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01.
arXiv (CS.CV) 2026-06-11

From Prompts to Tokens: Internalizing Causal Supervision in Vision-Language Model for Multi-Image Causal Reasoning

Visual causal reasoning is essential for understanding and intervening in the physical world, requiring identification of causal variables from visual inputs and reasoning over intervention effects. Despite recent progress, large vision–language models (VLMs) remain brittle at such tasks, especially for interventional and counterfactual queries over multi-image inputs. Most existing explorations inject causal knowledge via textual prompts, leaving causal mechanisms external to model execution and limiting reliable control during inference. To address this problem, we propose BridgeVLM, which internalizes visual causal reasoning by inducing a causal graph from multi-image inputs and converting it into structured Causal Tokens executed by RAMP layers injected into the LLM decoder for causal message passing. We further introduce a unified training interface M3S for fine-grained causal supervision from different granularities (local/global level). BridgeVLM achieves 54.4% accuracy on intervention tasks on CausalVLBench (vs. 33.2% with prompt-level supervision), improves results on Causal3D from 43.6% to 49.0%, and substantially improves causal structure learning on CausalVLBench ($F_1$: 33.4% $\rightarrow$ 75.1%).

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

Integrated Marketing Attribution: A Bayesian Framework for Privacy-Safe Granular Measurement Anchored in MMM

arXiv:2606.16878v1 Announce Type: new Abstract: Retail marketing measurement increasingly requires granular campaign-level insights without relying on user-level tracking. However, the two dominant approaches, Marketing Mix Modeling (MMM) and Multi-Touch Attribution (MTA), often produce fragmented insights. MMM is privacy-safe and robust for channel-level planning but is too coarse for campaign optimization, while MTA provides granular attribution but has become less reliable under increasing privacy restrictions. We propose Integrated Marketing Attribution (IMA), a unified framework that combines MMM with channel specific Bayesian attribution models to derive campaign-level effects from aggregated data. By leveraging MMM-informed priors, IMA delivers granular, privacy-safe attribution while preserving consistency with MMM.

03.
arXiv (quant-ph) 2026-06-16

Exactly Solvable Quantum Model with Spin-Dependent Coulomb Interaction

arXiv:2501.05103v5 Announce Type: replace Abstract: In this work, we report an exactly solvable quantum model featuring a spin-dependent Coulomb interaction, described by the spin vector potential \(\vec{\mathcal{A}} = k (\vec{r} \times \vec{S}) / r^2\) together with a Coulomb-type scalar potential \(\varphi = \kappa / r\) . The model is governed by the Schrödinger-type Hamiltonian \(\mathcal{H}_S = \vec{\Pi}^2 / (2M) + q \varphi\) in nonrelativistic quantum mechanics and by the Dirac-type Hamiltonian \(\mathcal{H}_D = c \vec{\alpha} \cdot \vec{\Pi} + \beta M c^2 + q \varphi\) in relativistic quantum mechanics, where \(\vec{\Pi} = \vec{p} - (q/c)\vec{\mathcal{A}}\) is the canonical momentum. We demonstrate two main results: (i) Just as the Coulomb-type scalar potential \(\mathcal{S}_Maxwell = \{\vec{\mathcal{A}} = 0,\ \varphi = \kappa / r\}\) is a local exact solution of Maxwell's equations on $r\neq0$, the gauge potential \(\mathcal{S}_YM = \{\vec{\mathcal{A}} = k (\vec{r} \times \vec{S}) / r^2,\ \varphi = \kappa / r\}\) constitutes a local exact solution of the Yang–Mills equations on the punctured region $r\neq0$. (ii) Both Hamiltonians \(\mathcal{H}_S\) and \(\mathcal{H}_D\) can be solved exactly in the presence of this spin-dependent Coulomb interaction. The resulting energy spectra are derived, and they naturally reduce to those of the ordinary hydrogen atom when the spin-dependent terms are neglected. Finally, we clarify the quantization conditions and the fixed-background interpretation of the model.

04.
arXiv (CS.LG) 2026-06-16

Multi-User Dueling Bandits: A Fair Approach using Nash Social Welfare

arXiv:2605.01961v2 Announce Type: replace Abstract: Learning from human preference data is becoming a useful tool, from fine-tuning large language models to training reinforcement learning agents. However, in most scenarios, the model is trained on the average preference of all human evaluators, which, under large variations of preferences, can be unfair to minority groups. In this work, we consider fairness in dueling bandits, a standard framework for online learning from preference data. We assume that each user has a (potentially distinct) Condorcet winner, which is an arm preferred to every other arm. Using these user-specific Condorcet winners as reference points, we evaluate and score arms according to their performance relative to the corresponding winner. To promote fairness across heterogeneous users, we adopt the well-established Nash Social Welfare objective, which maximizes the product of user utilities, thereby inherently penalizing inequality and preventing the marginalization of any single user. Within this framework, we construct a hard instance to establish a regret lower bound of $\Omega(T^{2/3}\min(K,D)^\frac{1}{3})$ for a time horizon $T$, $K$ arms, and $D$ users, which, to the best of our knowledge, is the first result quantifying the cost of fairness in dueling bandits with heterogeneous preferences. We then present the Fair-Explore-Then-Commit and Fair-$\epsilon$-Greedy algorithms with a Condorcet winner identification phase. We further derive their regret upper bounds that match the lower-bound dependence on $T$ up to logarithmic factors.

05.
PLOS Computational Biology 2026-06-05

A multiscale, Bayesian inference approach to augment mechanistic models of cell signaling with machine-learning predictions of binding affinity

by Holly A. Huber, Stacey D. Finley Computational models in systems biology are often underdetermined—that is, there is little data relative to the complexity and size of the model. This lack of data is primarily due to limits in our ability to observe specific biological systems and restricts the utility of computational models. To reduce this uncertainty, recent methods have explored augmenting parameter inference of systems biology models with predictions from machine learning models. Such approaches expand the pool of data that is applicable for the inference problem. Here, we explore augmenting the parameter inference of intracellular signaling models. We choose to investigate signaling because experimental measurements of the variables of interest, protein dynamics, are still quite limited. To investigate, we propose a novel, multiscale, Bayesian inference approach that augments traditional signaling data with predictions of binding affinity. These predictions are generated using a machine learning pipeline with measurements of amino acid sequence, from the Universal Protein Resource, or protein structure, from the Protein Data Bank, as inputs. We find that we can successfully integrate these measurements into the inference problem using our novel framework. Excitingly, this integration significantly improves the parameter estimates of signaling models. We demonstrate that how much this improvement impacts predictions of signaling depends on the sensitivity of the prediction to perturbations in the parameter values. Overall, the framework we establish here improves the parameter inference of intracellular signaling models by successfully bridging data on protein sequence and structure with systems-level signaling.

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

Polynomial-Time Mistake-Bounded Language Generation

arXiv:2606.16077v1 Announce Type: cross Abstract: In this note, we introduce a polynomial-time version of the mistake-bounded language generation (MBLG) framework due to Kleinberg, Peale, and Reingold (2026). We observe that the family of parities of variables, and the family of conjunctions of literals, are polynomial-time MBLG. Our main result states that the family of monotone Boolean functions with polynomially-many maxterms is polynomial-time MBLG. This family includes all monotone Boolean functions, computable by polynomial-size decision trees. Our technique can be presented as a new combinatorial game about writing numbers on a board.

07.
arXiv (CS.CV) 2026-06-15

Rethinking Global Average Pooling: Your Classifier Is Secretly a Multi-Instance Learner

作者:

Modern image classifiers widely adopt global average pooling (GAP) followed by a linear classification head. This linearity ensures that the image-level logits equal the average of logits obtained by applying the classification head pointwise to the feature grid prior to GAP. Consequently, standard classifiers may inherently retain spatial class evidence that remains recoverable even when the image-level prediction is incorrect. This structure naturally suggests a multiple-instance learning (MIL) interpretation, where an image is viewed as a bag of spatial instances. Within this formulation, we demonstrate that standard classifiers trained with a single label per image can still learn the intended classification task in multi-object scenes. We further exploit this property to decompose image-level logits into a prediction grid, providing a post-hoc diagnostic to extract spatial class evidence that GAP otherwise obscures. Our systematic evaluation reveals that off-the-shelf models consistently recover the ground-truth class within foreground regions. The MIL interpretation further suggests that common classifier failures reflect known limitations of mean aggregation.

08.
arXiv (CS.LG) 2026-06-18

Unlocking air traffic flow prediction through microscopic aircraft-state modeling

arXiv:2605.10083v2 Announce Type: replace Abstract: Short-term air traffic flow prediction in terminal airspace is essential for proactive air traffic management. Existing approaches predominantly model traffic flow as aggregated time series. However, traffic dynamics are governed by aircraft states and their interactions in continuous airspace. Such aggregation obscures fine-grained information, including aircraft kinematics, boundary interactions, and control intent. Here we present AeroSense, a state-to-flow modeling paradigm that predicts future traffic flow directly from instantaneous airspace situations represented as dynamic sets of aircraft states derived from ADS-B trajectories. By establishing an end-to-end mapping from microscopic aircraft states to future regional traffic flow, AeroSense preserves aircraft-level dynamics while naturally accommodating varying traffic density without relying on historical look-back windows. Experiments on a large-scale real-world dataset show that AeroSense exhibits admirable predictive accuracy and robustness over aggregation-based forecasting approaches, particularly during high-density traffic periods. These findings suggest that aircraft-state situation modeling provides a promising alternative to conventional time-series forecasting in air traffic flow management.

09.
arXiv (CS.AI) 2026-06-15

The Shrinking Lifespan of LLMs in Science

arXiv:2604.07530v2 Announce Type: replace-cross Abstract: Scaling laws describe how language model capabilities grow with compute and data, but say nothing about how long a model matters once released. We introduce time-to-peak and lifespan as measures of model obsolescence and use them to characterize the scientific adoption trajectories of 62 LLMs across more than 108k citing papers (2019-2025), separating active adoption from background citation to recover per-model trajectories that citation counts cannot resolve. We find that a model's longevity is shaped more by when it was released than by its characteristics: release year predicts time-to-peak and lifespan more strongly than architecture, openness, or scale. LLM adoption follows an inverted-U curve (rising after release, peaking, and then declining), but this pattern is rapidly compressing. Each successive release year is associated with a 27% shorter time-to-peak and a 23% shorter lifespan ($p < 0.001$), robust to minimum-age thresholds and controls for model size. These adoption-side dynamics are invisible to scaling laws and suggest that specialization on any single model may be a depreciating investment, with costs falling on reproducibility and migration.

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

Structure Over Nonlinearity: Explicit Interaction Architectures for Dynamical Learning

arXiv:2606.19101v1 Announce Type: cross Abstract: Most learning architectures for dynamical systems rely on generic nonlinear function approximation, often requiring high model complexity to capture structured behaviors. In this work, we propose an alternative paradigm in which modeling capability arises primarily from structure rather than from expressive nonlinearities. We introduce a class of explicit structured dynamical units based on wave-inspired interaction structures with internal state. Inspired by wave-based computational principles, the proposed units adopt a strictly causal organization that eliminates algebraic loops, yielding fully explicit models that can be evaluated without implicit solvers. Stacking such units produces layered dynamical architectures with emergent hierarchical behavior. Through experiments on a nonlinear system identification task, we show that depth improves both representation quality and generalization, even under limited parameter optimization. In particular, the proposed architectures produce informative internal representations even under readout-only fitting, indicating that useful dynamical structure emerges from the organization of interactions prior to substantial parameter optimization. These results suggest that structure-first design provides a viable and effective alternative to conventional black-box approaches for learning dynamical systems, highlighting the role of interaction structure as a primary source of model expressivity.

12.
arXiv (CS.CV) 2026-06-16

Pixels to Proofs: Probabilistically-Safe Latent World Model Control via Parallel Conformal Robust MPC

We present SLS^2, a framework for safe feedback motion planning from pixels using robust model predictive control (MPC) in learned latent world models. Our approach trains an action-conditioned joint-embedding world model with compact Markovian latent states, enabling efficient gradient-based trajectory optimization through learned latent dynamics. To enforce safety for the true system despite imperfect latent predictions, we inform a GPU-accelerated system level synthesis (SLS) robust MPC scheme with conformal prediction to obtain calibrated latent error bounds and robust latent-space constraint sets. We further learn and conformalize a latent constraint checker, allowing the SLS planner to impose probabilistic safety constraints during closed-loop execution. We evaluate our method on vision-based control tasks, where it improves both goal-reaching performance and safety over latent world-model and safe-planning baselines.

13.
arXiv (CS.CV) 2026-06-12

IterCAD: An Iterative Multimodal Agent for Visually-Grounded CAD Generation and Editing

Computer-Aided Design is pivotal in modern manufacturing, yet existing automated methods predominantly rely on open-loop, one-shot generation, creating a mismatch with iterative real-world practices. In this paper, we present IterCAD, a unified multimodal agent framework for closed-loop, interactive CAD generation and editing. We formulate the task as a multi-turn interaction between a multimodal agent and an executable CAD sandbox, covering three tasks: Drawing-to-Code, Text-to-Code, and Interactive Editing. To support this, we develop a data synthesis pipeline incorporating advanced industrial manufacturing features to generate standard-compliant multi-view engineering drawings, complex code-editing tasks, and high-fidelity interaction trajectories. We optimize the agent via progressive SFT followed by geometry-aware reinforcement learning with viable-prefix masking to enhance code executability and geometric fidelity. Finally, we introduce the IterCAD-Bench evaluation suite and propose the Chamfer Distance Tolerance-Recall (CD-TR) curve alongside its AUC-TR metric, establishing a survivor-bias-free standard that unifies code validity and geometric precision. Extensive experiments demonstrate that IterCAD achieves highly competitive performance across multiple benchmarks, significantly outperforming existing approaches in both code executability and geometric precision, while exhibiting superior capabilities in closed-loop iterative refinement.

14.
arXiv (math.PR) 2026-06-16

Testing for a Hidden Geometry in Random Graphs

arXiv:2606.16715v1 Announce Type: cross Abstract: We study the problem of detecting a faint geometric signal hidden in an otherwise random graph. Formally, we consider a hypothesis testing problem in which, under the null, the observed graph is an Erdős–Rényi random graph $\mathcal{G}(n,q)$, while under the alternative a random geometric graph $\mathcal{G}(k,q,d)$ is planted on $k\le n$ vertices. The planted subgraph is generated from independent random points on the unit sphere $\mathbb{S}^{d-1}$, with edges determined by latent geometric proximity and calibrated to have edge density $q$. Our goal is to characterize the statistical and computational limits of detecting this hidden geometry. We derive sharp information-theoretic lower bounds that identify regimes where detection is impossible and provide algorithms that achieve these limits whenever detection is feasible. We further investigate the computational complexity of the problem and determine when efficient polynomial-time tests exist. The model exhibits an easy–hard–impossible phase transition: some regimes allow efficient detection, others permit detection only with computationally intractable procedures, and still others render detection impossible even with unlimited computational power. As evidence for the computational barrier, we prove that all low-degree polynomial algorithms fail throughout the conjecturally hard regime, demonstrating a sharp gap between statistical and computational feasibility.

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

Robust Spoofed Speech Detection via Temporal Pyramid Modeling

Spoofed speech detection is increasingly challenged by realistic synthesis, voice conversion, and replay attacks, with cross-dataset generalization remaining a major limitation. This work we propose a Temporal Pyramid Adapter that utilize parallel temporal convolutions with varying receptive fields to capture multi-scale spoofing cues, ranging from local artifacts to global prosodic irregularities. We also integrated self-supervised XLS-R representations combined with front-end adapters, including Mel, Sinc, and a Temporal Pyramid design for multi-scale temporal modeling. The proposed model is evaluated cross multiple benchmark including ASVspoof 2017, ASVspoof 2021 (DF/LA), PartialSpoof, DiffSSD, and multilingual HQ-MPSD datasets. Experimental results demonstrate that Temporal Pyramid model obtained AUC of 99.24% and a EER of 3.87% on the PartialSpoof database, which is significantly outperforming the base model and several SOTA baseline such as LCNN-BLSTM (9.87% EER) and TRACE (8.08% EER). Additionally, multilingual evaluations confirm that while spoofing artifact are independent from language. While self-supervised representations improve robustness, performance degrades under domain and language shifts, highlighting the need for better adaptation and calibration strategies.

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

A Water Efficiency Dataset for African Data Centers

arXiv:2412.03716v3 Announce Type: replace Abstract: Artificial intelligence (AI) computing and data centers consume large amounts of freshwater, both directly for cooling and indirectly for electricity generation. While most attention has been paid to developed countries such as the U.S., this paper presents the first-of-its-kind dataset that combines nation-level weather and electricity generation data to estimate water usage effectiveness for data centers in 41 African countries across five different climate regions. We also use our dataset to evaluate and estimate the water consumption of inference on two large language models (i.e., Llama-3-70B and GPT-4) in 11 selected African countries. Our estimates suggest that writing a 10-page report using Llama-3-70B could consume as much as {0.66 liters} of water, while the water consumption by GPT-4 for the same task may go up to about {59 liters}. For writing a medium-length email of 120-200 words, Llama-3-70B and GPT-4 could consume about {0.13 liters} and {2.9 liters} of water, respectively. All the numbers for generative model inference tasks are based on public information available in 2024, when we initially prepared the analysis. Since then, AI inference systems have improved substantially. For example, recent disclosures suggest that energy efficiency improved by more than 30x between May 2024 and May 2025. Accordingly, our 2024 estimates should be interpreted as historical reference values rather than as representative of current performance. Interestingly, given the same AI model, 9 of the 11 selected African countries consume less water than the global average, mainly because of lower water intensities for electricity generation.

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

AdaSR: Adaptive Streaming Reasoning with Hierarchical Relative Policy Optimization

Large reasoning models typically follow a read-then-think paradigm: they observe the complete input, reason over a static context, and then produce the answer. Yet many real-world scenarios are inherently dynamic, such as audio and video stream, where information arrives as a continuous stream and models must reason, update, and respond under partial observations. Recent streaming reasoning methods allow models to think while reading, but they largely rely on supervised imitation of pre-constructed trajectories, which limits their flexibility. In this paper, we propose AdaSR, an adaptive streaming reasoning framework that enables models to reason during input streaming and perform final deliberation once the stream is complete, learning when to think, and how much computation to allocate across different stages. To optimize this hierarchical reasoning process, we introduce Hierarchical Relative Policy Optimization (HRPO), which decomposes policy optimization into streaming reasoning and deep reasoning phases, providing more fine-grained advantage assignment instead of uniformly distributing a single sequence-level advantage over all tokens. HRPO integrates format, accuracy, and adaptive thinking rewards to enforce valid reasoning protocols, preserve final task performance, and encourage latency-aware computation allocation. Experiments show that AdaSR achieves a better balance among reasoning accuracy, computational efficiency, and streaming latency compared with supervised fine-tuning baseline. We release our code at https://github.com/EIT-NLP/StreamingLLM/tree/main/AdaSR.

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

An Ontology-Guided Multi-Anchor Graph Retrieval Framework for Traffic Legal Liability Determination

Traffic law liability determination is critical for assigning legal penalties, requiring the simultaneous identification of interdependent statutory provisions across multiple legal dimensions. However, existing retrieval-augmented generation methods suffer from a multi-dimensional retrieval bottleneck: single axis architectures compress complex legal queries into a single pathway, causing interdependent statutory dimensions to be overlooked. To address this, we propose OMAGR, an ontology-guided framework that decomposes queries into ontology-aligned anchors and executes parallel graph retrieval across each dimension, ensuring independent retrieval across dimensions before fusion. To evaluate the proposed method, we created the TrafficLaw-QA dataset, an expert-validated benchmark dataset containing 200 questions and 527 legal provisions. Results show that TrafficOmni-RAG outperforms baselines on Context Precision and Faithfulness metrics. The findings demonstrate that parallel multi-anchor retrieval effectively resolves the multi-dimensional retrieval bottleneck, offering a promising direction for traffic law liability determination research.

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

ConSA: Controllable Sparsity in Hybrid Attention via Learnable Allocation

Hybrid architectures combining full attention (FA) and sliding-window attention (SWA) are a promising paradigm for efficient LLM inference. However, existing methods typically rely on hand-crafted rules or simple post-hoc heuristics for FA/SWA allocation and offer limited analysis of the attention behaviors underlying these designs. We propose Controllable Sparsity in Hybrid Attention (ConSA), a framework that learns optimal FA/SWA assignment under a user-specified sparsity target. ConSA employs L0 regularization to learn binary masks selecting between FA and SWA for each attention unit, while an augmented Lagrangian constraint enforces the target sparsity at either layer or KV-head granularity. We evaluate ConSA on two LLMs at the 0.6B and 1.7B scales. Learned allocations consistently outperform rule-based baselines, with KV-head-wise allocation yielding clear gains over layer-wise allocation. The learned patterns place SWA in the bottom layers and concentrate FA into contiguous middle-layer blocks, diverging from evenly interleaved patterns in rule-based methods. This structure persists across model scales, sparsity levels, and allocation granularities, revealing a fine-grained spectrum of intrinsic attention behaviors that underlies the learned allocation.

20.
arXiv (CS.CL) 2026-06-15

Automatic identification of diagnosis from hospital discharge letters via weakly supervised Natural Language Processing

Identifying patient diagnoses from hospital discharge letters is essential for large-scale cohort selection and epidemiological research, but traditional supervised approaches require extensive manual annotation, which is often impractical for large textual datasets. We present a weakly supervised Natural Language Processing (NLP) pipeline for classifying Italian discharge letters without document-level manual annotation. The method extracts diagnosis-related sentences, generates semantic embeddings using a transformer model further pre-trained on Italian medical documents, and applies a two-level clustering procedure to derive weak labels that are then used to train a document-level classifier. The approach was evaluated in a case study on bronchiolitis using 33,176 discharge letters of children admitted to 44 emergency rooms or hospitals in the Veneto Region, Italy, between 2017 and 2020. The best weakly supervised model achieved an AUROC of 77.68% ($\pm4.30\%$), an AUPRC of 73.13% ($\pm4.93\%$), and an F1-score of 78.14% ($\pm4.89\%$) against manually annotated data. Performance surpassed unsupervised baselines and approached fully supervised models, while reducing the need for manual annotation by more than 1,500 hours for a dataset of this size. Similar model rankings were observed in a secondary validation on a smaller bronchitis dataset (3,188 discharge letters, 2020-2025), where the best weakly supervised model achieved an AUPRC of 76.72% ($\pm 5.02\%$). These results suggest the potential of weakly supervised NLP methods for scalable disease identification from clinical discharge letters.

21.
arXiv (math.PR) 2026-06-16

Exact Label Recovery in Euclidean Random Graphs

arXiv:2407.11163v3 Announce Type: replace-cross Abstract: In this paper, we propose a family of label recovery problems on weighted Euclidean random graphs. The vertices of a graph are embedded in $\mathbb{R}^d$ according to a Poisson point process, and are assigned to a discrete community label. Our goal is to infer the vertex labels, given edge weights whose distributions depend on the vertex labels as well as their geometric positions. Our general model provides a geometric extension of popular graph and matrix problems, including submatrix localization and $\mathbb{Z}_2$-synchronization, and includes the Geometric Stochastic Block Model (proposed by Sankararaman and Baccelli) as a special case. We study the fundamental limits of exact recovery of the vertex labels. Under a mild distinctness of distributions assumption, we determine the information-theoretic threshold for exact label recovery, in terms of a Chernoff-Hellinger divergence criterion. Impossibility of recovery below the threshold is proven by a unified analysis using a Cramér lower bound. Achievability above the threshold is proven via an efficient two-phase algorithm, where the first phase computes an almost-exact labeling through a local propagation scheme, while the second phase refines the labels. The information-theoretic threshold is dictated by the performance of the so-called genie estimator, which decodes the label of a single vertex given all the other labels. This shows that our proposed models exhibit the local-to-global amplification phenomenon.

22.
bioRxiv (Bioinfo) 2026-06-11

GeroQubit: a lightweight, honesty-first de-novo design platform for geroscience-native small molecules with calibrated uncertainty

作者:

Computational molecule generation has outpaced its own credibility. We present GeroQubit, a GPU-free de-novo design platform that organizes candidates along a target x tissue x hallmark model and reports every signal alongside its measured baseline. We treat our tissue aging-signature readout as a mechanistic structural prior that we explicitly disclose is not validated against lifespan, and we surface efficacy only through a structure-to-lifespan k-NN whose weak but real signal (leave-one-out rho ~ 0.145) is wrapped in empirically-calibrated conformal intervals (90% target, 90.3% measured coverage). On a held-out retrospective recovery of ~1,940 ChEMBL binders against decoys, the score reaches ROC-AUC 0.945 with ~20x enrichment at 1% (BEDROC 0.91) and survives a scaffold-disjoint split - yet we report that it collapses to near-random (AUC 0.62) on genuinely novel chemotypes. Molecules are assembled reaction-first, so every candidate carries a verified synthetic route and atom-level synthon provenance; ADMET is handled as a multi-objective Pareto problem. We frame the disclosed weak signals and the hard-case failures not as flaws but as the honest, decision-useful output the field's own critics demand.

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

Recurrent neural networks approximate continuous functions

arXiv:2606.20325v1 Announce Type: new Abstract: Classical approximation theorems ask for a new neural network whenever the target accuracy is improved. This paper studies the opposite possibility: can the network be chosen once and for all, and can accuracy be bought only by letting it run longer? We prove that this is possible for every continuous function on [-1,1]. More precisely, each such function is uniformly approximated by the time evolution of a single ReLU recurrent neural network with fixed weights and fixed hidden dimension. The mechanism behind the construction is a new intermediate model, the Turing machine with neural units (TMNU). This model retains the algorithmic freedom needed to implement polynomial approximation schemes, while remaining rigid enough to be simulated by RNNs with explicit bounds on hidden dimension and weight magnitude. The resulting convergence rates reflect the underlying polynomial approximation rates. We complement the construction with minimax lower bounds showing that runtime is not merely a proof artifact, but an unavoidable resource in this fixed-network approximation paradigm.

24.
arXiv (CS.CL) 2026-06-17

Dissociating Decodability and Causal Use in Bracket-Sequence Transformers

When trained on tasks requiring an understanding of hierarchical structure, transformers have been found to represent this hierarchy in distinct ways: in the geometry of the residual stream, and in stack-like attention patterns maintaining a last-in, first-out ordering. However, it remains unclear whether these representations are causally used or merely decodable. We examine this gap in transformers trained on the Dyck language (a formal language of balanced bracket sequences), where the hierarchical ground truth is explicit. By probing and intervening on the residual stream and attention patterns, we find that depth, distance, and top-of-stack signals are all decodable, yet their causal roles diverge. Specifically, masking attention to the true top-of-stack position causes a sharp drop in long-distance accuracy, while ablating low-dimensional residual stream subspaces has comparatively little effect. These results, which extend to a templated natural language setting, suggest that even in a controlled setting where the relevant hierarchical variables are known, decodability alone does not imply causal use.

25.
arXiv (quant-ph) 2026-06-16

Neural quantum states for entanglement depth certification from randomized Pauli measurements

arXiv:2512.13121v2 Announce Type: replace Abstract: Entanglement depth quantifies how many qubits share genuine multipartite entanglement, but certification typically relies on tailored witnesses or full tomography, both of which scale poorly with system size. We recast entanglement-depth and non-$k$-separability certification as likelihood-based model selection among neural quantum states whose architecture enforces a chosen entanglement constraint. A hierarchy of separable neural quantum states is trained on finite-shot local Pauli outcomes and compared against an unconstrained reference model trained on the same data. When all constrained models are statistically disfavored, the data certify entanglement beyond the imposed limit directly from measurement statistics, without reconstructing the density matrix. We validate the method on simulated six- and ten-qubit datasets targeting GHZ, Dicke, and Bell-pair states, and demonstrate robustness for mixed states under local noise. Finally, we discuss lightweight interpretability diagnostics derived from trained parameters that expose coarse entanglement patterns and qubit groupings directly from bitstring statistics.