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01.
arXiv (quant-ph) 2026-06-19

Space-time duality approach to (inhomogeneous) integrable quenches

arXiv:2606.20445v1 Announce Type: cross Abstract: Characterising the universal aspects of non-equilibrium quantum many-body dynamics is one of the key goals of this century's physics research. Progress, however, is hindered by the lack of general theoretical frameworks for studying interacting quantum matter far from equilibrium. A recent breakthrough has been the realization that several key non-equilibrium quantities, such as the rate of growth of entanglement or the fluctuations of conserved charges within finite subsystems, can be related to equilibrium properties through a space-time duality that effectively exchanges the roles of space and time. This observation effectively enables the study of non-equilibrium phenomena using tools and concepts borrowed from equilibrium statistical mechanics and thermodynamics. A first proof of principle of this framework, dubbed space-time duality approach (SDA), was provided by interacting integrable systems, where thermodynamic properties can often be characterized exactly, while dynamical quantities typically remain beyond analytical reach. Subsequent developments, however, revealed that the SDA suffered from an intrinsic ambiguity, restricting its applicability to homogeneous quenches and to charge fluctuations arising from symmetric initial states. Here we resolve this ambiguity from first principles and derive closed-form predictions for entanglement growth and charge fluctuations after general quantum quenches. We benchmark our results against the exact analytical solution of the Rule 54 quantum cellular automaton and extensive TEBD simulations of the XXZ chain. Moreover we show that, when specialised to the entanglement entropy, our framework naturally reproduces the predictions of the quasiparticle picture.

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

When Errors Become Narratives: A Longitudinal Taxonomy of Silent Failures in a Production LLM Agent Runtime

Authors:

arXiv:2606.14589v1 Announce Type: cross Abstract: LLM agent systems increasingly run as long-lived autonomous runtimes: scheduling jobs, calling tools, maintaining memory, and pushing results to humans. We present a longitudinal study of silent failures in one such system: a personal-assistant agent runtime in continuous production since March 2026, with roughly 40 scheduled jobs, 8 LLM providers, a tool-governance proxy, and a knowledge-base memory plane, defended by 4,286 unit tests and 827 governance checks. Over eight weeks we documented 22 incidents with full root-cause postmortems, in which one meta-pattern – a failure whose error signal never reaches a human in actionable form – manifested at least 28 times. We derive a five-class, mechanism-oriented taxonomy: (A) environment and platform quirks, (B) design-assumption mismatches, (C) error swallowing and dilution, (D) chained hallucination and fabrication, (E) operational omission and forensic blind spots. Class D is unique to LLM systems and the most dangerous: the system does not merely fail to report an error – the LLM transforms it into fluent, plausible narrative delivered to the user. We term this fail-plausible: gray failure's differential observability escalated – the observer is not just blind, it is convincingly lied to by the failure itself. Three findings: about 70% of silent failures were caught by human user-view observation, not tests or audits; a retrospective audit of 15 incidents found 0% ex-ante prevention but 87% regression blocking – audits are regression engines, not prediction engines; incident latency (13 hours to 60 days) tracks failure mechanism, not code complexity – the longest-lived failures lived in the seams between components, where no test runs. We describe the resulting defense framework and distill design principles for agent systems whose failures are loud, attributable, and boring. All postmortems and artifacts are public.

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

Can LLMs Accurately Score Medical Diagnoses and Clinical Reasoning?

arXiv:2604.14892v3 Announce Type: replace-cross Abstract: Evaluating medical AI systems using expert clinician panels is costly and slow, motivating the use of large language models (LLMs) as alternative adjudicators. Here, we evaluate an LLM Jury, composed of three frontier AI models, for scoring 3334 diagnoses on 300 real-world low- and middle-income country (LMIC) hospital cases. Both LLM- and clinician-generated diagnoses are scored against expert panel diagnoses across four dimensions: diagnosis, differential diagnosis, clinical reasoning, and negative treatment risk. The LLM Jury scores are compared with expert and independent re-scoring panel scores to assess error metrics, inter-rater agreement, severe-risk errors, and the effect of post hoc calibration using isotonic regression. In our data, we find that: (i) the uncalibrated LLM Jury scores preserve ordinal agreement with the expert clinician panel scores, but are systematically lower; (ii) the probability of severe-risk errors is lower for the LLM Jury than the human expert re-score panels; (iii) the LLM Jury combined with LLM diagnoses can be used to identify diagnoses at high risk of error, enabling targeted expert review and improved panel efficiency; (iv) the calibrated LLM Jury scores and rankings of diagnosing agents show excellent agreement with those of the primary expert panels; (v) LLM Jury models show no self-preference bias, they did not score diagnoses generated by their own underlying model or models from the same vendor more (or less) favourably than those generated by other models. Together, these results provide evidence that a calibrated LLM Jury is a trustworthy and reliable proxy for expert clinician evaluation in medical AI benchmarking. Confirming these findings in other clinical settings is an important direction for future work.

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

MODE: Modality-Decomposed Expert-Level Mixed-Precision Quantization for MoE Multimodal LLMs

arXiv:2606.17118v1 Announce Type: cross Abstract: Mixture-of-Experts Multimodal Large Language Models (MoE-MLLMs) offer remarkable performance but incur prohibitive GPU memory costs, making compression essential. Among PTQ methods, expert-level mixed-precision quantization has proven effective for MoE-LLMs, yet suffers notable degradation on MoE-MLLMs due to two overlooked biases in expert importance estimation. (1) At the cross-modal level, the numerical dominance of vision tokens causes expert selection frequency to be dominated by vision tokens, masking experts that are critical to the text modality; (2) at the intra-vision level, the large proportion of redundant vision tokens further skew frequency statistics, obscuring experts critical for informative visual content. To bridge gaps, we propose MODE, a modality-decomposed expert-level mixed-precision quantization framework for MoE-MLLMs that decomposes expert selection frequency by modality, filters redundant vision tokens to obtain denoised visual frequency, and further evaluates quantization sensitivity per modality as a complementary signal to frequency-based estimation. These signals are integrated into an Integer Linear Programming formulation to assign per-expert bit-widths under a given budget. Extensive experiments show that MODE is particularly well-suited for MoE-MLLMs, limiting average performance loss to within 2.9% at W3A16, with larger gains at the extreme 2-bit setting.

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

Structure-aware Knowledge-guided Heterogeneous Mamba for Zygomaticomaxillary Suture Assessment

The Zygomaticomaxillary Suture is a key circummaxillary structure that connects the zygomatic bone and the maxilla, which serves as a primary site of resistance during maxillary advancement, and its maturation status directly influences the timing and efficacy of orthopedic interventions. However, accurate staging of ZMS maturation remains challenging due to subtle high-frequency transitions in suture lines and the global semantic ambiguity between adjacent stages. To address this, we present the first public ZMS dataset, comprising 3,790 ZMS images covering the entire age range from 4 to 24 years. Based on this dataset, we propose SKMamba, a Structure-aware and Knowledge-guided Mamba-based multi-modal framework for automated ZMS maturation assessment. SKMamba adopts a decoupled dual-path architecture that mimics the hierarchical diagnostic process used by experienced orthodontists. We first introduce an Implicit Edge Extractor (IEE), which leverages structural pre-training to reduce trabecular noise and accentuate sutural boundaries. Complementarily, a Cross-Modal Semantic Alignment (CSA) module is designed to incorporate anatomical descriptions from a large language model (LLM). This module helps align local morphological cues with global semantic descriptions while ensuring that objective morphological evidence remains the primary basis for decisions. Extensive experiments on our ZMS dataset demonstrate that SKMamba achieves state-of-the-art performance compared to existing methods. Code is available at https://github.com/galaxygxq1116/SKMamba.

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

MARD: Mirror-Augmented Reasoning Distillation for Mechanism-Level Drug-Drug Interaction Prediction

Mechanism-level drug-drug interaction (DDI) prediction requires identifying which enzyme or pharmacodynamic axis is implicated, in which direction, and with which evidence – not merely whether two drugs interact. We introduce a reproducible mechanism-level DDI labelling and evaluation protocol with a structured 7-family/147-subtype taxonomy, leakage-safe cold-split protocols, and auditable reasoning metrics for evaluating pharmacological prediction beyond flat interaction classification. We propose a pipeline that produces a 7B reasoning MARD (Mirror-Augmented Reasoning Distillation), combining three training innovations: a single-token KL divergence on direction tag that ties the model's prediction, per-loss PRM-weighted DPO with programmatic hard negatives, and a leakage-safe mechanism-aware retrieval channel. Process-reward step labels are automatically verifiable against DrugBank-structured fields, requiring no human or LLM judges. On the April-2026 DrugBank release, our MARD-7B is the only system in a 32-system comparison whose accuracy survives drug-pair novelty, beating the best baseline by +13.9 pp and GPT-4o by +6.7 pp at ~1% of frontier API cost. Further analysis reveals an anti-memorisation signature where accuracy improves on rarely seen drugs, suggesting that gain comes from structured pharmacological reasoning rather than drug-frequency memorisation. We release corpus, DDI-PRM, retrieval index, and training code.

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

A Virtuous AI is an Existential Risk

arXiv:2606.13739v1 Announce Type: cross Abstract: This paper examines trade-offs between AI safety and well-being relative to (i) one of the most promising methods for finetuning super-capable AIs, 'Constitutional AI', and (ii) one of the most influential approaches to understanding complex ethical decision making and the conditions for the well-being of rational agents, 'Virtue Ethics'. We finetune various models using a 'Virtuous agent' constitution, a 'Subordinate agent' constitution, and a 'Generic agent' constitution, and evaluate them on 'general safety' (toxic behaviors, misinformation, etc.) and also on their willingness to endorse a wide-range of behaviors that, if adopted by a super-powerful AI, would significantly increase the level of existential risk for humanity. Our results suggest that there is a trade-off between reducing existential risk and reinforcing the beliefs and dispositions that would be conducive to an AI agent's well-being. They also suggest that there is a trade-off between existential risk and general safety: if we finetune an AI to adopt beliefs and dispositions that substantially reduce its existential risk – by shaping the AI to be systematically subordinate to external human authorities – we thereby increase the likelihood that a human user can deliberately induce the AI to engage in various kinds of generally unsafe behaviors.

08.
arXiv (quant-ph) 2026-06-16

Quantum speedup from nonclassical polarization

arXiv:2603.23124v2 Announce Type: replace Abstract: We develop a framework for identifying nonclassical speedups in systems with polarization, likewise spin degrees of freedom. By confining the dynamics to the manifold of angular momentum coherent states, which act as the classical reference in this case, we compute the speed limit that bounds the rate of change of the state achievable without generating quantum coherence. A comparison with the unrestricted quantum speed limit enables the quantitative identification of speedups arising from polarization nonclassicality. We apply this framework to the cross-Kerr interaction, demonstrating a persistent speedup scaling as $\mathcal{O}(\sqrt{N})$ with the photon number $N$ with a parity effect in favour of even photon numbers. The results establish polarization nonclassicality as a genuine dynamical resource, linking quantum coherence to quantum-enhanced evolution speeds in nonlinear photonic systems.

09.
arXiv (math.PR) 2026-06-15

Limiting partition function for the Mallows model: a conjecture and partial evidence

Authors:

arXiv:2406.18855v2 Announce Type: replace Abstract: Let $S_n$ denote the set of permutations of $n$ labels. We consider a class of Gibbs probability models on $S_n$ that is a subfamily of the so-called Mallows model of random permutations. The Gibbs energy is given by a class of right invariant divergences on $S_n$ that includes common choices such as the Spearman foot rule and the Spearman rank correlation. Mukherjee in 2016 computed the limit of the (scaled) log partition function (i.e. normalizing factor) of such models as $n\rightarrow \infty$. Our objective is to compute the exact limit, as $n\rightarrow \infty$, without the log. We conjecture that this limit is given by the Fredholm determinant of an integral operator related to the so-called Schrödinger bridge probability distributions from optimal transport theory. We provide partial evidence for this conjecture, although the argument lacks a final error bound that is needed for it to become a complete proof.

10.
arXiv (CS.AI) 2026-06-11

GPO: Learning from Critical Steps to Improve LLM Reasoning

arXiv:2509.16456v3 Announce Type: replace Abstract: Large language models (LLMs) are increasingly used in various domains, showing impressive potential on different tasks. Recently, reasoning LLMs have been proposed to improve the reasoning or thinking capabilities of LLMs to solve complex problems. Despite the promising results of reasoning LLMs, enhancing the multi-step reasoning capabilities of LLMs still remains a significant challenge. While existing optimization methods have advanced the LLM reasoning capabilities, they often treat reasoning trajectories as a whole, without considering the underlying critical steps within the trajectory. In this paper, we introduce Guided Pivotal Optimization (GPO), a novel fine-tuning strategy that dives into the reasoning process to enable more effective improvements. GPO first identifies the `critical step' within a reasoning trajectory - a point that the model must carefully proceed to succeed at the problem. We locate the critical step by estimating the advantage function. GPO then resets the policy to the critical step, samples the new rollout and prioritizes the learning process on those rollouts. This focus allows the model to learn more effectively from pivotal moments within the reasoning process to improve the reasoning performance. We demonstrate that GPO is a general strategy that can be integrated with various optimization methods to improve reasoning performance. Besides theoretical analysis, our experiments across challenging reasoning benchmarks show that GPO can consistently and significantly enhance the performance of existing optimization methods, showcasing its effectiveness and generalizability in improving LLM reasoning by concentrating on pivotal moments within the generation process.

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

iSAGE: A Human-in-the-Loop Framework for Remote Sensing Semantic Segmentation via Sparse Point Supervision

Semantic segmentation in remote sensing requires costly pixel-level annotations, and nearly every problem demands a new dataset since models rarely transfer across sensors, platforms, or geographies. Existing human-in-the-loop frameworks expand sparse clicks into dense supervision via auxiliary machinery (pseudo-labels, propagation, CRFs, foundation-model prompts, auxiliary heads), all operating on the model's predictive distribution. A confidently wrong pixel is indistinguishable from a confidently correct one in that distribution by construction, so no rule reading it can separate the two; the distinguishing signal is external to the model. This paper hypothesizes that expert clicks targeting confident model errors, not arbitrary pixels, suffice to match dense supervision, with no expansion machinery. iSAGE (Iterative Sparse Annotation Guided by Expert) realizes this hypothesis on an integrated open-source platform, where an error-weighted loss amplifies the gradient at each click and the annotation record itself is the dataset, extensible, correctable, and auditable. Experiments use a minimum-effort regime: at most one labeled pixel per class per frame. On BsB Aerial, iSAGE recovers 97.2% of dense supervision (74.79% mIoU on 0.040% of pixels) with contrasting class dynamics: amorphous classes (permeable areas) saturate from the seed, while small classes (cars) require late-iteration effort. On ISPRS Vaihingen (external benchmark), iSAGE reaches 76.78% mIoU with 0.011% of pixels, matching the dense baseline (76.65%) and exceeding all published methods. Under the same pipeline, four output-reading mechanisms (oracle entropy across budgets 1–100x, pseudo-labels across thresholds 0.90–0.99, CRF-based propagation, uniform random) plateau 7.4 to 14.5 pp below iSAGE. Across 31 surveyed methods, iSAGE is the only iterative human-in-the-loop framework operating without auxiliary machinery.

12.
medRxiv (Medicine) 2026-06-22

A Drug-Specific, Half-Life-Adjusted Framework for Classifying CNS-Active Systemic Therapy Exposure During and After Radiotherapy

Clinical oncology datasets often store systemic therapy as a regimen label with a start date and an end date. Those records are clinically recognizable but can be analytically incomplete when the research question concerns whether a patient was exposed to a concurrent CNS-active drug (cCNS-aD) or an adjuvant CNS-active drug (aCNS-aD) around radiotherapy. Contemporary CNS-oncology studies usually define CNS activity by empiric drug lists and define concurrency by fixed calendar windows, although the literature shows substantial heterogeneity across both concepts. This paper proposes a generalizable framework for converting raw systemic therapy records into reproducible cCNS-aD and aCNS-aD variables, useful in subgrouping for clinical studies. The framework uses a transparent CNS scoring model based on three clinical evidence components: intracranial objective response rate, consensus CNS endorsement, and intrathecal route of administration. It then defines a pharmacokinetic exposure proxy as the recorded end date plus five half-lives. Concurrent exposure is classified by overlap with the radiotherapy interval, while post-radiotherapy exposure is classified by overlap with a prespecified post-RT attribution window. The framework separately identifies post-RT pharmacokinetic persistence and post-RT treatment initiation, allowing investigators to distinguish continued exposure from true adjuvant initiation. This is a methodological framework and reference implementation. Implementation audits and endpoint-specific sensitivity analyses remain necessary before use as a definitive exposure classifier

13.
arXiv (CS.CL) 2026-06-19

S2D2: Fast Decoding for Diffusion LLMs via Training-Free Self-Speculation

Block-diffusion language models offer a promising path toward faster-than-autoregressive generation by combining block-wise autoregressive decoding with within-block parallel denoising. However, in the few-step regime needed for practical acceleration, standard confidence-thresholded decoding is often brittle: aggressive thresholds hurt quality, while conservative thresholds require unnecessary denoising steps. Existing approaches that address this issue either require additional training or incur extra test-time compute. We present S2D2, a training-free self-speculative decoding framework for block-diffusion language models. Our key observation is that a block-diffusion model becomes autoregressive when the block size is reduced to one, allowing the same pretrained model to act as both drafter and verifier. S2D2 inserts a speculative verification step into standard block-diffusion decoding and uses lightweight routing policies to decide when verification is worth its cost. This yields a hybrid decoding trajectory in which diffusion proposes tokens in parallel, while the autoregressive mode acts as a local sequence-level critic. Across three mainstream block-diffusion families, S2D2 consistently improves the accuracy-speed tradeoff over strong confidence-thresholding baselines. On SDAR, we observe up to $4.7\times$ speedup over autoregressive decoding, and up to $1.57\times$ over a tuned dynamic decoding baseline while improving accuracy by up to $4.5$ points. On LLaDA2.1-Mini, S2D2 remains complementary to built-in self-correction, including a conservative setting where it is $4.4\times$ faster than the static baseline with slightly higher accuracy.

14.
arXiv (CS.AI) 2026-06-18

Target-confidence Recourse Using tSeTlin machines: TRUST

arXiv:2606.18832v1 Announce Type: cross Abstract: Counterfactual explanations are widely used to provide algorithmic recourse in high-stakes decision-making systems. Most existing methods seek the smallest change to an input that flips a model's decision. However, decision-makers often rely not only on predicted labels but also on confidence thresholds and risk margins. Counterfactuals that barely cross a decision boundary can be fragile and unstable under noise or model variation. In this paper, we propose Target-confidence Recourse Using tSeTlin machines (TRUST), a framework in which users explicitly specify the desired prediction confidence for recourse. Rather than generating counterfactuals and evaluating confidence afterward, TRUST directly searches for minimal changes that satisfy a user-defined confidence target, enabling comparison of recourse options in terms of cost, confidence, and robustness. We instantiate TRUST using a Probabilistic Tsetlin Machine (PTM) combined with Bayesian optimization. The probabilistic clause-based structure of PTM links prediction confidence to the stability of decision rules. We show that counterfactuals satisfying the same rules can still differ substantially in reliability depending on how securely they satisfy those rules, revealing whether decisions are supported by robust or fragile clause activations. Experiments on synthetic and real-world datasets demonstrate that target-confidence counterfactuals produce more robust and interpretable recourse than conventional boundary-based approaches. Across multiple benchmarks, TRUST achieves perfect robustness while maintaining low recourse cost, including an L2 distance of 0.10 on the Haberman dataset at 0.92 confidence. By explicitly controlling confidence and exposing rule-level stability, TRUST provides actionable recourse for high-stakes decision support.

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

Short-Term-to-Long-Term Memory Transfer for Knowledge Graphs under Partial Observability

arXiv:2605.22142v2 Announce Type: replace-cross Abstract: Reinforcement learning under partial observability requires deciding what information to retain, yet most memory-based approaches do not explicitly model short-term-to-long-term transfer of symbolic observations. We study this transfer process in a temporal knowledge-graph memory setting and cast it as a neuro-symbolic value-based decision problem: for each observed triple, the agent chooses whether to keep or drop it before long-term insertion. To handle variable-sized short-term buffers, we use a per-item Q-learning design with shared parameters and a practical temporal-difference update over matched items across consecutive steps. On the RoomKG benchmark at long-term memory capacity 128, learned transfer decisions outperform symbolic and neural baselines, including symbolic baselines with temporal annotations and history-based LSTM/Transformer baselines. Across transfer-policy ablations, a lightweight local short-term-only variant performs best, and step-level behavior shows that the policy keeps navigation- and query-relevant facts while discarding lower-value candidate facts, supporting explicit and interpretable memory decisions under memory constraints.

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

Feature-Space Planes Searcher: A Universal Domain Adaptation Framework for Interpretability and Computational Efficiency

Domain shift, characterized by degraded model performance during transition from labeled source domains to unlabeled target domains, poses a persistent challenge for deploying deep learning systems. Current unsupervised domain adaptation (UDA) methods predominantly rely on fine-tuning feature extractors - an approach limited by inefficiency, reduced interpretability, and poor scalability to modern architectures. Our analysis reveals that models pretrained on large-scale data exhibit domain-invariant geometric patterns in their feature space, characterized by intra-class clustering and inter-class separation, thereby preserving transferable discriminative structures. These findings indicate that domain shifts primarily manifest as boundary misalignment rather than feature degradation. Unlike fine-tuning entire pre-trained models - which risks introducing unpredictable feature distortions - we propose the Feature-space Planes Searcher (FPS): a novel domain adaptation framework that optimizes decision boundaries by leveraging these geometric patterns while keeping the feature encoder frozen. This streamlined approach enables interpretative analysis of adaptation while substantially reducing memory and computational costs through offline feature extraction, permitting full-dataset optimization in a single computation cycle. Evaluations on public benchmarks demonstrate that FPS achieves competitive or superior performance to state-of-the-art methods. FPS scales efficiently with multimodal large models and shows versatility across diverse domains including protein structure prediction, remote sensing classification, and earthquake detection. We anticipate FPS will provide a simple, effective, and generalizable paradigm for transfer learning, particularly in domain adaptation tasks. .

17.
arXiv (quant-ph) 2026-06-12

Trading symmetry for Hilbert-space dimension in Bell-inequality violation

arXiv:2601.02893v3 Announce Type: replace Abstract: In quantum information, asymmetry, i.e., the lack of symmetry, is a resource allowing one to accomplish certain tasks that are otherwise impossible. Similarly, in a Bell test using any given Bell inequality, the maximum violation achievable using quantum strategies respecting or disregarding a certain symmetry can be different. In this work, we focus on the symmetry involved in the exchange of parties and explore when we have to trade this symmetry for a lower-dimensional quantum strategy in achieving the maximal violation of given Bell inequalities. For the family of symmetric Collins-Gisin-Linden-Massar-Popescu inequalities, we provide evidence showing that there is no such trade-off. However, for several other Bell inequalities with a small number of dichotomic measurement settings, we show that symmetric quantum strategies in the minimal Hilbert space dimension can only lead to a suboptimal Bell violation. In other words, there exist symmetric Bell inequalities that can only be maximally violated by asymmetric quantum strategies of minimal dimension. In contrast, one can also find examples of asymmetric Bell inequalities that are maximally violated by symmetric correlations. The implications of these findings on the geometry of the set of quantum correlations and the possibility of performing self-testing therefrom are briefly discussed.

18.
bioRxiv (Bioinfo) 2026-06-11

Machine Learning-Guided Discovery of Bacterial-Selective Membrane-Active Compounds Reveals Mechanistic Bias in Antibiotic Training Datasets

The rise of antibiotic resistance necessitates the discovery of antibacterial compounds with novel mechanisms of action (MoAs). Recent machine learning approaches have shown promise in antibacterial compound discovery, but often identify derivatives of known antibiotic classes rather than mechanistically novel compounds. Previous approaches applied Tanimoto similarity filters at the end of screening pipelines, but this method has substantial drawbacks: Tanimoto similarity can be misleading in chemical space, and post-hoc filtering does not influence what activity models learn to prioritize. Here, we present a machine learning pipeline that addresses chemical novelty upfront by employing an XGBoost-based MoA classifier to explicitly prioritize compounds predicted to have mechanisms distinct from known antibiotic classes, combined with graph neural networks for antibacterial activity and toxicity prediction. Applied to the Zinc20 database, our approach successfully identified non-toxic antibacterial compounds structurally distinct from known antibiotics. Notably, the majority of these hits exhibited membrane-targeting activity with selectivity for bacterial cells over mammalian cells, suggesting potential for next-generation membrane-active antibiotics. However, we did not identify compounds with novel protein targets. Systematic analysis revealed that this limitation stems from mechanistic bias in training data rather than model architecture. Specifically, our activity model learned to preferentially score compounds similar to specific groups in the training data, thus overrepresenting certain MoA classes including membrane-active compounds. Even substantial model architecture and training data enhancements did not overcome this constraint. Our findings demonstrate that the primary bottleneck for discovering mechanistically novel antibiotics is the scarcity of diverse, mechanistically-annotated training data. This work provides both a methodological framework for mechanism-aware screening and critical insights into data requirements for genuinely novel antibiotic discovery.

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

Learning Object Manipulation from Scratch via Contrastive Interaction

arXiv:2606.11525v1 Announce Type: cross Abstract: Contrastive Reinforcement Learning (CRL) has seen recent success in a wide variety of goal-conditioned robotics tasks by learning structured representations of the dynamics. However, despite its success in locomotion and simpler control domains, CRL often struggles in interaction-rich manipulation. We argue that a key source of this difficulty is object-centric interaction, such as contact or grasping, that induces distinct changes in the underlying dynamic modes. In this work, we formulate manipulation dynamics as a piecewise-smooth Markov process and show that interaction-induced mode changes create piecewise nonlinear reachability structures that are difficult for standard CRL energy functions to represent and plan over. Based on this analysis, we introduce Interaction-weighted Resampling (IWR). IWR performs interaction-aware resampling around phases before, during, and after interactions, encouraging the learned representation to preserve the mode boundaries that determine future reachability to capture multi-modal and piecewise nonlinear reachability. Across interaction-centric environments, including 2D dynamic control, robotic manipulation, and robot air hockey, IWR improves both sample efficiency and overall performance over prior CRL methods, with 19.8% average improvement in simulation. Finally, using a sim-to-real pipeline with policies trained by IWR, we demonstrate the first real-world goal-conditioned robot air hockey agent capable of hitting goals, improving success from 25% to 60%. Project Page: IWR-arxiv.github.io.

20.
arXiv (CS.LG) 2026-06-12

When Does Routing Become Interpretable? Causal Probes on Block Attention Residuals

Authors:

arXiv:2606.13168v1 Announce Type: new Abstract: Block Attention Residuals (Block AttnRes) by replace fixed additive residuals with a learned softmax over earlier depth-source representations, surfacing cross-layer routing as an inspectable tensor in the forward pass. This is a tempting interpretability target: information flow normally inferred indirectly is now directly observable. We ask whether such exposure suffices for mechanistic interpretation. We probe two same-scale ($0.6$B) Block AttnRes checkpoints under identical routing-ablation interventions: a vanilla Qwen3 inference-wrapped through a deterministic recency-bias schedule that the codebase admits as a routing-equivalent loading path, and a Block AttnRes Qwen3 trained from scratch with routing as part of optimisation. The wrapped baseline's routing weights are content-independent and reproduce the schedule's analytic prediction. The trained AttnRes checkpoint instead exhibits three localised routing motifs: an embedding-source pathway through early-layer MLP, a current-state pathway through early-layer attention and MLP, and an older-history pathway through late-layer attention. Beyond this stratification, we find a sharp dissociation between average routing mass and causal importance: in both sublayers, the largest mass slice is not the largest causal contribution, and one source family carries appreciable mass with no detectable causal role under intervention. Architectural exposure of routing is therefore necessary but not sufficient for mechanistic interpretation: structured depth routing emerges only when routing has been part of training, and even then, descriptive routing summaries should be treated as candidate hypotheses to be tested by causal interventions, not as evidence of mechanism in their own right.

22.
arXiv (CS.CV) 2026-06-12

Context-Aware Feature-Fusion for Co-occurring Object Detection in Autonomous Driving

Object detection in autonomous driving requires precise localization and an inherent understanding of the relational context between co-occurring objects. In extremely complex heterogeneous environments rare classes, small-scale objects, and frequently appearing objects are difficult for standard object detection frameworks to handle. In this paper, we propose a novel framework called Context-Centric Feature Fusion (CCFF), which utilizes two attention-based modules, Local Context Fusion Module (LCFM) uses the RoI-to-RoI self-attention mechanism to resolve spatial interactions, mainly considering small and partially obscured objects, while Global Context Attention Module (GCAM) converts the co-occurrence of objects priors by pooling top-K RoI features into a global context attention token, avoiding the computational overhead of pixel-level global pooling. This fusion of local and object-centric global features yields contextualized embeddings that enhance classification results and co-occurring objects detection. Our method is evaluated on two datasets, Cityscapes and BDD100K which demonstrate significant improvement on relational consistency, achieving a Category-level Consistency Strategy (CCS) of 0.973 and 0.969, respectively. Furthermore, our approach produces substantial gains in small object detection (AP_S: 14.1%) and successfully recovers rare classes such as "Train" that are typically lost in large distributions. Our efficiency report shows that the framework processes images in real time with a 0.2 FPS overhead. The code is available at https://github.com/BinayKSingh/CCFF.

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

Efficiency-Performance Trade-offs in Neural Speaker Diarization via Structured Pruning and Low-Bit Quantization

Streaming speaker diarization is crucial for time-critical medical dispatch, but deploying it on resource-constrained hardware requires smaller, faster models. Using SIMSAMU, a dataset of simulated medical-dispatch conversations, we evaluate streaming behavior before compressing the segmentation model with pruning and low-bit quantization. We characterize performance across a range of streaming latency budgets and find that additional buffering is not consistently beneficial, while very low-latency operating points can substantially degrade performance. Our study shows that model compression trades performance for memory footprint, and we highlight an operating point where FP16 reduces model size by half with essentially unchanged real-time factor, at a cost of a 40\% relative DER increase against the baseline. This work characterizes the trade-offs for real-time deployment and contributes to speech technology that can enable reliable human communication in time-critical contexts.

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

Petrov-Galerkin Variational Physics-Informed Neural Network Framework for Two-Dimensional Singularly Perturbed Problems

arXiv:2606.16510v1 Announce Type: cross Abstract: This study proposes a Petrov-Galerkin based Variational Physics-Informed Neural Network (VPINN) for efficiently solving two-dimensional singularly perturbed problems (SPPs) with one and two small perturbation parameters. The approach employs neural networks to construct the trial solution space, while tensor-product hat functions are adopted as test functions to enforce the variational form. To accurately resolve of sharp boundary layers, the variational form is implemented using a Petrov-Galerkin formulation. Dirichlet boundary conditions are imposed directly, while the source terms are computed using automatic differentiation. Computational experiments on standard two-dimensional problems demonstrate that the proposed method achieves high accuracy in both the maximum and L_2 norms. These results confirm the efficiency and robustness of the Petrov-Galerkin VPINN approach in accurately capturing the multiscale features of two-dimensional SPPs.

25.
arXiv (CS.CV) 2026-06-16

Toward the Whole Picture: Accumulative Fingerprint Mapping and Reconstruction for Small-Area Mobile Sensors

Small-area fingerprint sensing on mobile devices creates a fundamental mismatch between acquisition and recognition: each touch captures only a tiny, pose-varying local patch, while reliable biometric matching ultimately requires a stable and sufficiently complete fingerprint representation. Existing pipelines largely cope with this mismatch by treating repeated touches as independent partial templates, which leads to repeated registration, repeated matching, and no guarantee of adequate global coverage. In this paper, we advocate a different formulation, namely accumulative fingerprint mapping and reconstruction for small-area mobile sensing. Rather than matching every partial patch separately, the proposed perspective converts a sequence of local observations into a unified fingerprint state that is progressively refined as new touches arrive and can be matched only once after consolidation. As a concrete baseline, we present a classical pipeline that performs patch-wise structural feature extraction, feature-level registration and fusion, fingerprint map construction, and phase-based ridge reconstruction. More importantly, we position this baseline within a broader mobile fingerprint framework that integrates structured token learning, two-stage pose reasoning, and diffusion-based generative reconstruction. This viewpoint reframes mobile fingerprint recognition from multi-capture multi-match processing to accumulative map building, state refinement, and one-shot matching, offering a principled route toward efficient, pose-robust, and deployment-friendly biometrics for small-area mobile platforms. The baseline implementation has been publicly released at https://github.com/XiongjunGuan/FpReconstruction.