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

GRACE: Step-Level Benchmark for Faithful Reasoning over Context

Many reasoning tasks require models to reason over input context, from document-grounded question answering to rule-based deduction. Chain-of-Thought (CoT) prompting produces traces that appear transparent, yet individual steps can silently deviate from the source evidence, even when the final answer is correct. Existing methods detect hallucinations at the response level but fail to identify where in the chain a failure occurs or what type it is. We introduce GRACE, the first human-annotated step-level faithfulness benchmark with a data-driven error taxonomy for context-grounded textual reasoning. GRACE covers CoT traces from 10 models across 4 source datasets, with each step annotated for faithfulness, error category, and natural language explanation. A data-driven taxonomy, discovered bottom-up via unsupervised clustering, organizes failures into two tracks: GRACE-Inference (deductive errors) and GRACE-Grounding (factual grounding errors), with four categories each. The evaluation set is human-annotated and challenging by design. Our experiments reveal substantial headroom for current models. In addition, integrating step-level faithfulness signals into reinforcement learning pipelines improves both downstream accuracy and reasoning reliability.

02.
PLOS Computational Biology 2026-06-09

Evolution of phenocopying in a dynamical model of developmental trajectories

by Yuuki Matsushita, Archishman Raju Developmental trajectories are known to be canalized, or robust to both environmental and genetic perturbations. However, even when these trajectories are decanalized by an environmental perturbation outside the range of conditions to which they are robust, they often produce phenotypes similar to known mutants, called phenocopies. This correspondence between the effects of environmental and genetic perturbations has received little theoretical attention. Here, we study an abstract regulatory model that is evolved to follow a specific trajectory. We then study the effects of small and large perturbations to the trajectory, both by changing parameters and by perturbing the state at specific times. We find that the phenomenon of phenocopying emerges in evolved trajectories and is not present in a null model of randomly sampled trajectories. Our results suggest that, in this class of dynamic models, evolution can allow high-dimensional phenotypic landscapes to simultaneously exhibit robustness and phenocopying.

03.
arXiv (CS.LG) 2026-06-15

From Small to Large: A Graph Convolutional Network Approach for Solving Assortment Optimization Problems

arXiv:2507.10834v4 Announce Type: replace Abstract: Assortment optimization seeks to select a subset of substitutable products, subject to constraints, to maximize expected revenue. The problem is NP-hard due to its combinatorial and nonlinear nature and arises frequently in industries such as e-commerce, where platforms must solve thousands of such problems each minute. We propose a graph convolutional network (GCN) framework to efficiently solve constrained assortment optimization problems. Our approach constructs a graph representation of the problem, trains a GCN to learn the mapping from problem parameters to optimal assortments, and develops three inference policies based on the GCN's output. Owing to the GCN's ability to generalize across instance sizes, patterns learned from small-scale samples can be transferred to large-scale problems. Theoretical results are established to show the expressive power of the proposed GCN, and explain the underlying mechanism of the size generalization ability. Numerical experiments show that a GCN trained on instances with 20 products achieves over 85% of the optimal revenue on problems with up to 2,000 products within seconds, outperforming existing heuristics in both accuracy and efficiency. We further extend the framework to settings with an unknown choice model using transaction data and demonstrate similar performance and scalability.

04.
arXiv (CS.AI) 2026-06-12

Arbor: Tree Search as a Cognition Layer for Autonomous Agents

arXiv:2606.12563v1 Announce Type: new Abstract: Arbor is a multi-agent framework that introduces structured tree search as a cognition layer for autonomous agents operating in large, stateful action spaces. Prior autonomous optimization systems operate on isolated targets with stateless evaluation. Arbor instead maintains an explicit search tree of scored hypotheses that serves as the shared working memory across agents, evolving with every measurement, treating failures as diagnostic signal that reshapes subsequent exploration, and expanding as prior successes shift the bottleneck distribution. We validate Arbor on full-stack LLM inference optimization, a domain where achieving peak performance has historically required coordinated effort from engineering teams across the application, framework, compiler, kernel, and hardware stack. Arbor pairs an Orchestrator agent, which drives optimization by delegating to Domain Specialists across the inference stack, with a Critic agent that safeguards stability through root-cause analysis, introspection, and measurement validation – a checks-and-balances architecture where neither agent can unilaterally drive the system. Agent capabilities are decomposed into hard skills (domain expertise) and soft skills (coordination protocols that determine how contributions compose), enabling fully autonomous multi-day campaigns. Arbor achieves up to 193% inference throughput-latency Pareto improvement over vendor-optimized baselines, while a single agent without the harness plateaus at +33% throughput improvement and crashes irrecoverably within hours. Arbor generalizes to multiple generations of hardware platform, and run-to-run variance is within 2 percentage points demonstrating that the method is hardware-agnostic and reproducible.

05.
arXiv (CS.AI) 2026-06-15

SpheriCity: Designing Trustworthy Conversational AI for Sustainability Decision Support

arXiv:2606.13854v1 Announce Type: cross Abstract: We present SpheriCity, an expert-grounded conversational prototype designed to support trustworthy knowledge sensemaking from sustainability reports. City-level circularity assessment reports contain rich information about materials, infrastructure, and policy interventions, yet their length and heterogeneous structure make cross-document synthesis and comparison difficult for practitioners and researchers working on circular economy initiatives. While large language models (LLM) promise faster knowledge access and synthesis, their opaque reasoning, hallucinations, and lack of source transparency introduce risks for trust and interpretability, and require verification in high-stakes sustainability contexts. SpheriCity addresses these challenges through a provenance-first conversational agent that foregrounds evidence traceability, structured synthesis, and interaction scaffolds to support exploratory querying and cross-document synthesis across sustainability reports. We conducted a formative expert review with six sustainability experts using representative queries spanning cross-city comparison, policy summarization, and recommendation-oriented tasks. Experts evaluated responses across dimensions and provided qualitative reflections on the system's usefulness for sustainability knowledge work. Our results reveal that transparent sourcing, contextual explanation, interpretability, and alignment with expert workflow strongly shape expert trust and judgments of system usefulness. This work contributes (1) a conversational prototype for sustainability knowledge sensemaking, (2) an expert-grounded evaluation framework for assessing AI responses in high-stakes knowledge domains, and (3) design insights into how provenance, uncertainty communication, and integration in workflow influence expert users' trust in AI assistance for sustainability decision support.

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

Circuit Tracing in Autoregressive Protein Language Models

arXiv:2606.16044v1 Announce Type: new Abstract: Protein language models (pLMs) can generate novel protein sequences with properties beyond those observed in nature, yet the mechanisms underlying protein generation remain poorly understood. Existing mechanistic interpretability methods based on sparse autoencoders and transcoders primarily focus on protein representation learning models and do not capture the computation required for autoregressive generation. Here, we introduce ProGenMech, a mechanistic interpretability framework for generative protein language models that extends cross-layer transcoders (CLTs) to ProGen3, a sparse Mixture-of-Experts model trained for both causal generation and span infilling. Unlike per-layer approaches, CLTs reconstruct each layer using sparse latent variables from all preceding layers, enabling faithful recovery of inter-layer generative computation. We further develop a zero-shot circuit discovery framework to identify sparse latent circuits responsible for protein generation and fitness prediction. In causal generation and zero-shot fitness estimation tasks, ProGenMech outperforms local transcoder baselines in recovering ProGen3's probability distribution and functional scoring behavior, while matching the original model's generative distribution in span infilling tasks. Moreover, the recovered circuits reveal biologically meaningful motifs and functional regions associated with conserved sequence patterns and protein fitness landscapes, establishing a foundation for interpretable and steerable protein generation.

07.
arXiv (quant-ph) 2026-06-19

Exclusion Statistics as a Thermodynamic Resource in Quantum Heat Engines

arXiv:2606.19310v1 Announce Type: cross Abstract: The maximum power extractable from a quantum thermoelectric heat engine operating with free fermion carriers is bounded by the universal Whitney limit, $P_{fermion}^{\max} \simeq 0.0321\pi^2 k_B^2(T_L-T_R)^2/h$. We demonstrate that this bound is not fundamental to quantum heat engines but is instead an artifact of fermionic statistics. Within the nonlinear Landauer-B\"{u}ttiker framework, a bosonic working medium yields a strictly enhanced universal maximum power, $P_{boson}^{\max} = (\ln 2)^2\, k_B^2(T_L-T_R)^2/h$, exceeding the fermionic limit by a factor of $(\ln 2)^2/(0.0321\pi^2) \approx 1.52$. We propose magnon transport through a ferromagnetic spin chain as an experimentally viable bosonic realization. Incorporating Haldane fractional exclusion statistics with parameter $g$ provides a continuous interpolation between the bosonic ($g = 0$) and fermionic ($g = 1$) limits, revealing a monotonic enhancement of maximum power for $g < 1$ at reduced bias cost. These results establish quantum statistical exclusion as a previously unrecognized and independently tunable thermodynamic resource, opening performance regimes inaccessible to conventional carrier-engineering approaches.

08.
arXiv (CS.CV) 2026-06-24

MATCH: Flow Matching for Multi-View Anomaly Detection

Detecting anomalies in industrial objects is an important topic for increasing production efficiency. More complex objects often require the analysis of several view points, which has led to the field of multi-view anomaly detection. We present MATCH, the first multi-view anomaly detection method based on Flow Matching (FM). With the ODE formulation of Flow Matching, we can estimate likelihoods and thereby derive an anomaly score to detect anomalies in multi-view image data at object, image, and pixel-level. The architectural flexibility of FM models allows us to efficiently transform features of different spatial sizes to the normal distribution. We evaluate thoroughly on the already established Real-IAD data set and are also the first to provide a comprehensive evaluation of popular anomaly detection methods for the MANTA-Tiny data set. MATCH achieves state-of-the-art performance in both anomaly detection and segmentation, all while running on consumer-level hardware. By omitting the costly divergence term needed for likelihood estimation, we ensure that MATCH is usable in real-time production scenarios. Lastly, several ablation studies are conducted to validate the methodological choices.

09.
arXiv (CS.CL) 2026-06-11

Soft-Prompt Tuning for Fair and Efficient LLM Benchmark Evaluation

Benchmark scores often misrepresent a large language model's (LLM's) knowledge, because they rely, e.g., on the model's ability to follow specific formatting requirements. This especially penalizes base models that may know the correct answers but lack the ability – typically introduced in post-training – to structure them as instructed. To overcome this, we propose soft-prompt tuning, an efficient, fair, and architecture-agnostic model evaluation. By optimizing only 10 soft-prompt vectors (roughly 0.0006% parameters for a 7B model) over a short tuning period, we adapt models to specific benchmark formats, closing gaps in format-following and ensuring that underlying knowledge is accurately reflected in benchmark scores. This allows one to fairly compare different base models – trained with various pre-training recipes – on benchmarks without the need for full post-training. We evaluated soft-prompt tuning across 7 models and 7 datasets. The results show that (a) soft-prompt tuning saturates format-following within 80 steps (~640 samples) making it highly efficient, (b) soft-prompt tuning significantly outperforms zero- and few-shot prompting, surfacing base model knowledge that standard prompting misses, that (c) even post-trained models can benefit from soft-prompts to maximize format compliance, and that (d) soft-prompted base model performance predicts post-trained model rankings more reliably than zero- and few-shot baselines, offering a low-cost proxy for downstream model quality. Our contributions include (1) metrics which disentangle format-following and knowledge accuracy, (2) a fairer benchmarking protocol of LLM knowledge, and (3) a cost- and memory-effective recipe to identify optimal pre-training strategies early in LLM development.

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

Single-Round Clustered Federated Learning via Data Collaboration Analysis for Non-IID Data

arXiv:2601.09304v2 Announce Type: replace Abstract: Federated Learning (FL) enables distributed learning across multiple clients without sharing raw data. When statistical heterogeneity across clients is severe, Clustered Federated Learning (CFL) can im-prove performance by grouping similar clients and training cluster-wise models. However, most CFL approaches rely on multiple communication rounds for cluster estimation and model updates, which limits their practicality under tight constraints on communication rounds. We propose Data Collaboration-based Clustered Federated Learning (DC-CFL), a single-round framework that completes both client clustering and cluster-wise learning, using only the information shared in DC analysis. DC-CFL quantifies inter-client similarity via total variation distance between label distributions, estimates clusters using hierarchical clustering, and performs cluster-wise learning via DC analysis. Experiments on multiple open datasets under representative non-IID conditions show that DC-CFL achieves accuracy comparable to multi-round baselines while requiring only one communication round. These results indicate that DC-CFL is a practical alternative for collaborative AI model development when multiple communication rounds are impractical. Our source code is publicly available at https://github.com/souta-suga/DC-CFL.

11.
bioRxiv (Bioinfo) 2026-06-11

Sequence-Based Therapeutic Peptide Classification with Augmented Negative Sampling

Therapeutic peptides offer high target specificity, low toxicity, and the ability to modulate protein-protein interactions, yet experimental functional characterization remains costly and slow. Computational prediction of therapeutic function directly from sequence could accelerate peptide screening and enable generative design pipelines, but requires reliable discrimination between therapeutic and non-therapeutic peptides. Existing multi-label predictors cover few functions, rely on limited datasets, and exhibit high glspl{fpr}, limiting their practical utility. We present a lightweight CNN classifier trained on the most comprehensive therapeutic peptide database to date (54,655 peptides, 48 functional categories). A key contribution is a statistically motivated negative sampling strategy using Markov models to generate diverse synthetic decoys at multiple difficulty levels. When evaluated on this controlled decoy benchmark, the FRP is reduced from over 60% for previous models to 2.1% for our approach. Our fine-tuned five-model ensemble achieves 78.9% Micro F1 and 54.6% Macro F1 while requiring only amino acid sequences as inputs. Analysis using a sparse L1-constrained variant of our model shows that convolutional filters capture conserved functional motifs and statistically improbable non-therapeutic patterns, with downstream layers combining these signals, providing mechanistic evidence that the network learns biologically meaningful structure. In a generalization task on the TPpred-LE benchmark, our model achieves 55.3% Micro F1 and 38.6% Macro F1, comparable to TPpred-LE trained on its native dataset (57.9%/38.1%) while predicting four times more therapeutic functions with four times fewer parameters. Code and models will be made available at https://github.com/terra-quantum-public/tq-therapep-ai.

12.
arXiv (quant-ph) 2026-06-19

Quantum deformations of $\mathcal{U}(\mathfrak{sl}(2, \mathbb{R}))$. Part I: Fidelity and experimental benchmarking

arXiv:2606.19462v1 Announce Type: new Abstract: This work explores the effects of both the standard quantum $q$-deformation and the non-standard $h$-deformation of the Hopf algebra $\mathcal{U}(\mathfrak{sl}(2, \mathbb{R}))$ on multi-qubit systems. By constructing the states of a Hilbert space of $N$ qubits through the Clebsch-Gordan coefficients associated with the deformed algebras, we show that these states naturally coincide with the eigenstates of the Hamiltonian of the $q$- and $h$-deformed Kittel-Shore models. We compare the resulting deformed states with those typically targeted in quantum information experiments, providing a bridge between algebraic constructions and experimentally relevant quantum resources. Fidelities with respect to the undeformed states are computed to establish how the quantum correlations are affected, both for few-qubit systems (including Dicke and non-Dicke states), and in the macroscopic limit ($N \to \infty$) through closed-form formulas derived for arbitrary Dicke states. The results reveal different behaviors between the two deformations. The $q$-deformation smoothly modifies the states and maintains a residual overlap with the original configurations, while the $h$-deformation rapidly makes the states orthogonal to their undeformed counterparts. Both models demand a standard $N^{-1}$ rescaling to preserve fidelity stability in the macroscopic limit.

13.
bioRxiv (Bioinfo) 2026-06-17

MetaHarmonizer: robust biomedical metadata harmonization and a contamination control for inflated LLM performance on public benchmarks

Public biomedical repositories hold substantial reuse potential, but inconsistent metadata routinely blocks integration across studies. Recent LLM-based harmonization approaches address scale but suffer from non-determinism, hallucinated ontology terms, and, in their highest-accuracy configurations, dependence on proprietary APIs or labeled fine-tuning data. A more fundamental concern is that LLM accuracies on widely-used public benchmarks may substantially inflate transferable capability: under a contamination-controlled evaluation protocol we developed, the apparent LLM-only advantage on the GDC schema-mapping benchmark is inverted, and three out of five LLMs recover 80 -100% of GDC identifiers from zero-schema context, suggesting direct memorization. Building on this insight, we present MetaHarmonizer, an automated metadata harmonization system designed to be robust by construction: SchemaMapper aligns attribute names across schemas, and OntologyMapper standardizes values to controlled vocabularies. Both modules implement a multi-stage cascade that escalates to more resource-intensive methods only when earlier stages fall short, with all candidates grounded in pre-defined controlled vocabularies to preclude hallucinated outputs and LLMs used only as bounded preprocessing components rather than inference-time dependencies. On the GDC schema-matching benchmark, SchemaMapper with the deployment-optimized LLM-generated alias dictionary achieved 71.6% Top-1 accuracy and the higher Recall@GT than Magneto bipartite variants, recovering significantly more ground-truth mappings; with the best performing alias dictionary, it reached the highest Top-1/Top-5/Recall@GT, and also matched the best Magneto reranker (fine-tuned LLM-reranker) on MRR; and it also outperforms LLM-only performance under contamination-controlled conditions. On four EFO benchmarks, OntologyMapper achieved 77.9 - 95.5% Top-1 accuracy, outperforming text2term by up to 16.4 pp and direct LLM inference (against the smaller corpus) by 19.2 pp because memorization is not a viable shortcut for this task. Across both modules, calibrated confidence scores separate correct from incorrect predictions (AUC 0.73 - 0.94), enabling principled human-in-the-loop triage. Inference is fully local, deterministic, and computationally efficient - seconds on schema mapping and under a minute for ontology mapping of up to ~7,000 terms against the pre-indexed 33,230-term corpus. Released as a Python package with a domain-agnostic architecture, MetaHarmonizer provides a scalable foundation for improving the FAIRness of biomedical data and enabling cross-study integration, alongside an evaluation methodology applicable to any LLM-augmented bioinformatics benchmark built on public benchmarks.

14.
medRxiv (Medicine) 2026-06-16

The Target48 Neurodegeneration Panel: A Novel Tool for Profiling Protein Signatures in Neurodegenerative Disorders

Introduction: Novel tools for absolute quantification of established and emerging fluid neuro-biomarkers are required to advance diagnostic studies and improve biological insights. Methods: We conducted an extensive analytical and clinical validation of the Olink Target 48 Neurodegeneration panel (T48 Neuropanel) in 352 paired CSF and plasma samples from cognitively unimpaired controls (CU), Alzheimer dementia (AD), frontotemporal dementia (FTD), and dementia with Lewy bodies (DLB), n=44 per group. Comparisons with benchmark assays were performed. Results: Good detectability (CSF: 31 out of 42 assays; plasma: 38 out of 42 assays) and technical performance was observed. Benchmark assays showed good correlations, supporting method transformation formulas. Next to emerging biomarkers (MMP10, ITGB2), discriminative performance was excellent in AD: CSF pTau217: AUC=1; FTD: plasma NfL: AUC=0.952; and DLB: CSF DDC: AUC=0.901. Discussion: This analytical and clinical validation of the T48 Neuropanel highlights initial cut-offs and emerging biomarkers to aid clinical studies for the diagnosis, prognosis, and monitoring of neurodegenerative diseases. Highlights: The T48 Neuropanel shows robust analytical performance, with high detectability across both plasma and CSF matrices. The T48 Neuropanel validates established (i.e., pTau217, Abeta42, NfL, and GFAP) and emerging biomarkers (i.e., DDC, MMP10, ITGB2, ITGAM, NPTX2, NPTXR, SMOC1, sTREM1, and sTREM2) in CSF and plasma. CSF NfL, GFAP, ITGB2, and ITGAM and plasma GFAP were dysregulated across AD, FTD, and DLB dementias. -The multiplex design of the T48 Neuropanel enables rich biological interpretation by simultaneously quantifying established and emerging neurodegeneration biomarkers. Importantly, the inclusion of absolute quantification facilitates the establishment of cut-offs, supporting its potential for clinical translation.

15.
arXiv (CS.CL) 2026-06-18

Breaking the Solver Bottleneck: Training Task Generators at the Learnable Frontier

The limiting resource for training agents via reinforcement learning (RL) is increasingly frontier task supply: valid, solvable tasks just difficult enough to train the current model. As reasoning and agentic models improve, fixed task distributions saturate, while naive synthetic generation yields tasks that are trivial, impossible, or ill-posed. Training a task generator with RL to optimize validity and learnability can address this bottleneck, but direct optimization requires repeated solver rollouts per candidate. For software-engineering (SWE) tasks, a single rollout can take tens of minutes; solver-in-the-loop generator training is intractable. We introduce PROPEL, a solver-amortized framework for training task generators at the targeted solve rate. PROPEL trains a lightweight activation probe on a one-time labeled corpus of generated tasks and solver outcomes. The probe predicts target-solver pass rate from a frozen generator reference model and serves as a proxy for solve rate during generator optimization, reducing generator evaluation to a single forward pass. Across math, code, and software-engineering at multiple model scales, PROPEL shifts generation toward the targeted solve rate: for coding, tasks generated at the learnable frontier increase from $10.1\% \rightarrow 20.0\%$ for a Qwen2.5-3B-Instruct solver and from $5.3\% \rightarrow 12.6\%$ for a Qwen2.5-7B-Instruct solver. For SWE, PROPEL increases the share of generations at the targeted solve rate from $9.8\% \rightarrow 19.6\%$ for Qwen3.5-27B on repositories not seen during training of probe and generator.

16.
arXiv (CS.LG) 2026-06-24

The Cost Geometry of Belief: finite-resource inference under noisy observation

arXiv:2606.21585v2 Announce Type: replace Abstract: A finite machine's digital twin of a system observes the territory through finite, noisy sensors; we model its coherent output as a belief, a probability density over states, the Bayes posterior, never a point. Certainty, the perfect twin, is denied twice, by observation and by physics, both read off the Fisher information. To make this finiteness geometric, we model what it costs to change a belief: a belief-cost geometry, optimal transport in Wasserstein space reweighted conformally by Fisher information. The framework rests on two posed commitments: that revision cost is a scalar price on transport (the arena), and that the price is honest: one nat costs the same length everywhere. Honesty selects the Fisher reweighting because transport demotes the Fisher information from the metric ruler of distinguishability to the slope of entropy, the move that sets transport apart from Fisher-Rao. From these two postulates, three results follow on the conformal class (essentially location-scale), all invariants of one change of cost unit. A wall: a well-posed inference rejects certainty to infinite distance as soon as the cost dominates the Fisher information (necessity conjectured beyond power laws). An honest family: the eikonal price where each nat the same length everywhere, is equivalent to proportionality U=cJ, the Fisher family. A rigidity: these geometries are hyperbolic, and the Stam bound crowns the Gaussian, the most hyperbolic location-scale belief; -1/4 is one image of a relativity of cost. The cost of reaching a given precision then has a geometric cost floor diverging at certainty. Thermodynamics fixes the cost unit and motivates the framework; the results are geometric, in nats.

17.
arXiv (CS.AI) 2026-06-16

Policy Regret for Embedding Model Routing: Contextual Bandits with Low-Rank Experts

arXiv:2606.14929v1 Announce Type: cross Abstract: Modern recommendation systems increasingly rely on dynamically routing diverse queries to multiple embedding models. Despite its practical significance, this problem remains poorly understood under realistic conditions like adversarial queries, bandit feedback, and limited observability of models. We formalize embedding model routing as an adversarial contextual linear bandit with low-rank experts, where contexts are queries, actions are items, and experts are the embedding models working on low-rank latent representation spaces. We first establish that standard regret notions suffer from structural misspecification or statistical intractability, and we identify a log-quadratic policy class that is expressive enough to capture query-dependent model routing, yet structured enough to allow efficient online learning. Second, we propose a policy gradient algorithm called Hypentropy Policy Gradient (HPG). It provably adapts to the unknown low-rank structure under incomplete information and attains $\tilde{\mathcal O}(s\sqrt{M T})$ linearized policy regret – where $s, M$, and $T$ are the intrinsic rank of the experts, the number of models, and the number of rounds – thus avoiding a curse of dimensionality. Finally, we also provide an computationally efficient and parameter-free implementation of HPG.

18.
arXiv (CS.AI) 2026-06-15

Learning High Coverage Discriminative Parsimonious Rulesets

arXiv:2606.14156v1 Announce Type: cross Abstract: Learning systems based on IF-THEN rule representations readily offer interpretability, making them a crucial focus in contemporary AI research. A key objective for such rule sets is to achieve both high discriminative power and interpretability. While existing state-of-the-art algorithms implicitly prioritize predictive accuracy, they often fall short on one or more quality metrics that ensure interpretability, such as coverage and parsimony of rule sets. Motivated by this, this paper propose the development of CDPR, which aims to create highly accurate and interpretable rule sets for classification problems. To the best of our knowledge, this represents the first attempt to establish such an approach. In this study, we introduce two algorithms rooted in submodular maximization, which not only provide provable guarantees on coverage but also yield rule sets that are both discriminative and parsimonious. We empirically demonstrate that rule sets learned through our approaches achieve higher accuracy and interpretability and has more than a 2.5-fold improvement in average coverage rates when compared to the next best algorithm.

19.
arXiv (CS.LG) 2026-06-11

Last-Iterate Convergence of Optimistic Multiplicative Weight Update

arXiv:2606.11773v1 Announce Type: cross Abstract: Optimistic Gradient Descent Ascent (OGDA) and Optimistic Multiplicative-Weights Update (OMWU) are two very popular algorithms to solve convex/concave saddle-point problems, where OMWU is the non-Euclidean, entropic version of OGDA. It is known since the '80s that the last iterate of OGDA asymptotically converges to a saddle point in smooth problems. On the other hand, it is unknown if OMWU has the same property. In this paper, I show that OMWU converges asymptotically for smooth convex-concave saddle-point problems, with a small enough constant learning rate. The result does not require uniqueness, strict complementarity, an error bound, or initialization near a solution. The main new ingredient is a boundary argument showing that every cluster point satisfies the inactive-coordinate KKT inequalities. The boundary argument was discovered with assistance from ChatGPT and is documented in the appendix.

20.
arXiv (quant-ph) 2026-06-15

Trap-Quenched Matter-Wave Optics for Dual Species Lensing

arXiv:2606.14577v1 Announce Type: cross Abstract: Dual-species atom interferometry in space promises precise tests of the Universality of Free Fall (UFF), with a sensitivity that grows quadratically with the extended interrogation time accessible in weightlessness. These tests demand exquisite control over the expansion energies of both condensed sources as well as over their differential center-of-mass dynamics. We propose a trap-quenched collimation technique featuring in-trap excitations of collective modes compatible with state-of-the-art atom-chip setups. Using NASA's Cold Atom Laboratory aboard the International Space Station, we demonstrate it on a single-species $^{87}$Rb condensate. By controlling the center-of-mass release dynamics we observe free expansion times up to 700 ms and measure a two-dimensional expansion energy of $k_B \cdot 78\pm 9 \;\mathrm{pK}$ in the imaging plane. A detailed model of the magnetically-induced dynamics indicates that this corresponds to a two-dimensional expansion energy of about $k_B \cdot 15^{+12}_{-5}\; \mathrm{pK}$ along two of the condensate's eigenaxes. Finally, we theoretically study this trap-quenched collimation scheme for a $^{41}$K-$^{87}$Rb mixture, predicting a simultaneous collimation that meets the expansion energy requirements for a state-of-the-art UFF test at the $10^{-15}$ accuracy level.

21.
arXiv (quant-ph) 2026-06-16

What does measuring one qubit reveal about another? $K$-networks as a directed diagnostic for quantum circuits

arXiv:2606.16549v1 Announce Type: new Abstract: Many-qubit circuit states are hard to inspect directly, so they are often summarized by pairwise graph weights. Common pairwise weights report symmetric correlations, while many circuit questions are directed and basis-specific: if qubit $i$ is measured in a given basis, how strongly does the outcome reshape the conditional state of qubit $j$? We define $K_{i\to j}$, a directed, basis-conditioned edge weight for this question. It is large when the two measurement outcomes occur with comparable probability and leave qubit $j$ in clearly different conditional states; it is zero when the source outcome is deterministic or the target states are indistinguishable. The scalar uses standard binary-ensemble distinguishability; the paper's contribution is to turn this conditional comparison into a directed network layer for circuit states. The resulting networks are computable from two-qubit reduced density matrices. They are diagnostic (not entanglement measures): for pure two-qubit states $K$ reduces to the tangle $C^2$ (squared concurrence)[WoottersConcurrence,CKWTangle], while separable mixed states can reach $K=1$. Examples on teleportation, Grover, QAOA, and random circuit families show the intended use: $K$-networks map feed-forward, phase, and interaction-graph structure that symmetric or computational-basis summaries can leave weak or absent.

22.
PLOS Computational Biology 2026-06-02

PepAnno: A structure-aware deep learning framework for bioactive peptide prediction, structural visualization, and physicochemical profiling

作者:

by Enyan Liu, Yueming Hu, Liya Liu, Yifan Chen, Shilong Zhang, Sida Li, Haoyu Chao, Luyao Xie, Yi Shen, Liangwei Wu, Julio Raúl Fernández Massó, Ming Chen Peptides are gaining prominence as therapeutic candidates due to their diverse physiological functions and structural simplicity. Although multiple computational tools exist for bioactive peptide prediction, many suffer from limitations such as non-intuitive interfaces, sequence-only representations, insufficient structural awareness, restricted interpretability, or fragmented analysis workflows, leading to reduced research efficiency and higher costs. To address these challenges, we present PepAnno (https://bis.zju.edu.cn/pepanno/), a comprehensive and user-friendly web server for multi-functional peptide annotation. PepAnno is powered by a novel structure-aware, multi-view geometric deep learning framework that integrates pre-trained sequence embeddings with predicted 3D structural graphs through a dual-stream architecture combining a Transformer and a GATv2 network. A cross-modal attention mechanism is employed to effectively fuse semantic and geometric representations, enabling accurate multi-task prediction across 7 key bioactivities, including antimicrobial and anticancer properties. Comprehensive evaluation on seven curated bioactivity datasets demonstrates that PepAnno achieves robust and competitive predictive performance across tasks, consistently outperforming or matching existing methods in terms of discrimination and stability. Beyond functional prediction, PepAnno provides automated calculation of physicochemical properties, structure visualization, and access to an integrated repository of peptide-related databases and tools. By enabling one-click peptide annotation, PepAnno offers an efficient and interpretable solution for large-scale peptide analysis and facilitates downstream experimental design and peptide-based drug discovery.

23.
bioRxiv (Bioinfo) 2026-06-13

Testing the reliability of AI-generated protein structures

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

24.
arXiv (CS.AI) 2026-06-12

When Does Delegation Beat Majority? A Delegation-Based Aggregator for Multi-Sample LLM Inference

arXiv:2606.08098v2 Announce Type: replace Abstract: Majority voting over sampled answers is the dominant unsupervised aggregator for multi-sample LLM inference. In this paper, we show a delegation-based aggregator (Propagational Proxy Voting, PPV; Sakai et al., 2025) yields an unsupervised consensus rule that beats majority on MMLU-Pro by +1.5 pp overall and +2.24 pp on the non-trivial subset (paired McNemar p ~ 1.0e-14, n = 8,099). Majority discards two signals that every sample carries: within-group letter entropy and between-group reasoning geometry. PPV exposes per-voter levers that consume exactly these two signals: When (how much weight a voter keeps on its own pick) and Whom (how it splits the remainder across peers). We drive When with letter entropy and Whom with per-question-centered embedding cosine. Our method needs no gold labels and no auxiliary training: per-question, we partition 128 sampled generations into 16 groups, compute each group's letter-level semantic entropy and reasoning embedding centroid, and feed both into a stochastic delegation matrix whose stationary distribution selects the consensus answer. We walk through an example in which PPV overturns a clear 10-6 majority for the wrong letter: the 10-voter majority cluster is geometrically incoherent (mean within-cluster cosine -0.02) while the 6-voter minority is tight (+0.26), so propagated delegation mass concentrates on the minority's answer even though entropy alone would keep the majority ahead. We further report delegation strategies with negative results that constrain the design space for unsupervised LLM aggregation. No within-question ensemble of confidence modes closes the oracle gap.

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

Clustering Node Attributed Networks with Graph Neural Networks and Self Learning

arXiv:2606.13444v1 Announce Type: new Abstract: Graph clustering - partitioning the node set of a graph into disjoint subsets that reflect some latent information - is a fundamental problem as it finds applications in a myriad of different scenarios. While this classic problem has been tackled for decades by different communities, a recent variation of the problem driven by real data considers the scenario where nodes have attributes that are also informative. This has triggered novel methods that simultaneously leverage network information (edges) and node information (attributed) in the design of novel clustering algorithms. This work proposes a novel framework that builds on prior works that have applied graph neural networks (GNN) to graph clustering. The proposed framework operates in rounds of self learning in a fully unsupervised setting. In each round, a GNN generates representations for nodes that are used to cluster the nodes. This clustering influences the graph used to generate the node representation in the next round. Moreover, a context graph built in each round using the original graph is used to generate the node representations. Empirical results show that the proposed methodology extracts information from both network edges and node attributes in synthetic data, outperforming algorithms focused solely on the network or attributes when neither are very informative. Multiple rounds of learning also improve the performance and always outperforms a long single round of training (i.e., classic GNN graph clustering). When considering real datasets, empirical results indicate that the proposed methodology is competitive to state-of-the-art methods when cluster sizes are balanced.