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

Mean-Field Parallel Decoding for Discrete Diffusion Language Models

arXiv:2606.15805v1 Announce Type: new Abstract: Discrete diffusion language models enable parallel token generation, offering a pathway to low-latency decoding. However, selecting tokens independently by marginal confidence limits effective parallelism: tokens that appear reliable in isolation can form incompatible configurations when several positions are updated at once. We introduce a training-free decoding framework that coordinates these parallel updates. At each forward pass, the method assigns a commit score to each masked position and refines these scores using pairwise interactions derived from the model's predictive distributions. A variational relaxation yields a simple fixed-point update that suppresses conflicting simultaneous commitments within a single forward pass. This mechanism allows the decoder to commit more tokens in parallel while maintaining competitive generation quality. The method is lightweight, requires no auxiliary model or retraining, and drops into existing diffusion decoding pipelines without modification. Experiments on reasoning and code-generation benchmarks show consistent improvements in the quality-latency trade-off.

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

Spokes: Optimizing for Diverse Pretraining Data Selection

Diversity plays a critical role in data selection, improving performance under fixed data budgets by reducing redundancy and repetition. However, optimizing for diversity is inherently challenging, as it is a set-level property that depends on interactions between data points rather than individual examples. As a result, existing approaches typically rely on proxies or approximations, which often fail to ensure sufficiently diverse subsets. In this work, we directly optimize diversity by introducing a probabilistic diversification framework based on the G-Vendi score, optimized via exponentiated gradient descent. Our method produces subsets that are substantially more diverse than those obtained via random sampling, achieving a +489 increase in G-Vendi score on a 500k-sample subset. We evaluate our approach on FineWeb and DCLM, where it consistently outperforms existing methods. Notably, SPOKES (diversity-only) improves average downstream performance by +0.4 and +0.5 points over random sampling on DCLM and FineWeb, respectively. More importantly, jointly optimizing for both quality and diversity yields the strongest results: SPOKES achieves gains of +1.5 and +1.4 points on DCLM and FineWeb, outperforming all baselines, including semantic deduplication and quality filtering.

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

From Awareness to Adherence: Bridging the Context Gap in Spoken Dialogue Systems via Context-Aware Decoding

Despite the success of end-to-end (E2E) spoken dialogue systems, maintaining strict context adherence in multi-round conversations remains a challenge. While prior works attribute these failures to models forgetting dialogue history, we highlight an equally critical but overlooked bottleneck: a gap between latent context awareness and active adherence. Although models internally recognize relevant past utterances, strong parametric priors often overshadow these signals during decoding. To bridge this gap, we propose an audio-adapted Context-Aware Decoding (CAD) approach. By leveraging internal attention mechanisms to isolate key historical rounds, our approach contrasts output distributions with and without this key context during inference, directly amplifying multimodal contextual signals. Evaluations on the Audio MultiChallenge benchmark demonstrate significant improvements in Semantic Memory and Self Coherence subtasks, successfully enforcing strict, context-faithful adherence.

04.
arXiv (CS.AI) 2026-06-15

Squeeze-Release: Iterative Pruning with Exact Structural Minimization

arXiv:2606.14346v1 Announce Type: cross Abstract: Unstructured pruning produces sparse weight tensors, but the standard implementation keeps tensor shapes unchanged so the deployed model is no smaller than before pruning. We present an exact structural rewrite, which we call minimization, that converts a masked network into a smaller dense network with the same forward function up to floating-point rounding. The Squeeze-Release cycle iterates pruning and minimization with an intermediate release step that re-enables the exact-zero positions inside the compacted tensors as small calibrated noise, turning otherwise wasted capacity back into trainable parameters. Successive cycles use that capacity to find structural redundancy a single pass cannot reach. We additionally introduce CompensatedLayerNorm, a function-preserving replacement for LayerNorm that extends minimization to channel reduction across LayerNorm-equipped residual streams. Squeeze-Release compresses the deployable network to 39x smaller than the unpruned model on a fully-connected model network and 14.8x smaller on modern CNN (ConvNeXt-Tiny), at comparable accuracy. In addition we prove that the rewrite can be extended to transformer architectures.

05.
PLOS Medicine 2026-05-11

Connected or chained by social media? Child and adolescent mental health in a digital era

作者:

by Silja Kosola Social media has evolved from connection to compulsion, disproportionately harming children and adolescents. Addictive designs together with developmental vulnerability fuel mental health risks and highlight the urgent need for stricter age limits and stronger protections. In this Perspective, Silja Kosola outlines how social media disproportionately harms child and adolescent mental health, and argues that while recent policy changes aimed at protecting youth from social media are welcome, stricter age limits and greater accountability of social media companies are needed.

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

GRASP: Gradient-Aligned Sequential Parameter Transfer for Memory-Efficient Multi-Source Learning

arXiv:2606.14900v1 Announce Type: new Abstract: Multi-source transfer learning faces a fundamental scalability bottleneck: existing approaches require either loading all K source models into memory simultaneously during parameter fusion, requiring O(K) memory, or deploying all models at inference time, making production deployment infeasible. We propose GRASP (Gradient-Aligned Sequential Parameter Transfer), which achieves superior knowledge integration while maintaining O(1) memory consumption through three key innovations: (1) sequential processing that merges one source at a time into an evolving target model, (2) parameter-wise gradient alignment that selectively transfers only parameters whose optimization directions align with the target domain, avoiding negative transfer, and (3) iterative fine-tuning that adapts transferred knowledge before integrating the next source. Extensive experiments across three continual learning benchmarks (Yearbook, CLEAR-10, CLEAR-100) spanning 10 to 108-year temporal distribution shifts and four architectures (1.3M to 25.6M parameters) demonstrate that GRASP achieves 93.5% mean accuracy over all datasets and architectures compared to ensemble method's 71.7% accuracy while requiring only constant memory versus K models for standard multi-source fusion. Critically, GRASP's sequential previously merged models and scales to arbitrarily many sources without memory growth, making it uniquely suitable for resource-constrained deployment and continually evolving source domains.

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

FlowMPC: Improving Flow Matching policies with World Models

arXiv:2606.16286v1 Announce Type: cross Abstract: Flow Matching (FM) is a powerful approach for behavior cloning in multimodal action spaces [Jiang et al., 2025], but because it is not trained to directly maximize expected return, there is still room to improve how FM policies act at test time. This work investigates whether a learned world model can improve FM policies by enabling Model Predictive Path Integral (MPPI) planning over candidate action sequences proposed by the policy. Building on TD-MPC2 [Hansen et al., 2024], I introduce FlowMPC, a framework that combines an imitation-learned FM policy with a learned world model for test-time planning in ManiSkill manipulation tasks [Tao et al., 2025]. Across PickCube and PickSingleYCB, adding the world model improved performance over the FM policy alone, with especially clear gains in end-of-episode success. These results suggest that world-model-based planning can effectively complement flow-based imitation policies without modifying the FM training objective.

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

FP8 is All You Need (Part 1): Debunking Hardware FP64 as the HPC Holy Grail (June 13th version)

arXiv:2606.06510v2 Announce Type: replace-cross Abstract: Conventional HPC holds that native hardware FP64 is the irreducible foundation of scientific computing. On AI-optimized GPUs of the NVIDIA B300 generation and beyond, native FP64 throughput has collapsed to ~1.3 TFLOPS even as FP8 tensor throughput has grown to multiple PFLOPS. We argue something stronger than that this is survivable: the FP8 tensor-core matrix-multiply is the sole computational primitive on which double-precision scientific computing needs to be built. Every canonical kernel – dense and sparse linear algebra, spectral transforms, stencils – and every application composing them reduces, via the Chinese Remainder Theorem-based Ozaki Scheme II, to sequences of FP8 matrix operations; the only non-FP8 arithmetic is a bounded, fixed-width integer accumulation at reconstruction. Native FP64 is thereby demoted from a hardware requirement to a derived accuracy guarantee obtained by composition over the FP8 primitive. We organize the claim as a five-layer hierarchy – the FP8 op, Ozaki II, the basic kernels or Berkeley "dwarfs", composite solvers, and full applications – and, because the dwarf taxonomy already spans scientific computing, establish it by exhibiting the reduction for every dwarf rather than a sample. The claim is falsifiable, and we build the instrument that tests it: a Tensor-Memory Equilibrium (TME) model extending the Roofline with emulation parameters (alpha, beta, gamma). We identify register-level fusion as the mechanism that keeps emulation memory-bound, project recovered FP64 performance across B300 and Rubin against an H100 baseline, and close the kernel coverage with a companion FFT analysis and compensated reductions. The model could have returned a negative verdict; instead it passes across the dwarfs and their compositions. This is the analytical half of a two-part program, with a follow-on implementation to validate the thesis on real silicon.

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

Pareto Q-Learning with Reward Machines

arXiv:2606.19134v1 Announce Type: cross Abstract: We present Pareto Q-Learning with Reward Machines (PQLRM), a multi-objective reinforcement learning algorithm for tasks whose reward structure is specified by a set of reward machines (RMs). PQLRM combines Pareto Q-Learning (PQL), which maintains sets of vector-valued Q-estimates to approximate the Pareto front, with enhancements from Q-Learning with Reward Machines (QRM), which exploits the factored automaton structure of the reward signal. This yields a multi-policy algorithm that remains sample-efficient under non-Markovian, RM-encoded rewards. Experimental trials show that PQLRM converges faster than a naive PQL baseline applied to the cross-product MDP and can synthesize Pareto-optimal policies that QRM cannot.

10.
arXiv (CS.AI) 2026-06-18

As You Wish: Mission Planning with Formal Verification using LLMs in Precision Agriculture

arXiv:2606.18519v1 Announce Type: cross Abstract: Though robotic systems are now being commercialized and deployed in various industries, many of these systems are highly specialized and often require an advanced skill set to operate and ensure they perform as instructed. To mitigate this problem, we recently introduced a mission planner leveraging LLMs to synthesize mission plans in precision agriculture based on mission descriptions provided in natural language. While the system demonstrates impressive performance, it also suffers from the inherent ambiguities of natural language. In this paper, we extend our system to address this issue by introducing multiple feedback loops in the planning architecture that leverage linear temporal logic (LTL) to ensure the mission planning system meets the specifications formulated by the user while still using natural language. To mitigate potential bias, this is achieved by using two different commercial LLMs in charge of the specification and verification subtasks. Through extensive experiments, we highlight the strengths and limitations of integrating mission verification into a fully autonomous pipeline, particularly regarding an LLM's ability to generate valuable LTL formulas, and show how our proposed implementation addresses and solves these challenges.

11.
arXiv (math.PR) 2026-06-16

Joint convergence in Wiener chaos via transport hierarchy and Malliavin covariances

arXiv:2606.14812v1 Announce Type: new Abstract: We study the joint convergence in distribution of a sequence $X_N = I_p(f_N)$ of multiple Wiener–Itô integrals of order $p\geq 2$ that converges to a Gaussian limit $Z\sim N(0,\sigma^2)$, together with another sequence $Y_N = I_q(g_N)$ converging in law. The central finding is that the joint convergence of $(X_N, Y_N)$ is completely governed by the asymptotic behavior of the iterated Malliavin covariances $Y_{r+1,N} = \langle DX_N, DY_{r,N}\rangle_H$, $r\geq 0$: joint convergence holds as soon as these covariances converge jointly with $Y_N$, and the structure of the limiting distribution is then explicitly determined by their limits. Moreover, the convergence of the Malliavin covariances is necessary for joint convergence, as shown by a counterexample. When $q

12.
medRxiv (Medicine) 2026-06-15

Entity-Aware Generation of Synthetic Clinical Progress Notes for Prostate Cancer using Large Language Model

Objectives: This study investigates large language models (LLMs) for clinical entity projection across substantial textual transformation. Specifically, we evaluate whether entities annotated in Spanish prostate cancer case reports can be preserved and explicitly projected when the source narratives are transformed into hospital-style clinical progress notes. Entity projection is treated as a generation-driven task, allowing paraphrase, condensation and narrative reorganisation, providing that clinically relevant entities remain recoverable as structured annotations. Methods: A corpus of 109 Spanish prostate cancer case reports was annotated using a silver-standard pipeline combining Spanish biomedical named-entity recognition with rule-based prostate-specific antigen (PSA) and Gleason extractors. The resulting silver-standard annotations were validated on a subset of generated notes against a gold-standard consensus produced by medical experts in prostate cancer. Four LLMs were evaluated for note generation and entity projection: GPT-5.4 Nano, Qwen 3.5:35B-A3B, GLM5 and Claude Sonnet 4.6. Entity-to-Entity (E2E) generation used XML-annotated cases as RAG-supported input, whereas Text-to-Entity (T2E) generation required models to generate and annotate notes directly from plain text cases. Zero-shot and few-shot prompting were tested. Projection quality was measured using precision, recall and F1-score, and complemented by LLM-as-a-judge evaluation using Kimi K2.6. Results: E2E consistently outperformed T2E, indicating that explicit entity-enriched in- put substantially facilitates entity preservation and localisation. GLM5 achieved the best E2E zero-shot result (F1 = 0.915), followed by Claude Sonnet 4.6 (F1 = 0.896). In T2E, few-shot prompting improved performance, with Claude Sonnet 4.6 reaching the highest score (F1 =0.718). Age, Gleason, Disease, Procedure, Duration and negation-related entities were robustly projected, whereas PSA and Dose showed less stable behaviour. Conclusion: LLMs can generate clinically plausible synthetic prostate cancer evolution notes while preserving a substantial proportion of source entities, particularly when explicit semantic annotations are provided as input. However, the lower and more variable performance observed in T2E highlights the difficulty of jointly generating clinical narratives and projecting entities without source-side information, especially for numerical and measure-related entities.

13.
medRxiv (Medicine) 2026-06-12

Genome-wide association and multi-omics functional screens reveal the genetic architecture of foveal development

Foveal hypoplasia causes visual impairment across congenital eye disorders, yet the genetic programmes governing foveal development remain poorly characterised and no tractable model exists for foveal disease. In the first genome-wide association study of foveal hypoplasia, we identified 42 sentinel variants mapping to 54 effector genes supported by >= 2 criteria from a variant-to-gene framework incorporating developmental multi-omics. Disruption of six effector genes using mutant lines and CRISPR knockouts in the zebrafish high acuity zone recapitulates structural, functional, and ultrastructural hallmarks of foveal hypoplasia, establishing the first vertebrate disease model. Integration with human foetal single-cell and spatial transcriptomics reveals two temporal waves of effector gene expression and identifies Muller glia as critical mediators of foveal patterning. Phenome-wide analyses reveal foveal variants are pleiotropic with refractive, lenticular, and metabolic traits, connecting foveal development to anterior segment and systemic disease biology. These findings should inform mechanistic studies of macular disease.

14.
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.

15.
arXiv (CS.LG) 2026-06-19

Off-Policy Evaluation for Missingness-Aware Policies in MDPs with Rewards Missing Not at Random

arXiv:2606.20206v1 Announce Type: cross Abstract: In offline Reinforcement Learning, immediate rewards in logged batch data are often unobserved due to sparse or irregular record-keeping, or censored beyond certain reward values. This issue arises in practical settings, including health care and marketing. We investigate off-policy evaluation (OPE) in finite-horizon Markov decision processes when rewards are missing not at random (MNAR), which breaks ignorability and induces selection bias even after conditioning on states and actions. To address this, we formalize a reward-dependent propensity model and use future states as shadow variables to identify the full-data conditional mean reward. We further introduce a bridge function that recovers the conditional mean reward without explicitly modeling the MNAR mechanism, and estimate it via a min-max procedure to avoid double sampling. Building upon these identification results, we propose an Fitted-Q-Evaluation-style estimator that propagates the recovered rewards while allowing target policies to depend on past missingness indicators. Finally, we establish consistency and finite-sample error bounds for our OPE estimator, and show through experiments the strong performance of our method compared to existing methods on simulated and MIMIC-III Sepsis data.

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

An RRAM-based Hardware Implementation of a Radial Basis Function Neuron for Edge Classifiers

arXiv:2606.14739v1 Announce Type: cross Abstract: The deployment of modern machine learning (ML) solutions on resource-constrained edge devices highlights implementation challenges. This is especially true for extreme edge applications that include safety-critical components, such as autonomous navigation tasks. This paper demonstrates an artificial neural network (ANN) design leveraging Metal-Oxide Resistive RAM (RRAM) -based Analogue Content Addressable Memory (ACAM) as an efficient hardware substrate for performing metric-based classification and online adaptation on the edge. The proposed design is based on a custom Template piXeL (TXL) cell used for building the ACAM module, where each TXL cell acts as a configurable receptive field neuron. These cells employ a Radial Basis activation function to calculate the distance of an input from the programmed receptive field. The TXL can be organised into dense arrays for calculating the distance of a high-dimensional input against all stored prototypes, effectively performing fast and energy efficient similarity search. This hardware engine enables on-the-fly learning, where the receptive field parameters can be tuned to track domain shift. Through simulation of the proposed TXL-RBF classifier we can achieve 89.1\% accuracy on the MNIST dataset while consuming 185fJ per cell per operation when operating at 100MHz.

17.
arXiv (CS.LG) 2026-06-11

Minimal surfaces, Knots, and Neural Networks

arXiv:2605.26234v2 Announce Type: replace-cross Abstract: A recent conjecture by Joel Fine posits a relationship between the coefficients of the HOMFLY polynomial of a knot $K$ in the 3-sphere $S^3$, and the signed count of minimal surfaces in hyperbolic 4-space $\mathrm{H}^4$ meeting the sphere at infinity at $K$, with prescribed genus and self-intersection number. In this paper, we develop a novel machine learning framework based on Physics-Informed Neural Networks (PINNs) to solve the minimal surface equation in hyperbolic space. We utilise this framework to test Fine's Conjecture by constructing near-minimal surfaces bounding various families of knots in $S^3$. Furthermore, we develop an algorithmic method to find self-intersections and compute their sign. For every knot analysed, the computationally discovered minimal surfaces and their self-intersection numbers perfectly align with the predictions of Fine's Conjecture, providing empirical evidence for it.

18.
arXiv (CS.LG) 2026-06-19

A High-Resolution Landscape Dataset for Concept-Based XAI With Application to Species Distribution Models

arXiv:2604.13240v2 Announce Type: replace-cross Abstract: Mapping the spatial distribution of species is essential for conservation policy and invasive species management. Species distribution models (SDMs) are the primary tools for this task, serving two purposes: achieving robust predictive performance while providing ecological insights into the driving factors of distribution. However, the increasing complexity of deep learning SDMs has made extracting these insights more challenging. To reconcile these objectives, we propose the first implementation of concept-based Explainable AI (XAI) for SDMs. We leverage the Robust TCAV (Testing with Concept Activation Vectors) methodology to quantify the influence of landscape concepts on model predictions. To enable this, we provide a new open-access landscape concept dataset derived from high-resolution multispectral and LiDAR drone imagery. It includes 653 patches across 15 distinct landscape concepts and 1,450 random reference patches, designed to suit a wide range of species. We demonstrate this approach through a case study of two aquatic insects, Plecoptera and Trichoptera, using two Convolutional Neural Networks and one Vision Transformer. Results show that concept-based XAI helps validate SDMs against expert knowledge while uncovering novel associations that generate new ecological hypotheses. Robust TCAV also provides landscape-level information, useful for policy-making and land management. Code and datasets are publicly available.

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

GLARE: A Natural Language Interface for Querying Global Explanations

arXiv:2606.19735v1 Announce Type: new Abstract: While global explanations are crucial for understanding vision models across datasets, classes, and decision contexts, their complex and monolithic nature often hinders practical exploration. Because users typically seek targeted answers to specific questions rather than static artifacts, we present an LLM-based interactive interface that provides natural language access to global explanations for black-box image classifiers. The system's core LLM acts as a mediator, translating natural language questions into structured SQL queries over local explanation data. This enables flexible aggregation without exposing users to low-level representations. For each query, the interface outputs statistics-augmented natural language responses, supporting local explanations, and intent-aligned visualizations. We evaluate the system on intent interpretation, query mapping accuracy, generalization to novel queries and datasets, and robustness to linguistic errors. Our results demonstrate that LLM-mediated querying substantially improves the accessibility and usability of global explanations for human-centered XAI.

20.
arXiv (CS.CV) 2026-06-17

AIGS-Net: Compact Illumination Field Modeling via 2D Gaussian Splatting for Fast Low-Light Image Enhancement

Existing low-light image enhancement methods often face a bottleneck between the representation capacity of illumination-field modeling and computational complexity. To address this issue, this paper proposes an Adaptive Illumination Gaussian Splatting Network (AIGS-Net), an ultra-lightweight architecture for fast low-light enhancement. Unlike conventional static priors, AIGS-Net constructs an input-adaptive 2D Gaussian Splatting illumination field. The opacity of Gaussian basis functions is dynamically modulated by relative luminance statistics of the input image, and spatially varying illumination compensation is rendered through ordered alpha compositing. To guide adaptive illumination compensation efficiently, a zero-parameter nonlinear multiscale contextual encoding module is introduced to extract low-frequency structures and local contrast cues without additional convolutional weights. To suppress noise amplification and sensor-induced color bias, AIGS-Net integrates noise-mask estimation, locked single-channel Gamma mapping, cross-channel consistency regularization, and target color-alignment constraints. Experiments on LOL and LSRW benchmarks show that AIGS-Net improves detail recovery and color fidelity while requiring only approximately 40 learnable parameters, achieving an effective trade-off between enhancement quality and extreme inference efficiency.

21.
arXiv (CS.CL) 2026-06-18

LLMs Struggle to Measure What Distinguishes Students of Different Proficiency Levels: A Study of Item Discrimination in Reading Comprehension Assessment

Item discrimination is a fundamental psychometric property of educational assessment, which measures whether an item meaningfully distinguishes students with higher proficiency from students with lower proficiency. While various existing works have explored whether large language models (LLMs) can estimate item difficulty, it remains unclear whether they can capture item discrimination. In this work, we evaluate 42 proprietary and open-weight LLMs in zero-shot settings using two complementary approaches: direct discrimination prediction, where models explicitly estimate an item's discrimination value from its content, and response-based Classical Test Theory (CTT) calibration, where LLM answers are treated as synthetic student responses to compute discrimination scores. Our results show that direct prediction yields weak alignment with human-calibrated discrimination: the best-performing model reaches only a Spearman correlation of 0.152. Response-based CTT calibration provides a stronger but still limited signal, with the all-persona synthetic respondent pool reaching a Spearman correlation of 0.241. These findings highlight item discrimination as an open challenge for LLM-based psychometric evaluation: current LLMs contain non-random discrimination-relevant signal, but they do not yet reliably capture how assessment items distinguish human students.

23.
arXiv (CS.LG) 2026-06-15

The Program Is Still There: A Conservation Law for Program Discovery

arXiv:2606.13799v1 Announce Type: cross Abstract: Finding the shortest program that generates a sequence is uncomputable, and for six decades that fact has been mistaken for a wall around finding any generating program. It is not a wall but a price, and this paper measures it. For every algorithm that learns about a candidate program only through its score, a class spanning Levin search, evolutionary methods, simulated annealing, and the cross-entropy method, we define the coupling width of a search problem and prove an unconditional worst-case lower bound, exponential in that width with base one less than the domain size. From it follows a conservation law: structural knowledge injected into a search trades one for one against the search it removes, and their sum can never fall below the length of the program sought. Levin's 1973 upper bound and the lower bound proved here are the two ends of one conserved quantity, closing on each other as the instruction set grows. The only escape is to read a candidate's structure rather than its score, and its price, which we prove for generic targets, is incompleteness. A deterministic engine built on this theory recovers a generating program, certified by compressing its data and predicting an unseen continuation, for 2,383 of 3,914 sequences across four independent populations, including 244 of the 256 elementary cellular automata, with measured discovery cost rising along program length more than an order of magnitude inside the score-oracle worst case.

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

MolGraphBench: A Benchmark of GNN Architectures for Molecular Regression Tasks

arXiv:2602.20573v3 Announce Type: replace Abstract: Molecules are often represented as SMILES strings, which can be readily converted to hand-crafted descriptors or fingerprints (FP) for molecular property prediction. Research has demonstrated that SMILES can be converted to molecular graphs $G = (V, E)$, with atoms as nodes $(V)$ and bonds as edges $(E)$. These molecular graphs can subsequently be used to train graph neural networks (GNN) models. Despite the recent surge in application of GNN (existing and novel architectures) for molecular property prediction, a rigorous benchmark is still lacking. We propose MolGraphBench, a comprehensive benchmark of four commonly used GNN models for molecular property prediction. Benchmarking results demonstrate graph convolutional network (GCN) and graph isomorphism networks (GIN) as the optimal GNN architectures for molecular graph regression tasks, based on absolute performance, training efficiency, transfer learning and prediction quality. The study also indicates the non-complementary nature of molecular fingerprints in the fusion (GNN-FP) framework. Furthermore, our GNN models achieved performance superior or comparable performance to current state-of-the-art GNN baselines across three datasets (GCN with RMSE of $0.518$ on B3DB, GIN-FP with RMSE of $1.022$ on FreeSolv and GIN with MAE of $63.783$ on RT datasets). Findings from this study indicate that type of GNN-layer, should be treated as a tunable hyperparameter rather than a fixed design choice to achieve superior performance.

25.
arXiv (CS.CL) 2026-06-11

FlowBank: Query-Adaptive Agentic Workflows Optimization through Precompute-and-Reuse

Large Language Model (LLM)-based multi-agent systems are increasingly powerful, but current agentic workflow optimization paradigms make an unsatisfying trade-off. Task-level methods spend substantial offline compute yet deploy only a single workflow, leaving complementary candidates unused, while query-level methods synthesize a new workflow per query at substantial inference cost. Our motivating analysis shows these paradigms are more complementary than competing: workflows discovered during offline search often solve different subsets of queries, and many queries handled by expensive query-level generation can already be solved by cheaper precomputed workflows. This suggests a different objective: rather than searching for one universally best workflow or regenerating one per instance, we should build a compact bank of reusable, complementary workflows and select among them adaptively at inference time. Doing so requires solving three coupled problems: generating complementary rather than redundant candidates, compressing them into a small deployable portfolio, and assigning each query to the right workflow under a performance-cost trade-off. To this end, we present FlowBank, a three-stage framework for portfolio-based agentic workflow optimization. Diversifying proposes DiverseFlow to steer search toward under-covered queries and produce a high-coverage candidate pool. Curating proposes CuraFlow to compress this pool into a compact portfolio with minimal redundancy. Matching casts deployment as edge-value prediction on a query-workflow bipartite graph and routes each incoming query to the portfolio member with the best predicted utility. Across five benchmarks, FlowBank achieves the highest average score among the evaluated methods while remaining cost-competitive, improving over the strongest automated and handcrafted baselines by 4.26% and 14.92% relative, respectively.