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01.
arXiv (CS.LG) 2026-06-19

A Solver-Free Training Method for Predict-then-Optimize

arXiv:2606.19587v1 Announce Type: cross Abstract: We propose a scalable method for training prediction (machine learning) models in the predict-then-optimize paradigm, where model outputs serve as coefficients for a subsequent linear optimization task. Directly minimizing the empirical decision regret is intractable for linear programming and combinatorial optimization since the decision mapping is piecewise constant, and the gradients are zero almost everywhere. While existing methods address this by smoothing the differentiation process, they suffer from scalability issues, since a computationally expensive solver call is required for every gradient evaluation. To address this, we propose a decision-focused learning pipeline based on a measure transformation principle, which yields a new surrogate loss that is completely optimization-solver-free during training. We establish theoretical guarantees, including Fisher consistency and excess risk bounds. Empirically, our method achieves decision quality competitive with state-of-the-art methods while reducing training time by orders of magnitude.

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

Rendering-Aware Sparse Sampling for BRDF Acquisition

Accurate BRDF acquisition is essential for realistic rendering, but dense gonioreflectometer measurements are slow and expensive. We study how to select a small set of BRDF measurements that is most informative for reconstructing material appearance under a learned BRDF prior. Existing sparse-acquisition methods often optimize samples for BRDF-space reconstruction for all materials, while the perceptual importance of a adaptive measurement ultimately depends on its effect on each rendered appearance. We therefore formulate sparse adaptive acquisition as a rendering-aware optimization problem. Our method combines a set encoder for sparse coordinate–value observations, a pretrained hypernetwork-based/PCA-based BRDF reconstructor, and a differentiable renderer. During sampler training, the reconstructor remains fixed, and gradients from a rendered-image loss optimize the measurement locations. This separates acquisition design from prior fitting and encourages the sampler to choose directions that are informative under the learned material distribution. To make the comparison controlled, we evaluate the uniform baseline, meta-learning method, HyperBRDF method, and our learned sampler under matched sample numbers, train/test split, rendering scene, object mask, image mapping, and metrics. Our central claim: rendering-aware sampling improves extremely sparse BRDF acquisition when final rendered appearance is the target. BRDF-space and combined losses are reported only as ablations, together with joint refinement and image-only latent fitting for unseen materials.

03.
arXiv (CS.LG) 2026-06-18

Graph Instance Landscapes: When Structural Similarity Does (Not) Reflect Shortest-Path Performance

arXiv:2606.18267v1 Announce Type: cross Abstract: Benchmarking shortest-path algorithms is commonly based on aggregate performance over heterogeneous graph sets, which limits insight into how different search paradigms react to instance structure. We adopt an instance-landscape view of graph benchmarking by embedding graphs into a low-cost structural feature space and clustering them into regions of similar structure. Three benchmark suites are studied: weighted Erdős–Rényi graphs, random geometric (wireless) graphs, and real-world road networks. We evaluate four representative shortest-path solvers spanning uninformed exact search (Dijkstra), bidirectional exact search (bidirectional Dijkstra), heuristic-guided exact search (A$^{*}$), and deque-based strategies (DEQ). Clustering robustness is analyzed under multiple feature-selection schemes, and runtime distributions are compared across landscape regions using non-parametric tests. While generator parameters induce stable structural regions, we find that feature-space similarity does not necessarily imply performance similarity: significant runtime shifts are frequently observed even within the same landscape region. A merged-suite analysis further shows that different benchmark families occupy largely disjoint regions. These results highlight both the potential and the limits of structural landscapes for the structure-aware benchmarking of shortest-path algorithms.

04.
arXiv (CS.CL) 2026-06-18

Sumi: Open Uniform Diffusion Language Model from Scratch

Diffusion models have become a promising alternative to autoregressive models. Among these, uniform diffusion language models (UDLMs) permit any token to be updated at any step, in principle enabling more flexible generation. However, no UDLM has yet been pretrained from scratch at both large parameter scale and large token budget. Both autoregressive modeling and masked diffusion modeling already have capable models at scale that the community can study and build on; uniform diffusion has none. A scratch-pretrained UDLM at scale would provide a clean reference point for studying scaling behavior, generation dynamics, controllability, and trade-offs against established autoregressive and masked diffusion models. To this end, we introduce Sumi ("ink" in Japanese), a fully open 7B uniform diffusion language model pretrained from scratch on 1.5T tokens. Sumi performs competitively with autoregressive models trained at comparable token budgets on knowledge, reasoning, and coding benchmarks, while under-performing on commonsense benchmarks, where our education-heavy data mixture is a likely contributor. We release our model weights, checkpoints, and full training recipe, including a complete specification of the data mixture over publicly available corpora. We hope this release enables the community to study native uniform diffusion at scale and catalyzes work on its as-yet poorly understood aspects.

05.
arXiv (math.PR) 2026-06-12

Counterintuitive problems in discrete probability

arXiv:2606.07516v2 Announce Type: replace Abstract: This manuscript contains a collection of counterintuitive problems in discrete probability, together with detailed solutions. The dataset was constructed as part of a broader research project investigating the capabilities of the latest-generation Large Language Models (LLMs) in solving discrete probability problems, in order to assess whether LLMs tend to make systematic reasoning errors associated with known cognitive biases. The problems collected here are specifically designed to challenge heuristic reasoning strategies that often lead to intuitively appealing but mathematically incorrect conclusions. The dataset combines several types of problems. Some are adapted from classical probabilistic paradoxes and cognitive-bias literature, while others originate from recreational mathematics sources or were developed by ourselves following similar principles. The primary purpose of this document is to provide a transparent and publicly accessible reference for the problems used in our experimental evaluation of language models, as well as providing detailed human-made solutions. At the same time, we believe that this collection may also prove useful for future research on probabilistic reasoning, cognitive biases, and the evaluation of reasoning capabilities in artificial intelligence systems.

06.
arXiv (math.PR) 2026-06-17

Time-dependent averages of a critical long-range stochastic heat equation

arXiv:2411.09058v2 Announce Type: replace Abstract: We study the time-dependent spatial averages of a critical stochastic partial differential equation, namely the stochastic heat equation in dimension $d\geq 3$ with noise white in time and colored in space with covariance kernel $\|\cdot\|^{-2}$. The solution to this SPDE is a singular measure and was constructed by Mueller and Tribe in [MT04]. We show that the time-dependent spatial averages of this SPDE over a ball of radius $R$ at time $t$ have different limits under different space-time scales. In particular, when $t\ll R^2$, the central limit theorem holds; when $t=R^2$, the spatial average is a non-Gaussian random variable; when $t\gg R^2$, the spatial average becomes extinct.

07.
arXiv (quant-ph) 2026-06-15

Landscape-Similarity-Guided Optimization in Divide-and-Conquer QAOA

arXiv:2602.21689v3 Announce Type: replace Abstract: Divide-and-conquer strategies mitigate hardware constraints for the Quantum Approximate Optimization Algorithm (QAOA) on Noisy Intermediate-Scale Quantum (NISQ) devices by partitioning large interaction graphs into smaller, hardware-compatible sub-problems. However, this approach introduces a severe classical training bottleneck: a decomposition across $m$ boundary nodes generates $2^m$ distinct sub-problems that typically require independent optimization. In this work, we demonstrate that across diverse synthetic and real-world interaction graphs, the variational landscapes of these reduced QAOA instances actually exhibit a robust universality. Adapting the replica-overlap framework of spin-glass physics, we define a landscape-overlap order parameter $q$ to quantify geometric correlations between energy landscapes, revealing a sharp landscape-similarity transition as graph connectivity is tuned. Exploiting this, we introduce Doubly Optimized QAOA (DO-QAOA), an adaptive pipeline that collapses the sub-problems from $2^m$ distinct sub-problems into $K=\mathcal{O}(1)$ effective landscape classes. By performing optimization on a single representative sub-problem and dynamically transferring parameters to remaining sub-problems, DO-QAOA lowers runtime and quantum measurement overhead by orders of magnitude while maintaining a competitive Approximation Ratio Gap (ARG).

08.
arXiv (CS.CL) 2026-06-11

Mapping Scientific Literature with Large Language Models and Topic Modeling

Scientific literature is increasingly fragmented by disciplinary boundaries, specialized terminology, and potentially sparse keyword systems, making it difficult to capture the evolving structure of modern science. This study introduces a large language model (LLM)-driven framework for mapping scientific literature from a topic modeling perspective. The approach is demonstrated on a 20-year corpus of more than 1,500 engineering-related articles published in the Proceedings of the National Academy of Sciences (PNAS). A two-stage classification pipeline first assigns a primary thematic category to each article based on its abstract, followed by full-text analysis to identify secondary classifications that reveal latent cross-topic connections within the corpus. Unlike conventional topic models, the LLM-based framework produces semantically interpretable topics while maintaining strong quantitative performance. Comparative evaluation against established topic modeling methods shows higher topic diversity and lower overlap with competitive coherence metrics. Manual validation on a randomly sampled subset of abstracts yields an accuracy of 75.9%. Additional traditional natural language processing analyses confirm that the generated topics correspond to meaningful linguistic patterns in the corpus. A bipartite network linking primary and secondary classifications further reveals implicit thematic relationships that are not readily observable through abstracts or keyword systems alone. The findings indicate that the framework independently recovers much of the journal's editorial dual-classification structure without prior knowledge of its schema. Overall, the proposed approach offers a powerful tool for mapping science and identifying emerging cross-topic connections in research.

09.
arXiv (CS.LG) 2026-06-19

Self-Adaptive Scale Handling for Forecasting Time Series with Scale Heterogeneity

arXiv:2606.20010v1 Announce Type: new Abstract: Current time series forecasting (TSF) research predominantly focuses on scale-homogeneous data, where different time series share similar numerical magnitude ranges. However, in real-world industrial scenarios such as financial product sales, different time series often differ by orders of magnitude (scale heterogeneity). Since these series share similar temporal patterns, joint modeling is desirable for better data utilization, yet existing scaling methods either compress low-scale signals (global normalization) or destroy semantic discriminability and amplify inverse-scaling errors (window-based scaling). This paper proposes a self-Adaptive Scale-handling (AS) module that learns adaptive scale factors tailored to each input, preserving semantic discriminability while reducing inverse-scaling errors. AS consists of Scale Calibrating (SC), which calibrates prior mean scaling factors through neural networks, and Scaling Selection (SS), which decides whether to apply calibration or retain the original factor, avoiding over-calibration. Experiments on real-world fund sales datasets from Ant Fortune and Alipay show that AS seamlessly integrates into popular TSF models and consistently improves their performance. The code and dataset are available at the link https://github.com/Meteor-Stars/ASTSF.

10.
Nature (Science) 2026-06-22

Will AI spark a scientific renaissance — or a diffuse monoculture?

作者:

Artificial intelligence’s ability to enrich science will depend not only on model capability, but also on whether researchers, reviewers and funders reward originality over speed. Artificial intelligence’s ability to enrich science will depend not only on model capability, but also on whether researchers, reviewers and funders reward originality over speed.

11.
medRxiv (Medicine) 2026-06-11

Assessment of occupational aerosol exposure for laboratory technicians: A quantitative study using {Phi}X174 phage as a substitute virus

作者:

This study aimed to clarify aerosol exposure risks throughout the workflow of a Biosafety Level 2 (BSL-2) polymerase chain reaction (PCR) laboratory, validate the suitability of the {Phi}X174 bacteriophage as an indicator virus, and provide evidence for biosafety control measures. The {Phi}X174 bacteriophage was used to simulate viral samples, and a concentration-bacteriophage plaque standard curve was constructed (R2=0.998). Five operational steps in a simulated PCR laboratory were quantitatively monitored for aerosol concentration using double-layer agar plates, with blank controls used to eliminate interference. Statistical analysis was employed to identify risk differences. Sample homogenization ((5.67 {+/-} 1.23) x 104 plaque-forming units (PFU)/m3) and nucleic acid extraction ((3.45 {+/-} 0.89) x 104 PFU/m3) were identified as high-/very high-risk steps. The viral load in the samples was strongly positively correlated with the aerosol concentration (r = 0.926, P

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

Improved Stochastic Optimization of LogSumExp

arXiv:2509.24894v4 Announce Type: replace-cross Abstract: The LogSumExp function, dual to the Kullback-Leibler (KL) divergence, plays a central role in many important optimization problems, including entropy-regularized optimal transport (OT) and distributionally robust optimization (DRO). In practice, when the number of exponential terms inside the logarithm is large or infinite, optimization becomes challenging since computing the gradient requires differentiating every term. We propose a novel convexity- and smoothness-preserving approximation to LogSumExp that can be efficiently optimized using stochastic gradient methods. This approximation is rooted in a sound modification of the KL divergence in the dual, resulting in a new $f$-divergence called the Safe KL divergence. Our experiments and theoretical analysis of the LogSumExp-based stochastic optimization, arising in DRO and continuous OT, demonstrate the advantages of our approach over existing baselines.

13.
arXiv (CS.CV) 2026-06-18

APT: Atomic Physical Transitions for Causal Video-Language Understanding

Physical events are not understood by their names alone, but by the causal state changes that compose them. A clip-level label such as "bounce" can be correct while hiding the process that makes the event physically valid, from support loss and contact onset to rebound and settling. To make this hidden process explicit, we introduce Atomic Physical Transitions (APTs): minimal, temporally localized state changes that bind a visible cue to an active physical mechanism and before/after dynamical regimes. An APT chain represents a video as an ordered causal transition sequence rather than a single aggregate event label: event labels tell what happened; APT chains explain why it happened. To make APTs learnable by VLMs, we construct mixed-source APT data from human annotations and simulator ground truth, covering 14 transition types across contact, gravity, friction, and rotation/stability, with 27,303 timed instances over 1,246 trials. Using this data, we find that current VLMs miss transition-level physics, with zero-shot recall at most 14% and errors dominated by missed transitions. Direct fine-tuning on APT chains improves transition detection but causes event-level forgetting, indicating that the model learns a specialized answer format rather than a reusable physical representation. We therefore propose APT-Tune, a parameter-efficient recipe that teaches VLMs to use causal transitions without forgetting how to answer video questions. It combines image-pad-aware supervision, format-conditional co-training, and mechanism-conditioned domain-to-type decoding to make APT learning format-robust and physically grounded. With only 11 M LoRA parameters on Qwen3-VL-2B, APT-Tune substantially improves APT recall while also improving event-level video transfer. These results show that APTs are not a new answer format, but a human-aligned causal supervision signal for physical video understanding.

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

Generalization Guarantees for Multi-Input Neural Operator Learning in Sobolev Spaces

arXiv:2606.17419v1 Announce Type: new Abstract: We develop approximation and generalization error estimates for multi-input neural operators, with the output error measured in Sobolev norms. In contrast to standard operator-learning settings with a single input function, our framework allows multiple input functions defined on possibly different domains, with different dimensions and Sobolev regularities. The derived rates explicitly quantify the contribution of each input space to the final error bound. In particular, in the balanced regime, the approximation and generalization rates are governed by the interaction between the input dimensions, regularities, and Sobolev orders, while the dependence on the model complexity retains a \(\log\log/\log\)-type structure. Our analysis provides a general theoretical framework for multi-input operator learning, including Sobolev training, and is applicable to operator learning problems arising from partial differential equations and scientific computing.

15.
arXiv (CS.LG) 2026-06-11

Why Depth Matters in Parallelizable Sequence Models: A Lie Algebraic View

arXiv:2603.05573v2 Announce Type: replace Abstract: Scalable sequence models, such as Transformer variants and structured state-space models, often trade expressivity power for sequence-level parallelism, which enables efficient training. Here we examine the bounds on error and how error scales when models operate outside of their expressivity regimes using a Lie-algebraic control perspective. Our theory formulates a correspondence between the depth of a sequence model and the tower of Lie algebra extensions. Echoing recent theoretical studies, we characterize the Lie-algebraic class of constant-depth sequence models and their corresponding expressivity bounds. Furthermore, we analytically derive an approximation error bound and show that error diminishes exponentially as the depth increases, consistent with the strong empirical performance of these models. We validate our theoretical predictions using experiments on symbolic word and continuous-valued state-tracking problems.

16.
medRxiv (Medicine) 2026-06-18

Consistency of sleep timing and duration are associated with more physical activity and favorable heart rate metrics in a naturalistic cohort

Background: Regularity of sleep patterns over time has increasingly gained traction as an important axis of sleep health. Since sleep habits are under some degree of behavioral control, understanding such patterns in naturalistic settings is particularly important. We quantified sleep variability and tested the hypothesis that regularity correlates with physical activity, resting heart rate (rHR), and heart rate variability (HRV). Methods: We analyzed real-world digital health data from over 81,000 participants (over 18 million nights) who provided informed consent to participate in the Apple Heart and Movement Study and elected to contribute sleep, activity, and heart rate data to the study. Variability was quantified using the standard deviation (SD) computed from total sleep time (TST), sleep start time (S-start), end time (S-end), and midpoint time (MP), as well as the Sleep Regularity Index (SRI). Results: The SD-based variability metrics correlated with one another (R values 0.74-0.92), and with the SRI metric (R values 0.62-0.64). More consistent sleep, by any metric, was associated with more activity and better rHR and HRV. The most consistent tertile for TST variability had higher median TST (6.9 vs 5.9 hours), more daily exercise (32.8 vs 20.4 minutes), lower rHR (62.4 vs 65.6 beats per minute), and higher HRV (40.6 vs 37.3), all p

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

On Rate-Optimal Partitioning Classification from Observable and from Privatised Data

arXiv:2312.14889v4 Announce Type: replace-cross Abstract: In this paper we revisit the classical method of partitioning classification and prove novel convergence rates under relaxed conditions, both for observable (non-privatised) and for privatised data. We consider the problem of classification in a $d$ dimensional Euclidean space. Previous results on the partitioning classifier worked with the strong density assumption (SDA), which is restrictive, as we demonstrate through simple examples. Here, we study the problem under much milder assumptions. We presuppose that the distribution of the inputs is a mixture of an absolutely continuous and a discrete distribution, such that the absolutely continuous component is concentrated on a $d_a$ dimensional subspace. In addition to the standard Lipschitz and margin conditions, a novel characteristic of the absolutely continuous component is introduced, by which the convergence rate of the classification error probability is computed, both for the binary and for the multi-class cases. This bound can reach the minimax optimal convergence rate achievable using SDA, but under much milder distributional assumptions. Interestingly, this convergence rate depends only on the intrinsic dimension of the continuous inputs, $d_a$, and not on $d$. Under privacy constraints, the data cannot be directly observed, and the constructed classifiers are functions of the randomised outcome of a suitable local differential privacy mechanism. In this paper we add Laplace distributed noises to the discretisations of all possible locations of the feature vector and to its label. Again, tight upper bounds on the convergence rate of the classification error probability can be derived, without using SDA, such that this rate depends on $2d_a$.

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

Exploring Starts Are Not Enough: Counterexamples and a Fix for Monte Carlo Exploring Starts

arXiv:2606.15247v1 Announce Type: cross Abstract: The asymptotic behaviour of Monte Carlo Exploring Starts (MCES) is a long-standing open question in reinforcement learning, even in the tabular setting. We investigated the convergence properties of tabular MCES by constructing examples in which the algorithm converges to suboptimal solutions. This paper presents new counterexamples for both initial-visit and first-visit MCES and gives a convergence-restoring modification for the initial-visit case. We show that stable suboptimal solutions may exist for initial-visit MCES with sample-average updates even when greedy actions are updated more often than non-greedy actions on average. However, by scaling learning rates inversely to update frequencies on a state-by-state basis, convergence to optimality is guaranteed. Unlike previous uniformisation methods, this modification is applicable to large-scale problems that require approximating the estimated value function. We then extend the example to show that sample-average first-visit MCES may also converge to suboptimal solutions. This largely settles a fundamental open problem and shows that exploring starts alone do not guarantee convergence to optimality. More broadly, these results highlight that convergence depends critically on the relative size and frequency of updates applied to different actions, making the choice of learning rates and the balance between exploration and exploitation central to the analysis of MCES and the implementation of scalable Monte Carlo control methods.

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

When Multiple Scripts Matter: Evaluating ASR in Clinical Settings

Automatic speech recognition (ASR) in non-English clinical settings is challenged by multiscript variability, where the same term may appear in multiple valid orthographic forms. Conventional string-matching evaluation metrics often underestimate ASR performance by treating orthographic variants as errors. To address this issue, we introduce MultiClin, a clinical ASR benchmark designed to evaluate robustness to multiscript variability. Experiments across diverse ASR models show that multiscript-aware evaluation provides a fairer assessment of recognition quality than conventional single-reference evaluation. We further investigate the impact of script consistency during training and find that inconsistent script mappings increase orthographic uncertainty and hinder model convergence, with a balanced 50% mapping ratio producing the highest entropy. In contrast, script unification consistently yields the best ASR performance. Our dataset and code are publicly available at: https://github.com/aitrics-ronaldo/Interspeech_MultiClin.

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

Architecture-Aware Reinforcement Learning Makes Sliding-Window Attention Competitive in Math Reasoning

arXiv:2606.11634v1 Announce Type: new Abstract: The rapid progress of reasoning and agentic large language models (LLMs) has increased the demand for long-context inference, but self-attention (SA) scales quadratically with context length. To address this, we study SWARR (Sliding-Window Attention with Reinforced Adaptation for Math Reasoning), a practical recipe for adapting SWA models to mathematical reasoning. SWARR has two stages: (1) efficient conversion from a pretrained SA model to SWA with supervised fine-tuning (SFT), which avoids pretraining a new base model, and (2) policy adaptation with reinforcement learning (RL). We find that SWA still underperforms SA after SFT, and we hypothesize that this gap is caused in part by a data-architecture mismatch: most SFT data are prepared for SA models and may contain long-range dependencies that are difficult for SWA to model. Because on-policy RL optimizes self-generated trajectories under the SWA constraint, it can adapt trajectories to better match SWA. Experiments on mathematical reasoning benchmarks show that this recipe substantially narrows the gap between SWA and SA, recovering much of the accuracy lost during SWA conversion while preserving the efficiency benefits of linear-complexity attention. Our central contribution is the empirical finding that RL changes the conclusion one would draw from conversion and SFT alone about SWA's viability for math reasoning.

21.
arXiv (CS.CL) 2026-06-16

Pepti-Agent: An AI Agent for Peptide Design and Optimization

Therapeutic peptides occupy a valuable design space between small molecules and biologics, but their development requires satisfying several competing constraints at once: solubility, hemolytic activity, and nonspecific surface fouling are governed by overlapping sequence features, so improving one property often degrades another. Computational design addresses this by pairing generative models with sequence-based property predictors, iteratively proposing and refining candidates. However, these components are typically wired together as monolithic scripts that are difficult to inspect, extend, or reuse, and they often refine sequences by natural-language reasoning rather than by tracking the evolving multi-property state of each candidate. We present Pepti-Agent, a closed-loop, peptide-specific framework that exposes generation, property prediction, and single-residue mutation as independently inspectable Model Context Protocol (MCP) tools. A large language model controller invokes these tools and consults live predictor output between calls, so refinement is guided by each sequence's current property profile rather than by language reasoning alone. Task-specific PeptideGPT models generate candidates, ProtBERT-based classifiers score solubility, hemolysis, and non-fouling, and two interchangeable mutation operators propose sequence edits. By recording a per-step trace of controller decisions, predictor outputs, and accepted mutations, Pepti-Agent offers a reproducible substrate for benchmarking multi-objective design strategies and for prioritizing candidates for experimental validation.

22.
arXiv (CS.CL) 2026-06-15

WorkBench Revisited: Workplace Agents Two Years On

作者:

The best agent on WorkBench in March 2024, GPT-4, completed 43% of tasks and took an unintended harmful action, such as emailing the wrong person, on 26% of them. We re-visit the benchmark in June 2026 and find that the best agent to date, Claude Opus 4.8, completes 89% and takes an unintended harmful action on 2.5%. Aside from this considerable progress in frontier agent performance, three things stand out. First, capability and safety go together on WorkBench rather than trade off, so the models that finish the most tasks also do the least unintended damage. Second, while several classes of error have been totally eliminated, frontier models still make some basic mistakes that occasionally result in irreversible harm, such as sending an email to the wrong person. Third, the rise of open-weight models has drastically lowered costs for a performance level that was previously only accessible to proprietary models, while frontier costs have stayed relatively stable. We release an updated version of the benchmark with data and code quality improvements, new model scores, and analysis of agent progress on WorkBench since 2024.

23.
arXiv (math.PR) 2026-06-15

Laws of Large Numbers for Non-Independent Random Variables on Hyperspaces with respect to the Hausdorff Metric

arXiv:2011.07199v5 Announce Type: replace Abstract: This paper investigates the limit behavior of the Minkowski sums for sequences of set-valued random variables. When the underlying space is finite dimensional, by using the support function, we establish the weak and strong laws of large numbers for non-independent random variables in the hyperspace with respect to the Hausdorff metric $d_H$.

24.
medRxiv (Medicine) 2026-06-12

Mathematical analysis of the overall survival after chemoradiotherapy of limited-stage small cell lung cancer and the effect of dose/fractionation

The purpose of this work is to analyze the 2-year overall survival (OS2y) of limited-stage small cell lung cancer (LS-SCLC) treated with chemoradiotherapy (CRT), aiming at characterizing the response of LS-SCLC, and in particular the /{beta} value and proliferation parameters. Through a systematic analysis of the literature, we collated a dataset containing 57 entries (3363 patients) of response of LS-SCLC treated with CRT. Radiotherapy schedules ranged from hyper- to hypofractionation. Four radiobiological models to describe the OS2y were investigated, with progressive levels of complexity including the effect of radiotherapy, chemotherapy, treatment year and toxicity. The Akaike Information Criterion (AIC) was used to compare models, and the profile likelihood methodology to compute confidence intervals. Model 4, which includes the effect of radiotherapy, chemotherapy, treatment year and dose-dependent toxicity, provided the best fits of the experimental data (lowest AIC value). While being the best model, model 4 still fails to provide a good prediction of the OS2y, in particular failing to predict the survival of the schedules achieving the lower/higher survivals. The radiobiological analysis of the dose-response of LS-SCLC to CRT does not allow to narrowly constrain the value of response parameters. We attribute this limitation to the large heterogeneity of this disease. Nonetheless, our analysis shows a large /{beta} value (>9 Gy, 95% CI), which implies a low fractionation effect in the radiotherapy of LS-SCLC. and an accelerated proliferation of tumor cells, {lambda}' > 1.6 Gy/day (95% CI), after a kick-off time of ~4-5 weeks, which supports the use of accelerated protocols to avoid the effect of tumor proliferation on the clinical outcome.

25.
arXiv (CS.LG) 2026-06-17

Toward Controllable Catalyst Inverse Design via Large-Scale Autoregressive Pretraining

arXiv:2606.17445v1 Announce Type: new Abstract: Inverse design of heterogeneous catalysts remains challenging because catalyst surfaces exhibit substantial structural complexity with coupled surface-adsorbate interactions across a vast chemical space that is difficult to explore efficiently through conventional screening alone. Although machine learning-based high-throughput screening has accelerated catalyst discovery, its efficiency inevitably declines as the search space grows, motivating the development of generative models that can directly construct catalysts with target properties. Here, we present a conditional catalyst generative model based on the Generative Pretrained Transformer architecture with a numerical embedding layer that enables the generation of catalyst structures conditioned on both categorical and continuous properties within a single autoregressive framework. The model was pretrained on 133 million catalyst structures and subsequently fine-tuned on approximately 460,000 optimized structures with associated categorical properties and binding energies for conditional generation. The resulting model achieved 98% structural validity, 95% optimization validity, and high categorical condition fidelity, with a 93 % joint match rate for adsorbate type and composition. For binding energy conditioning, the match rate of approximately 20% represents a four-fold improvement over the baseline training distribution, and the generated distributions shift systematically toward the target values, enabling a 1.5 to 4-fold improvement in screening efficiency for reaction-targeted catalyst discovery without additional fine-tuning. These results show that large-scale autoregressive pre-training, combined with explicit property conditioning, provides a practical route toward controllable catalyst generation and accelerated catalysts discovery.