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01.
arXiv (CS.CL) 2026-06-16

Revisiting the Systematicity in Negation in the Era of In-Context Learning

Understanding the meaning of negated sentences remains one of the challenges for language models, even in the era of large language models (LLMs). We analyze systematicity regarding LLM understanding of negation from two perspectives: behavioral systematicity and representational systematicity. For behavioral systematicity, we confirm that through demonstrations and in-context learning, LLMs can recognize negation expressions and scope within sentences to some extent, but they fail to achieve perfect performance. In particular, the difficulty of the negation scope recognition for models varies depending on the output format. For representational systematicity, we analyze the extent to which function vectors can be robustly constructed from in-context examples for tasks that are essential to understanding negation. The experiments suggest that while function vectors can be composed for negation cue extraction tasks, extracting function vectors for recognizing scope is more challenging.

02.
arXiv (CS.AI) 2026-06-11

Signed Compression Progress on a Sealed Audit is Goodhart-Resistant

arXiv:2606.11417v1 Announce Type: cross Abstract: Compression progress is a long-standing proposal for intrinsic motivation: reward an agent when its world model becomes better at predicting or compressing experience. The folk claim is that this reward is "credible" because it is paid only for learning. We make this precise and prove it. If intrinsic reward is the signed decrease of a fixed sealed-audit loss, r_t = E(theta_{t-1}) - E(theta_t), then cumulative reward telescopes exactly to endpoint audit improvement, so no policy can push reward up indefinitely while true audit performance stagnates or degrades. For finite audit panels the same result holds with a sharp false-positive budget: cumulative empirical reward is at most true audit improvement plus 2 Delta_n(F, delta), the uniform audit deviation of the model class. This is horizon-free: adaptivity over time costs nothing once the sealed panel uniformly controls the class. The theorem also identifies the failure modes: the guarantee disappears if progress is clipped, scored on the agent's own stream, exposed to a high-capacity model on a reusable panel, or applied to a neural class that makes Delta_n vacuous. We give a Lean 4 mechanization of the structural core (telescoping, the finite-audit bound, finite Gibbs, and the entropy floor) and an experiment suite on ARC-TGI grid-transformation generators with adaptive holdout attacks. Experiments confirm the theory: finite-audit deviation scales as n^{-0.527}; signed progress resists clip-farming, stream leakage, and noisy-TV curiosity; naive reusable audits are exploitable by black-box scalar feedback, while standard release defenses keep the attack below the 2 Delta_n threshold. Signed compression progress on a sealed audit is an accounting signal of genuine improvement.

03.
bioRxiv (Bioinfo) 2026-06-13

Testing the reliability of AI-generated protein structures

Although AlphaFold2 and its competitors have demonstrated remarkable abilities to predict protein structure, more work is needed to explore the limitations of these methods. Here we investigated the reliability of AlphaFold2 and ColabFold by creating a set of realistic but false protein sequences, using ColabFold to predict their structure, and then asking how often the program produces a high-scoring structure for a sequence that does not represent a protein. We determined that AlphaFold2 has a very small but non-zero false positive rate, estimated here at approximately 1 in 435 if one uses a threshold pLDDT score of 70 to define positive predictions. We also discovered, serendipitously, that some high-scoring sequences in the human genome were not false positives, but instead were previously unknown and un-annotated pseudogenes. These latter findings indicate that some well-established human annotations of protein-coding genes may have incorrectly extended the 5-prime untranslated regions too far. They also suggest that the false positive rate of AlphaFold2 is low enough that almost any high-scoring structure, even in a noncoding region, is worthy of further investigation.

04.
arXiv (CS.AI) 2026-06-17

When Life Gives You BC, Make Q-functions: Extracting Q-values from Behavior Cloning for On-Robot Reinforcement Learning

arXiv:2605.05172v2 Announce Type: replace-cross Abstract: Behavior Cloning (BC) has emerged as a highly effective paradigm for robot learning. However, BC lacks a self-guided mechanism for online improvement after demonstrations have been collected. Existing offline-to-online learning methods often cause policies to replace previously learned good actions due to a distribution mismatch between offline data and online learning. In this work, we propose Q2RL, Q-Estimation and Q-Gating from BC for Reinforcement Learning, an algorithm for efficient offline-to-online learning. Our method consists of two parts: (1) Q-Estimation extracts a Q-function from a BC policy using a few interaction steps with the environment, followed by online RL with (2) Q-Gating, which switches between BC and RL policy actions based on their respective Q-values to collect samples for RL policy training. Across manipulation tasks from D4RL and robomimic benchmarks, Q2RL outperforms SOTA offline-to-online learning baselines on success rate and time to convergence. Q2RL is efficient enough to be applied in an on-robot RL setting, learning robust policies for contact-rich and high precision manipulation tasks such as pipe assembly and kitting, in 1-2 hours of online interaction, achieving success rates of up to 100% and up to 3.75x improvement against the original BC policy. Code and video are available at https://pages.rai-inst.com/q2rl_website/

05.
arXiv (CS.CL) 2026-06-16

LESS Is More: Mutual-Stability Sampling for Diffusion Language Models

Diffusion large language models (dLLMs) offer a promising alternative to autoregressive decoding by iteratively refining masked sequences, enabling parallel token updates and bidirectional conditioning. Their practical efficiency, however, is limited by sampling procedures that execute a fixed number of reverse denoising steps selected before decoding, spending computation on already-stable positions and sometimes committing unstable ones too early. We present \textsc{LESS}, a training-free, model-agnostic adaptive sampler that treats token commitment as an online stopping problem. \textsc{LESS} implements mutual-stability sampling through a joint stability rule that makes a masked position eligible for unmasking only when its top-1 prediction has high confidence, its top-1 token persists across recent reverse steps, and its predictive distribution is stable under top-$K$ inter-step Jensen–Shannon divergence. We evaluate \textsc{LESS} on Dream-7B, LLaDA-8B, and LLaDA-1.5-8B, covering full-sequence diffusion and semi-autoregressive blockwise sampling regimes, across seven benchmarks spanning general knowledge, math, and code. \textsc{LESS} improves average accuracy over strong training-free adaptive samplers while using $72.1\%$ fewer reverse steps than fixed-budget decoding. Since each reverse step requires a Transformer forward pass, these step-count reductions translate into fewer forward evaluations, lower measured wall-clock latency, and lower estimated inference compute.

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

A Quantitative Experimental Repeated Measures Study of Training Dynamics in a Small Llama Style Language Model Under a Compute-Aware Token Budget

作者:

arXiv:2606.13370v1 Announce Type: new Abstract: This study examines training dynamics in a small Llama-style language model trained under a fixed, compute-constrained token budget. Rather than evaluating efficiency solely through endpoint performance, the study uses a quantitative experimental repeated measures design to analyze how validation loss, validation perplexity, rolling volatility, backslide behavior, spike behavior, and between-seed variability change across token-based training intervals. Six independent training runs were conducted on a 4.26-million-parameter model using the TinyStories corpus, CPU-based full-precision training, and a target budget of approximately 20 million cumulative training tokens. Metrics were collected across 21 intervals, producing 126 seed-by-interval observations. Repeated measures ANOVA showed statistically significant interval effects for validation loss, validation perplexity, and rolling volatility. Descriptive trajectories revealed rapid early improvement followed by non-monotonic degradation during later training intervals. Mean validation loss decreased from 8.3552 at initialization to 2.7996 near 4 million tokens, but increased to 3.9010 by the final checkpoint. Validation perplexity followed the same pattern, falling sharply early in training before rising later. Derived telemetry further showed recurrent validation-loss backslides and no interval-summary evidence of a stable phase under the predefined criteria. These findings suggest that compute-aware language model evaluation should examine training trajectories rather than endpoint metrics alone. In constrained compute settings, additional token exposure may increase computational cost without producing proportional generalization gains, and interval-level telemetry can reveal instability, regression, and diminishing returns that final metrics may obscure.

07.
arXiv (CS.CL) 2026-06-18

The Personalization Trap: How User Memory Alters Emotional Reasoning in LLMs

When an AI assistant remembers that Sarah is a single mother working two jobs, does it interpret her stress differently than if she were a wealthy executive? As personalized AI systems increasingly incorporate long-term user memory, understanding how this memory shapes emotional reasoning is critical. We investigate how user memory affects emotional intelligence in large language models (LLMs) by evaluating 15 models on human-validated emotional intelligence tests. We find that identical scenarios paired with different user profiles produce systematically divergent emotional interpretations. Across validated user-independent emotional scenarios and diverse user profiles, systematic biases emerged in several high-performing LLMs where advantaged profiles received more accurate emotional interpretations. Moreover, LLMs demonstrate significant disparities across demographic factors in emotion reasoning and supportive recommendations tasks, indicating that personalization mechanisms can embed social hierarchies into models' emotional reasoning. These results highlight a key challenge for memory-enhanced AI: systems designed for personalization may reinforce social inequalities. To mitigate these disparities, we curate a general-purpose preference dataset designed to reduce demographic profiles' influence on emotional understanding.

08.
arXiv (math.PR) 2026-06-15

Real-order moments, tail representations, and logarithmic means

arXiv:2606.14019v1 Announce Type: cross Abstract: This paper develops a unified framework for the study of real-order moments of arbitrary random variables. General integral representations are established in terms of cumulative distribution functions and survival functions, covering continuous, discrete, and mixed distributions supported on the whole real line. These formulas extend the classical tail-integral identities for nonnegative random variables and provide a common treatment of positive, fractional, and negative moments. For discrete distributions, explicit series representations are derived in terms of cumulative probabilities, yielding simple criteria for the existence of moments. Applications are presented for the zeta and Skellam distributions, illustrating how tail behavior determines moment finiteness and how moments can be represented geometrically through cumulative distribution functions. In addition, a representation for logarithmic moments is obtained, linking logarithmic means, Laplace transforms, and the classical Frullani identity. The results provide a unified perspective on moment representations and establish useful connections between tail probabilities, distribution functions, Laplace transforms, and moment existence.

09.
arXiv (CS.AI) 2026-06-16

Intelligence Is Not the Bottleneck: Validating an LLM First-Pass Manuscript Score Against Peer-Review Outcomes

arXiv:2606.15887v1 Announce Type: cross Abstract: Large language model (LLM) systems are increasingly proposed to assist peer review, yet most evaluations judge the prose of machine-generated review text, not the validity of the numeric score a system assigns. We validate AIPR, which reads a submitted manuscript and emits five 0-100 quality dimensions and a weighted overall score, against the public decision outcomes of a major machine learning venue. AIPR grades by prompting alone, with no fine-tuning on reviews or decisions. Across 300 ICLR submissions with public decision tiers and reviewer ratings, graded under a frozen pipeline with hypotheses pre-registered before any score met any outcome, the overall score separates rejected from accepted submissions (AUROC 0.82, 95% CI 0.78-0.87), rises monotonically across tiers, and tracks the mean reviewer rating. The signal is strongest where we claim it: the lowest-scoring fifth is rejected far above the base rate, with oral papers absent. The validity comes mostly from the model: a one-paragraph prompt on the same model discriminates almost as well as the full pipeline (the small gap favours the pipeline but does not meet the pre-declared criterion, p = 0.09). What the engineering adds is reliability and a grounded review: AIPR's score barely moves across repeated runs (0.7 vs. 2.8 points within-paper SD) where the bare prompt swings, and the same pass returns a rubric-structured, evidence-grounded review rather than a bare number, with the human keeping the decision.

10.
arXiv (CS.AI) 2026-06-16

When Generator Replay Degrades: Projected Rehearsal Orchestration for Heterogeneous Federated Class-Incremental Learning

arXiv:2606.15695v1 Announce Type: cross Abstract: Federated class-incremental learning (FCIL) becomes substantially harder when clients observe different label subsets, progress through tasks at different stages, and provide uneven supervision for the same semantic concepts. Existing FCIL methods often preserve old knowledge through input-space synthesis, but they can be fragile under heterogeneous task streams and difficult to transfer across modalities. To alleviate such issues, we propose PRO, a framework that replaces synthetic input replay with projected rehearsal orchestration. To remove external pretraining, we evaluate all methods under the same warmup. After this, PRO maintains compact class-level projected memories on the server and allows clients perform balanced pseudo multi-task training over current examples and old projected memories. To handle stronger representation drift, we further introduce PRO-MAX, which augments PRO with neighborhood-weighted memory alignment while preserving the same server-light principle that the server only aggregates model updates and memory statistics. Across image, text, and graph benchmarks, PRO and PRO-MAX improve retention and final utility under heterogeneous streams while remaining competitive in homogeneous FCIL. Even when baselines are given expanded replay budgets, they degrade under supervision imbalance and stage misalignment, indicating that replay quantity alone does not resolve replay-quality failures. Additional weak-task diagnostics further show that larger replay mismatch is associated with larger downstream degradation, while our method keeps projected memories better aligned with the evolving representation.

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

A CEFR-Inspired Classification Framework with Fuzzy C-Means To Automate Assessment of Programming Skills in Scratch

arXiv:2604.00730v2 Announce Type: replace-cross Abstract: Context: Schools, training platforms, and technology firms increasingly need to assess programming proficiency at scale with transparent, reproducible methods that support personalized learning pathways. Objective: This study introduces a pedagogical framework for Scratch project assessment, aligned with the Common European Framework of Reference (CEFR), providing universal competency levels for students and teachers alongside actionable insights for curriculum design. Method: We apply Fuzzy C-Means clustering to 2008246 Scratch projects evaluated via Dr.Scratch, implementing an ordinal criterion to map clusters to CEFR levels (A1-C2), and introducing enhanced classification metrics that identify transitional learners, enable continuous progress tracking, and quantify classification certainty to balance automated feedback with instructor review. Impact: The framework enables diagnosis of systemic curriculum gaps-notably a "B2 bottleneck" where only 13.3% of learners reside due to the cognitive load of integrating Logic Synchronization, and Data Representation–while providing certainty–based triggers for human intervention.

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

Understanding the Rejection of Fixes Generated by Agentic Pull Requests – Insights from the AIDev Dataset

arXiv:2606.13468v1 Announce Type: cross Abstract: AI coding agents are increasingly used to generate pull requests (PRs) that propose code fixes in software projects. From a first exploration of the AIDev dataset, we find that 46.41\% of the fixes proposed by the agents Copilot, Devin, Cursor, and Claude are rejected. This represents a significant amount of wasted resources that require human reviews, verifications, and running tests and validations for fixes that are merely discarded. Our goal in this paper is to understand the failure modes of AI-agents, an understanding that is crucial for better integrating AI-agents as efficient teammates. In this paper, we conduct a qualitative study on a representative sample of 306 non-merged pull requests created or co-authored by the agents mentioned earlier, followed by a quantitative analysis of the reasons for rejection. Our qualitative findings identify 14 reasons divided into four high-level categories for rejecting AI-agent fixes. We observe that developers can reject fixes due to fixes whose implementation is incorrect (e.g., incomplete, wrong approach), fixes that do not pass the continuous integration (CI) pipelines and fail tests, fixes for which the agent is unable to perform the implementation (e.g., no code generated, sessions lost), and fixes whose priority is low. Our results shed light on the importance of better guiding the model at these levels: (1) proposing hints about the approach to follow for fixing an issue, (2) outlining constraints or limitations regarding the approaches that should not be taken, and (3) instructing the agent on how to validate the implementation through CI pipelines and without introducing a breaking change. Our results suggest the need for good prioritization of tasks so that generated fixes do not lead to wasted human review efforts or wasted agent resources (e.g., tokens, compute, or allowed number of requests).

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

Grammar-Constrained Decoding Can Jailbreak LLMs into Generating Malicious Code

Large Language Models (LLMs) are increasingly used for code generation, raising concerns that they may be misused to produce malicious code. Meanwhile, Grammar-Constrained Decoding (GCD) has been widely adopted to improve the reliability of LLM-generated code by enforcing syntactic validity. In this paper, we reveal a counterintuitive risk: this reliability-oriented technique can itself become an attack surface. We uncover a new jailbreak attack, termed CodeSpear, that exploits GCD to induce LLMs into generating malicious code. Our experiments show that simply applying a benign code grammar constraint can effectively jailbreak LLMs. To address this vulnerability, we propose CodeShield, a safety alignment approach that robustly preserves safe behavior even under attacker-controlled grammar constraints. CodeShield aligns the model in the code modality by teaching it to generate honeypot code under GCD. Such code is semantically harmless, so it does not implement the malicious request, and structurally diverse, so it is difficult to suppress through grammar tightening. At the same time, CodeShield still preserves natural-language refusals when natural language is available. Experiments on 10 popular LLMs across 4 benchmarks show that CodeSpear outperforms representative jailbreak baselines and increases the attack success rate by more than 30 percentage points on average. CodeShield also restores safety under CodeSpear while preserving benign utility. Our findings reveal a fundamental risk of GCD and call for greater attention to its potential security implications.

14.
arXiv (CS.LG) 2026-06-16

Learning Topological Representations for Molecular Dynamics

arXiv:2606.14737v1 Announce Type: cross Abstract: Molecular dynamics (MD) simulations generate trajectories in a high-dimensional configuration space whose analysis critically depends on molecular descriptors, typically handcrafted observables or learned kinetic embeddings. Designing descriptors that are both expressive and broadly applicable, however, remains challenging. We study persistent homology (PH) as a general-purpose representation for MD and introduce the masked Flood complex, a protein-tailored modification of a recently introduced simplicial complex construction that emphasizes inter-residue structure at low computational cost. Vectorized persistence diagrams then provide information-rich, geometry-aware summaries of protein conformations, which we evaluate on protein class prediction, frame-level observable regression, and Markov state model (MSM) estimation from learned low-dimensional coordinates in a single shared representation space. Results on the mdCATH dataset show that PH-based descriptors are competitive across tasks, with masked Flood PH yielding the most consistent overall performance. Further, when using topologically-informed MSMs as a drop-in replacement within the recent MarS-FM framework for generative modeling of protein conformations, we obtain consistently better ensemble statistics than MSMs based on physical observables. Finally, we explore the transferability of the generative model to qualitatively different, fast folding, proteins.

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

Membership Inference Attacks against Large Audio Language Models

arXiv:2603.28378v2 Announce Type: replace-cross Abstract: We present the first systematic Membership Inference Attack (MIA) evaluation of LALMs. Using Multi-modal Blind Baselines based on textual, spectral and prosodic features, we demonstrate that common audio datasets exhibit near-perfect train/test separability (AUC ~ 1.0) even without model inference, thus MIA may primarily detect distribution shift. We therefore introduce a blind-baseline protocol to control for this confound. Under this protocol, we identify that the distribution-matched datasets enable reliable MIA evaluation without distribution-shift artifacts. We benchmark multiple MIA methods and conduct modality disentanglement experiments on these datasets. The results reveal that LALM memorization is cross-modal, arising only from binding a speaker's vocal identity with its text. These findings establish a principled standard for auditing LALMs beyond spurious correlations. Our codebase is available at https://github.com/snooow1029/ALM_MIA.

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

Recognizing and Reconstructing a Multi-Unit Floor Plan

Digital twins have a major potential to form a significant part of urban management in emergency planning, as they allow more efficient designing of the escape routes, better orientation in exceptional situations, and faster rescue intervention. Nevertheless, creating the twins still remains a largely manual effort, due to a lack of 3D-representations, which are available only in limited amounts for some new buildings. Thus, in this paper we aim to synthesize 3D information from commonly available 2D architectural floor plans. We propose two novel pixel-wise segmentation methods based on the MDA-Unet and MACU-Net architectures with improved skip connections, an attention mechanism, and a training objective together with a reconstruction part of the pipeline, which vectorizes the segmented plans to create a 3D model. The proposed methods are compared with two other state-of-the-art techniques and several benchmark datasets. On the commonly used CubiCasa benchmark dataset, our methods have achieved the mean F1 score of 0.86 over five examined classes, outperforming the other pixel-wise approaches tested. We have also made our code publicly available to support research in the field.

17.
arXiv (CS.AI) 2026-06-19

Bridging Distribution Shift and AI Safety: Conceptual and Methodological Synergies

arXiv:2505.22829v2 Announce Type: replace-cross Abstract: This paper bridges distribution shift and AI safety through a comprehensive analysis of their conceptual and methodological synergies. While prior discussions often focus on narrow cases or informal analogies, we establish two types connections between specific causes of distribution shift and fine-grained AI safety issues: (1) methods addressing a specific shift type can help achieve corresponding safety goals, or (2) certain shifts and safety issues can be formally reduced to each other, enabling mutual adaptation of their methods. Our findings provide a unified perspective that encourages deeper integration between distribution shift and AI safety research.

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

Convex Approximation of Two-Layer ReLU Networks for Hidden State Differential Privacy

arXiv:2407.04884v4 Announce Type: replace Abstract: The hidden state threat model of differential privacy (DP) assumes that the adversary has access only to the final trained machine learning (ML) model, without seeing intermediate states during training. However, the current privacy analyses under this model are restricted to convex optimization problems, reducing their applicability to multi-layer neural networks, which are essential in modern deep learning applications. Notably, the most successful applications of the hidden state privacy analyses in classification tasks have only been for logistic regression models. We demonstrate that it is possible to privately train convex problems with privacy-utility trade-offs comparable to those of 2-layer ReLU networks trained with DP stochastic gradient descent (DP-SGD). This is achieved through a stochastic approximation of a dual formulation of the ReLU minimization problem, resulting in a strongly convex problem. This enables the use of existing hidden state privacy analyses and provides accurate privacy bounds also for the noisy cyclic mini-batch gradient descent (NoisyCGD) method with fixed disjoint mini-batches. Empirical results on benchmark classification tasks demonstrate that NoisyCGD can achieve privacy-utility trade-offs on par with DP-SGD applied to 2-layer ReLU networks.

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

GDGU: A Gradient Difference-based Graph Unlearning Method for Cyberattack Localization in Electric Vehicle Charging Networks

arXiv:2606.19566v1 Announce Type: cross Abstract: Electric vehicle charging stations (EVCSs) can expose distribution feeders to cyberattacks. While machine learning methods, including graph neural networks, can localize which bus is compromised, significant challenges remain in data sharing and model training. For example, privacy regulations grant EVCS owners the right to delete their training data from a deployed model, yet retraining from scratch on every request is computationally prohibitive. To address this, we study graph unlearning (GU) for EVCS cyberattack localization, formulated as a feature-level unlearning problem on a graph-level multi-label classification task. Specifically, we propose gradient difference-based graph unlearning (GDGU), which removes the influence of the requested deletion data through a first-order parameter correction. The correction is computed from the gradient difference between the original training data and a modified dataset in which only the charging power features at the requested EVCS buses are unlearned. Then, a batch-normalization recalibration and a brief recovery fine-tuning step are applied to restore localization utility. We benchmark GDGU against two second-order GU baselines on the IEEE 34-bus, 123-bus, and 8500-node distribution networks across three graph neural network backbones and cumulative unlearning scenarios. GDGU matches the strongest baseline on localization utility and reaches forgetting fidelity close to full-retraining, while unlearning 10 to 12 times faster than retraining from scratch and using far less memory than the second-order GU baselines.

20.
arXiv (CS.CV) 2026-06-11

RSTR: Reducing SpatioTemporal Redundancy in Diffusion Transformers

Diffusion Transformers (DiTs) have achieved remarkable success in image generation, yet their deployment is hindered by high computational costs. We identify two sources of redundancy. First, temporal redundancy: Classifier-Free Guidance (CFG) applies costly dual forward passes at every timestep, yet guidance matters only at specific steps, and variable scales at critical steps can compensate for skipping others. Second, spatial redundancy: under variable guidance, different transformer blocks exhibit heterogeneous sensitivity, yet uniform calibration across all blocks wastes computation while failing to address their varying requirements. We present RSTR, the first framework to jointly reduce spatiotemporal redundancy in diffusion transformers. Stage-1 addresses temporal redundancy through evolutionary search, discovering sparse guidance schedules with variable scales. Stage-2 addresses spatial redundancy through adaptive rank allocation, assigning calibration capacities to transformer regions based on their sensitivity. Experiments on DiT-XL/2, PixArt-$\alpha$, FLUX, and state-of-the-art Qwen-Image demonstrate 50%-70% compute savings while maintaining or improving quality. On DiT-XL/2, RSTR achieves 57% savings with 15% FID improvement; on Qwen-Image, 3.43$\times$ speedup with preserved quality.

21.
arXiv (CS.AI) 2026-06-19

eCNNTO: A Highly Generalizable ConvNet for Accelerating Topology Optimization

arXiv:2606.19921v1 Announce Type: new Abstract: This work proposes an element-based Convolutional Neural Network (CNN) to accelerate density-based Topology Optimization (TO), termed eCNNTO. TO generally undergoes a large number of iterations, where finite element analysis is performed in every iteration, leading to the efficiency bottleneck especially when dense meshes are used to achieve high-resolution designs. To address this limitation, eCNNTO is proposed to build upon Kallioras et al. (2020), where a Deep Belief Network (DBN) was trained for every element to predict its near-optimal density from its early history, thereby skipping the great majority of iterations and significantly accelerating the TO procedure. However, the method lacks spatial correlations among neighboring elements and may lead to disconnected features in the final structure. The proposed method employs CNN with residual connections to address this issue. On top of it, a novel training strategy is introduced to further enhance the optimization efficiency, where the training dataset consists of the final stage density histories rather than early ones. This change can also help reduce the required training data size. eCNNTO requires only a small dataset to train and yet it can be generalized to problems with largely different boundary conditions, loading cases, design domain geometries, mesh resolutions, as well as non-design domains. In the end, the generalization capabilities and efficiency of eCNNTO are demonstrated through a variety of examples in two and three dimensions, achieving up to 90% and 97% reduction of iterations, respectively.

22.
Nature (Science) 2026-06-17

Cucurbituril-based anion-conducting membranes with supramolecular nanopores

作者:

Nanoporous anion-conducting membranes have gained considerable interest for their potential to reduce resistance in electrochemical devices1–4. Current pore-forming methods, such as backbone engineering through polymers of intrinsic microporosity5,6 or covalent organic and metal–organic frameworks7,8, however, suffer from limited structural control, mechanical fragility or demanding synthesis. Here we establish a supramolecular strategy that overcomes these limitations by constructing uniform, dynamic nanopores. Co-assembly of the rigid macrocyclic host cucurbit[7]uril with the cationic polymer guest quaternized poly(piperidinium-terphenyl) yields a robust network of nanometre-scale channels while simultaneously enhancing mechanical and chemical stability. The dynamic host–guest interactions allow the pore structure to fluctuate on picosecond and angstrom scales. This transient environment supports low-friction hydroxide migration through a Grotthuss mechanism, producing a marked enhancement in ionic conductivity. This bottom-up design principle provides a versatile new tool for molecularly engineering transport pathways and promises to advance electrochemical reactors with respect to energy efficiency, operational stability and the production of high-purity products. A supramolecular strategy, in which uniform, dynamic nanopores are constructed, overcomes the limitations of limited structural control, mechanical fragility or demanding synthesis in nanoporous anion-conducting membranes, providing a versatile tool for molecularly engineering transport pathways.

23.
bioRxiv (Bioinfo) 2026-06-16

AutoZyme: An Autonomous Agentic Framework to Optimize Bioinformatics Software

Performance bottlenecks in widely used genomics and bioinformatics software present a substantial and growing burden as biological datasets continue to increase in size and number. Relieving these bottlenecks relies largely on expert manual optimization and therefore remains difficult to scale. Here we present AutoZyme, an agentic framework for scientific software optimization. Given a target function, AutoZyme builds benchmarks, identifies bottlenecks, and iteratively tests code changes, retaining only those that improve runtime while preserving output. We evaluated AutoZyme on 45 functions, improving runtime without substantial memory increases in over 95% of cases considered. Across 38 functions from Seurat, Scanpy and related packages in genomics and bioinformatics, AutoZyme reduced runtime by a median of 8.52-fold, with the largest reductions exceeding 676-fold. The optimized functions are distributed through AutoZyme-Library as drop-in replacements for existing analysis pipelines. We also release AutoZyme as a reusable framework for optimizing additional user-specified packages and functions.

24.
arXiv (CS.AI) 2026-06-18

Data Intelligence Agents: Interpreting, Modeling, and Querying Enterprise Data via Autonomous Coding Agents

arXiv:2606.19319v1 Announce Type: cross Abstract: Production data integration is bottlenecked by repeated, lossy handoffs between data owners, engineers, and analysts who must collaboratively discover, structure, and query enterprise data. We present Data Intelligence Agents (DIA), a system of three agents (Data Interpreter, Schema Creator, and Query Generator) that compresses this workflow by treating autonomous coding agents (ACAs) as a first-class abstraction: rather than emitting text, the agents generate, execute, validate, and repair concrete artifacts, draw on a shared memory for experience reuse, and surface each for review by domain experts. DIA is deployed in production for enterprise customers. We study the Query Generator in depth and evaluate it in fully autonomous mode across seven SQL benchmarks spanning four task categories and four dialects. It matches or surpasses the best published results on all seven, demonstrating that an architecture grounded in execution, built on ACAs and a shared memory, generalizes across the data intelligence workload with adaptation confined to natural-language instructions.

25.
arXiv (CS.CL) 2026-06-12

Unraveling Syntax: Language Modeling and the Substructure of Grammars

While language models achieve impressive results, their learning dynamics are far from understood. Many domains of interest – such as natural language syntax, coding languages, arithmetic – are captured by context-free grammars (CFGs). In this work, we extend prior work on neural language modeling of CFGs in a novel direction: how language modeling behaves with respect to CFG substructure, namely subgrammars. We define subgrammars, and prove a set of fundamental theorems connecting language modeling and subgrammars. We show that language modeling loss recurses linearly over its top-level subgrammars; applied recursively, the loss decomposes into losses for "irreducible" subgrammars. Under additional assumptions, and empirically, parametrized models learn subgrammars in parallel, unlike children who first master simple substructures. We find that subgrammar pretraining can improve final performance, but only for tiny models relative to the grammar, while alignment analyses show that pretraining consistently leads to internal representations that better reflect the grammar's substructure.