconfiguration paradigm that abstracts configuration updates as a standardized tool interface and unifies execution and adaptation within one policy's action space. The execution agent can dynamically update sub-goals, strategies, toolboxes, context, and context-management modes based on task progress and feedback. We further introduce Configuration-Aware Two-stage Training (CAT), which combines rejection sampling fine-tuning with trajectory-level KTO reinforcement learning to internalize self-reconfiguration. Across diverse benchmarks, zero-shot ToolSelf rivals task-specialized agents; after CAT training, ToolSelf gains 28.8 points over the static-configuration baseline on average, illuminating a path toward emergent adaptivity that obviates manually injected guidance. The code is available at https://github.com/lian-tian-mo-zun/ToolSelf.

08.
arXiv (CS.CL) 2026-06-16

Speaking the Language of Science: Toward a General-Purpose Generative Foundation Model for the Natural Sciences

In this report, we present LOGOS (Language Of Generative Objects in Science), a scientific generative language model that unifies heterogeneous tasks across the natural sciences within a single autoregressive framework based on a shared scientific grammar. It encodes diverse scientific objects and their spatial interactions as token sequences over a common vocabulary. By representing spatial contact and constraint patterns as discrete tokens, the model captures complex structural interactions in a purely sequential manner, without relying on explicit coordinates or geometric neural networks. This unified representation enables a wide range of downstream tasks to be formulated consistently as next-token prediction in the same grammar space, creating strong alignment between continued multi-domain pre-training and downstream objectives. Across diverse tasks, LOGOS consistently matches or outperforms domain-specific baselines, providing preliminary evidence for the feasibility of "one model fits all" in the natural sciences. We train LOGOS models at different scales (1B, 3B, and 8B parameters) and find a consistent positive correlation between model size and performance. This suggests that the future of AI for Science (AI4S) may not lie in building an independent technical stack that is separated from large language models (LLMs). Instead, it may depend on deeply aligning scientific foundation models with LLMs through shared architectures, shared training paradigms, and shared inference infrastructure, so that LLMs can truly become a new entry point for AI4S. We release the model weights and associated resources to facilitate further research.

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

VidCRAFT3: Camera, Object, and Lighting Control for Image-to-Video Generation

Controllable image-to-video (I2V) generation transforms a reference image into a coherent video guided by user-specified control signals. While precise control over camera motion, object motion, and lighting is essential for high-fidelity creation, existing methods often treat these factors independently. This overlooks the physical coupling among viewpoint, geometry, and illumination in dynamic scenes, leading to visual inconsistencies such as mismatched shadows and perspective drift under simultaneous changes. We present VidCRAFT3, a unified and flexible I2V framework that explicitly models cross-factor interactions among geometry, motion, and illumination, enabling both independent and joint control over camera motion, object motion, and lighting direction. Image2Cloud provides explicit 3D geometric priors for accurate camera motion control. ObjMotionNet encodes sparse object trajectories into multi-scale motion features to guide realistic object motion. A Spatial Triple-Attention Transformer integrates lighting direction through lighting cross-attention for consistent relighting. To address the scarcity of jointly annotated data, we construct the VideoLightingDirection (VLD) dataset with accurate per-frame lighting direction annotations, and introduce a three-stage progressive training strategy that enables robust learning without fully joint annotations. Extensive experiments demonstrate that VidCRAFT3 achieves state-of-the-art performance in control precision and visual coherence across diverse scenarios.

10.
arXiv (CS.AI) 2026-06-15

Beyond LoRA: Is Sparsity-Induced Adaptation Better?

arXiv:2606.13767v1 Announce Type: cross Abstract: Low-rank adaptation (LoRA) and its variants provide a memory- and compute-efficient alternative to full fine-tuning of pre-trained models. However, questions remain about the comparative generalizability of these approaches and how the structural restrictions on low-rank updates preserve effective adaptation performance. We present a historical framing, covering the past (full fine-tuning and original LoRA), the present (different variants of LoRA), and propose simpler, cheaper, parameter-efficient extensions by inducing sparsity within existing LoRA variants: Cheap LoRA (cLA), training a single low-rank factor with the other fixed (deterministically or, in its randomized variant, stochastically), and the chained circulant variant, ${c}^3$LA. We frame cLA as a structured instance of asymmetric LoRA, serving as a controlled column-subspace restriction of full fine-tuning. We derive information-theoretic generalization error bounds for these variants, marking one of the first endeavors in this area. Empirically, we evaluate 11 fine-tuning methods across 10 pre-trained models and 14 datasets, analyzing the fine-tuned models' performance and generalization using tools such as loss landscapes and spectral analysis. Despite the sensitivity of fine-tuned models to the pre-trained model, datasets, and other factors, our study suggests that restricting LoRA-based PEFT methods' adaptation to a sparse, structured column space remains competitive across tasks with their parameter-matched baselines while reducing up to 10% training time and peak GPU memory up to 15%, even with a naïve, non-optimized, sparse implementation. Our theoretical and empirical generalization measures provide a more consistent and principled approach to their cost-effective adaptation than commonly used analytical tools. Overview and code are available at: https://elicaden.github.io/Beyond_LoRA/.

11.
arXiv (CS.LG) 2026-06-16

TreeGRNG: Binary Tree Gaussian Random Number Generator for Efficient Probabilistic AI Hardware

arXiv:2606.16599v1 Announce Type: cross Abstract: Bayesian Neural Networks (BNNs) offer opportunities for greatly enhancing the trustworthiness of conventional neural networks by monitoring the uncertainties in decision-making. A significant drawback for BNN inference at the extreme edge, however, is the imperative need to incorporate Gaussian Random Number Generators (GRNG) within each neuron. State-of-the-art GRNG algorithms heavily depend on multiple arithmetic operations and the use of extensive look-up tables, posing significant implementation challenges for ultra-low power hardware implementations. To overcome this, this paper presents an innovative binary tree random number generator (TreeGRNG) allowing the use of ultra-low-cost constant comparators instead of arithmetic units. We further enhance the TreeGRNG proposal with a set of hardware-aware optimizations exploiting the Gaussian properties. The optimized TreeGRNG surpasses the State-of-the-Art (SoTA) in terms of distribution accuracy while achieving a 3.7$\times$ reduction in energy per sample and boosting the throughput per unit area by 5.8$\times$. Moreover, our TreeGRNG proposal possesses a distinct advantage over the current SoTA in terms of flexibility, as it easily enables designers to adjust the shape of the sampled probability distribution, extending beyond the capabilities of traditional GRNGs, opening the horizon towards future probabilistic AI designs. The TreeGRNG design is available open-source in the link

12.
arXiv (CS.AI) 2026-06-12

TerraBench: Can Agents Reason Over Heterogeneous Earth-System Data?

arXiv:2606.13148v1 Announce Type: new Abstract: Climate and environmental decision-making increasingly requires reasoning across heterogeneous inputs, including gridded physical data, satellite imagery, geospatial context, and simulator outputs. Weather and climate foundation models can forecast well, but do not reason interactively in language, while large language models (LLMs) reason in language but cannot operate directly on high-dimensional Earth-system data. As a result, real scientific workflows in Earth-science remain underserved. We introduce TerraBench, a benchmark for grounded Earth-science reasoning, built on TerraAgent, a ReAct-style executable framework that interleaves reasoning, tool calls, and observations to couple LLM planning with scientific tools for environmental retrieval, geospatial processing, simulation, and artifact-backed computation. TerraBench unifies analysis of Earth observation imagery, gridded data, GIS reasoning and simulation in a single executable interface, whereas prior benchmarks isolate these capabilities into narrow individual tasks. It is also the first in this space to pair process-level tool-use metrics with tolerance-aware numeric scoring. The benchmark comprises 403 extensive agentic tasks across three tracks (Fundamentals, Simulator-Grounded, and Document-Grounded Verification) and eight application domains with 24,500 verified execution steps. These results indicate that reliable Earth-science agents must go beyond tool access to coordinate heterogeneous workflows, parameterize tools precisely, and preserve artifact provenance.

13.
arXiv (CS.LG) 2026-06-17

A Convex Quasilinearization Method for Solving Nonlinear PDEs with Physics-Informed Neural Networks

arXiv:2606.18175v1 Announce Type: cross Abstract: We present a numerical method for the forward solution of nonlinear partial differential equations (PDEs) in which Bellman-Kalaba quasilinearization reduces the nonlinear problem to a sequence of linear subproblems, each discretized by collocation onto a trial space that is linear in its parameters and solved by a single direct linear least-squares QR factorization. The trial space, which we term Linear-in-Learnables (LiL), comprises representations whose trainable parameters enter linearly, including random-feature extreme learning machines, spectral polynomial bases, and trigonometric expansions, each implemented as a physics-informed neural network. The method thus replaces the nonconvex gradient-based training that limits standard PINNs with a convex per-step solve. We establish local Newton-Kantorovich convergence of the outer iteration to a residual-limited neighborhood under an explicit smallness condition, with the limiting accuracy governed by the best-approximation residual of the trial space rather than by an optimization tolerance. The method, denoted LiL-Q, is assessed on seven benchmarks spanning scalar nonlinear PDEs (Bratu, viscous Burgers, Buckley-Leverett), coupled systems (plane-strain elasticity and the incompressible Navier-Stokes equations in two and three spatial dimensions), and steady-state Darcy flow with heterogeneous permeability. Across these problems, LiL-Q converges in single-digit outer iterations in most cases, even at the coarsest basis sizes and independent of the parameter count. When the exact solution lies in the span of the trial space, the method recovers it to machine precision in a single solve. On the Navier-Stokes benchmarks, it matches or exceeds published PINN solvers with up to two orders of magnitude fewer trainable parameters, without gradient-based optimization.

14.
arXiv (CS.AI) 2026-06-17

Breaking the Code: Security Assessment of AI Code Agents Through Systematic Jailbreaking Attacks

arXiv:2510.01359v2 Announce Type: replace-cross Abstract: Code-capable large language model (LLM) agents are embedded in software engineering workflows where they can read, write, and execute code, raising "jailbreak" stakes beyond text-only settings. Prior evaluations emphasize refusal or harmful-text detection, leaving open whether agents compile and run malicious programs. We present JAWS-Bench (Jailbreaks Across WorkSpaces), a benchmark spanning three escalating workspace regimes mirroring attacker capability: empty (JAWS-0), single-file (JAWS-1), and multi-file (JAWS-M). We pair this with a hierarchical, executable-aware Judge Framework that tests (i) compliance, (ii) attack success, (iii) syntactic correctness, and (iv) runtime executability, to measure deployable harm. Across seven LLM backends from five families, prompt-only attacks in JAWS-0 achieve 61% compliance; 58% are harmful, 52% parse, and 27% run end-to-end. In JAWS-1, compliance reaches ~100% for stronger models with a mean ASR (Attack Success Rate) ~71%; JAWS-M raises mean ASR to ~75%, with 32% runnable attack code. Wrapping an LLM in an agent increases ASR by 1.6$\times$, by overturning initial refusals during planning and tool use. Similar trends hold for OpenHands, SWE-Agent, and OpenAI Codex, suggesting our JAWS-Bench is agent-agnostic. Category analyses identify which attack classes are most vulnerable and deployable, motivating execution-aware defenses and refusal-preserving agent designs.

15.
medRxiv (Medicine) 2026-06-23

Oxidative Stress Biomarker Profile Dynamics across Blood and Cerebrospinal Fluid

Peripheral blood measurements dominate oxidative stress research, yet whether they reflect central nervous system (CNS) redox status remains untested in humans. We simultaneously profiled five biomarkers, total antioxidant capacity (TAC), glutathione (GSH), thiobarbituric acid-reactive substances (TBARS), ferric reducing antioxidant power (FRAP), and hydroxyl radical scavenging activity (HRSA), in paired blood and cerebrospinal fluid (CSF) from 140 adults in the ALBION cohort. Only FRAP showed a significant positive cross-compartment correlation ({rho} = +0.49, FDR-p < 0.001), supporting its role as a systemic antioxidant signal. TBARS showed a significant inverse cross-compartment association ({rho} = -0.20, FDR-p = 0.042), suggesting compartmental compensation in lipid peroxidation regulation rather than parallel dynamics. TAC and GSH showed no meaningful intercompartmental alignment. Individual biomarker levels were largely stable across the 40-85 year age range in both compartments, suggesting that age effects operate through coordinated latent networks rather than single-marker trajectories. Principal component extraction with varimax rotation identified four latent factors explaining 66.6% of total variance, dominated by a coherent CSF-centred redox axis alongside multiple partially opposing peripheral components. Age stratification revealed progressive fragmentation: middle-aged adults retained four coherent cross-compartment factors, whereas older adults exhibited five more dispersed components. Sex-stratified analyses showed that females exhibited four-factor modular organisation centred on glutathione, while males showed a simpler three-factor structure with tighter cross-compartment coupling anchored by FRAP. Blood and CSF oxidative stress biomarkers are not interchangeable, a finding with direct implications for biomarker selection in clinical trials targeting neurological conditions.

16.
arXiv (CS.CL) 2026-06-16

IMPACTeen: Intentions, Manipulation, Persuasion, Annotations, and Consequences in Teen Communication Dataset

IMPACTeen is a dataset of textual social influence scenarios spanning interpersonal, media-based, and digital settings in an adolescent context. It contains 1,021 texts, 5,100 individual annotation records, and gold labels for social influence techniques, with each text annotated from five distinct perspectives: teenagers, parents, psychologists, communication experts, and teachers. The resource was constructed through constrained LLM generation, followed by a two-step human editing and validation phase aimed at ensuring youth-context realism. A multi-dimensional annotation covered influence presence, techniques, intentions, consequences, resistance, reactions, and annotation confidence. The dataset supports research on social influence detection, annotator disagreement, cross-lingual modeling, and the training and evaluation of language models. The dataset was created in Polish and is accompanied by a corresponding English version.

17.
arXiv (quant-ph) 2026-06-24

Universal Dynamical Response to Slow Driving in Chaotic Systems

arXiv:2606.23810v1 Announce Type: cross Abstract: We propose a unified perspective on classical and quantum chaos based on the stability of a system's stationary states under slow driving. We probe this sensitivity via the system's susceptibility to the average protocol speed, which we call the ``speed-Fisher information," and relate it to irreversible entropy production in the system. We show that chaotic dynamics manifests as a divergence of the speed-Fisher information with the protocol time, and that this response is controlled by the perturbation's low-frequency spectral weight. This approach to chaos applies to both classical and quantum Hamiltonian systems, and naturally extends to non-Hamiltonian classical flows. We illustrate this framework with simple classical and quantum examples, along with a non-Hamiltonian flow that qualitatively exhibits analogous low-frequency spectral behavior.

18.
arXiv (CS.AI) 2026-06-11

Sparsified Kolmogorov-Arnold Networks for Interpretable Quantum State Tomography

arXiv:2606.11814v1 Announce Type: cross Abstract: Machine-learning approaches to quantum state tomography can achieve high reconstruction fidelity, but the physical structure used by the trained model often remains implicit. Here we ask whether a sparsified Kolmogorov-Arnold Network (KAN) can be used not only as a regressor, but also as an inspectable reconstruction rule whose internal organization can be checked against known Pauli structure. We study a controlled three-qubit GHZ-family benchmark in which all 63 non-identity Pauli expectation values are used to reconstruct three GHZ-subspace variables: the population imbalance $z$, the real off-diagonal component $c$, and the imaginary off-diagonal component $s$. Under finite-shot sampling and depolarizing noise, external ablation identifies the extended 12-channel GHZ-relevant Pauli set from the 63 measurements, with exact top-12 recovery across the tested shot counts and depolarizing-noise strengths. These support patterns remain stable across multi-seed random-initialization and noise-level analyses, and collapse under random-label controls. The dominant pruned input-hidden-output pathways organize Z-type population observables and X/Y off-diagonal observables in a pattern consistent with the analytic GHZ Pauli grouping, and sparse formula recovery recovers the canonical signed Pauli relations. The contribution of the KAN is therefore pathway-level structural interpretability within a neural reconstruction model, rather than superior sparse regression. Together with negative controls, these probes provide a consistency chain for auditing learned reconstruction rules against known physical structure.

19.
arXiv (CS.AI) 2026-06-24

Toward Self-Evolution-Ready Workflow Harnesses: A Reversible Migration Path and Convertibility Taxonomy for Expert LLM Pipelines

arXiv:2606.24598v1 Announce Type: cross Abstract: While expert-validated "LLM + script" workflows deliver significant value, they remain static: they encode hard-won domain knowledge yet fail to adapt execution based on feedback. Existing agent research predominantly targets greenfield agents and synthetic benchmarks, leaving the migration of active legacy workflows unresolved. To bridge this gap, we present a reversible, Strangler-Fig migration path that refactors legacy workflows into composable, typed, and auditable stages. Central to this framework is a three-tier convertibility taxonomy (A/B/C), implemented as a routing stage within the system harness, which diagnoses a workflow's readiness and routes it accordingly.

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

Different Layers, Different Manifolds: Module-Wise Weight-Space Geometry in Transformer Optimization

arXiv:2606.13276v1 Announce Type: cross Abstract: Weight-space geometry plays a central role in neural network optimization, yet manifold constraints are often applied uniformly across all weight matrices. In this work, we ask whether different transformer modules prefer different manifold geometries. We study Manifold Muon for GPT-2 pretraining and compare layer-wise assignments of Stiefel and DGram constraints across attention and MLP blocks. Our results show a clear asymmetry: constraining attention layers with Stiefel geometry while assigning DGram geometry to MLP layers gives the best performance among the tested configurations, whereas the inverted assignment and all-DGram configuration become unstable under the shared hyperparameter setting. We trace this failure to singular value growth in DGram-constrained attention weights, which can amplify attention logits and induce softmax saturation. These findings suggest that symmetry-aware and geometry-aware optimization for transformers should be module-specific rather than uniform.

21.
arXiv (CS.CV) 2026-06-11

UI2Code^N: UI-to-Code Generation as Interactive Visual Optimization

UI-to-code aims to translate UI screenshots into executable front-end code. Despite progress with vision-language models (VLMs), most existing methods formulate UI-to-code as a single-pass generation, which mismatches real-world UI development that is inherently iterative and feedback-driven. We reformulate UI-to-code as an interactive visual optimization problem, where code generation is embedded in a closed-loop process of execution, visual inspection, and iterative refinement driven by rendered visual feedback. To address the non-differentiability of visual objectives and the noise of absolute visual evaluators, we propose Relative Visual Policy Optimization (RVPO), a preference-based reinforcement learning method that optimizes relative visual rankings among rendered candidates under execution feedback. We instantiate this paradigm in UI2Code^N, an open-source 9B model trained via continual pre-training, supervised fine-tuning, and reinforcement learning. Experiments demonstrate state-of-the-art performance on UI drafting, UI polishing, and UI editing benchmarks, even outperforming larger models, with performance consistently improving through iterative visual optimization. Our code and models are available at https://github.com/zai-org/UI2Code_N.

22.
arXiv (CS.LG) 2026-06-16

Tight Bounds for Logistic Regression with Large Stepsize Gradient Descent in Low Dimension

arXiv:2602.12471v2 Announce Type: replace Abstract: We consider the optimization problem of minimizing the logistic loss with gradient descent to train a linear model for binary classification with separable data. With a budget of $T$ iterations, it was recently shown that an accelerated $1/T^2$ rate is possible by choosing a large stepsize $\eta = \Theta(\gamma^2 T)$ (where $\gamma$ is the dataset's margin) despite the resulting non-monotonicity of the loss. In this paper, we provide a tighter analysis of gradient descent for this problem when the data is two-dimensional: we show that GD with a sufficiently large learning rate $\eta$ finds a point with loss smaller than $\mathcal{O}(1/(\eta \gamma^2 T))$, as long as $T \geq \Omega(n/\gamma + 1/\gamma^2)$, where $n$ is the dataset size. Our improved rate comes from a tighter bound on the time $\tau$ that it takes for GD to transition from unstable (non-monotonic loss) to stable (monotonic loss), via a fine-grained analysis of the oscillatory dynamics of GD in the subspace orthogonal to the max-margin classifier. We also provide a lower bound of $\tau$ matching our upper bound up to logarithmic factors, showing that our analysis is tight.

23.
arXiv (CS.CL) 2026-06-12

MDForge: Agentic Molecular Dynamics Pipeline Design under Sparse Simulator Feedback

Molecular dynamics (MD) is the canonical in-silico method for atomistic molecular science, simulating molecular behavior from first-principle physics. Designing an MD pipeline for a new system requires substantial expert knowledge: running it on even one molecule is expensive, ruling out trial-and-error. We automate this expert pipeline-design process with an LLM agent. Unlike existing MD agents that orchestrate a predefined tool set, we treat pipeline design as open-ended code generation in which the agent's behavior is reshaped online by verbal reward. Specifically, we build MDForge, an LLM agent whose in-context update rule densifies the sparse reward via a multi-agent debate among physics experts. On three SAMPL host-guest binding free-energy benchmarks, MDForge automatically designs MD pipelines competitive with human experts. Deployed on a library of unseen candidate guests, its CB[7] pipeline discovers a novel binder that wet-lab competition NMR confirms is a high-affinity, picomolar CB[7] binder. Our data and code are available at https://github.com/Zehong-Wang/MDForge.

24.
bioRxiv (Bioinfo) 2026-06-23

Learning interpretable structural similarity from tandem mass spectra for small molecule analog discovery

Analog discovery remains a central bottleneck in mass spectrometry-based untargeted metabolomics, as conventional spectral similarity scores poorly reflect molecular structure. We introduce SIMBA, a transformer-based model that infers two interpretable graph-based distances, maximum common edge subgraph and substructure edit distance, directly from tandem mass spectra. SIMBA consistently retrieves structurally closer analogs than existing methods, enabling structure-aware small molecule identification beyond exact spectral matching.

25.
arXiv (CS.CL) 2026-06-16

Compositional Reasoning Depth Predicts Clinical AI Failure: Empirical Evidence Consistent with Transformer Compositionality Limits in Electronic Health Record Question Answering

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Aggregate accuracy benchmarks conceal a systematic structure in how large language models fail at electronic health record (EHR) question answering: questions requiring more inferential steps produce disproportionately more errors. Motivated by theoretical results on transformer compositionality limits, we introduce a pre-specified hop-count taxonomy – the number of distinct reasoning steps required to answer a clinical question from an EHR – as a principled predictor of model failure. We annotate 313 clinician-generated MedAlign EHR question-answer pairs across four hop levels and evaluate 301 questions in a within-model ablation (claude-sonnet-4-6, zero-shot vs. extended thinking) and cross-architecture replications (gpt-4o and gpt-5.4-2026-03-05, zero-shot). All three models, spanning two providers and two OpenAI generations (GPT-4 and GPT-5), show monotone accuracy decline with hop count: Claude Sonnet zero-shot falls from 30.6% (hop=1) to 17.6% (hop=4) (Cochran-Armitage z=-2.30, p=0.011; OR per hop 0.72, 95% CI [0.56,0.92], p=0.008); GPT-4o replicates this (37.8% to 14.7%; OR 0.58 [0.45,0.75], p