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

Spectral DPPs via NEPv: A Scalable Continuous Relaxation of Determinantal MAP for Diversity-Aware Data Selection

arXiv:2606.19411v1 Announce Type: new Abstract: Selecting a small, diverse, high-quality subset from a massive pool of candidates is a recurring primitive in modern machine learning – data curation and coreset selection for training and fine-tuning large models, active-learning batch acquisition, prompt and exemplar selection for in-context learning, retrieval diversification, and experimental design. Determinantal Point Processes (\operatorname{DPP} s) give a principled, well-calibrated notion of diversity for this task, but their MAP objective – pick a size-$k$ subset $S$ maximizing $\logdet(L_S)$ – is NP-hard, and the standard greedy and sampling algorithms scale superlinearly in the ground-set size $n$. This cost is prohibitive precisely in the data-centric regime where diversity matters most, where $n$ ranges over millions to billions of candidate examples, features, or embeddings. We recast \operatorname{DPP}-MAP as a continuous optimization problem over the Stiefel manifold, and show that its first-order optimality conditions form a Nonlinear Eigenvalue Problem with eigenvector dependency (\operatorname{NEP}v) of a previously unstudied form. This \operatorname{NEP}v\ admits a self-consistent field (\operatorname{SCF}) iteration with a spectral-gap-based local contraction guarantee, giving a principled iterative solver where the diversity objective drives an eigenvector-dependent operator. The resulting algorithm, \OurMethod, requires only matrix-vector products with the kernel and runs in time $O\!\big((ndk+nk^2)\,t\big)$ for a small number of iterations $t$, scaling near-linearly in $n$ and integrating directly with low-rank and feature-map kernels common in ML. This paper focuses on the relaxation, solver, and scaling analysis; full real-data benchmarking is left to a planned empirical study.

02.
arXiv (CS.CV) 2026-06-25

Counterfeit Answers: Adversarial Forgery against OCR-Free Document Visual Question Answering

Document Visual Question Answering (DocVQA) enables end-to-end reasoning grounded on information present in a document input. While recent models have shown impressive capabilities, they remain vulnerable to adversarial attacks. In this work, we introduce a novel attack scenario that aims to forge document content in a visually imperceptible yet semantically targeted manner, allowing an adversary to induce specific or generally incorrect answers from a DocVQA model. We develop specialized attack algorithms that can produce adversarially forged documents tailored to different attackers' goals, ranging from targeted misinformation to systematic model failure scenarios. We demonstrate the effectiveness of our approach against two end-to-end state-of-the-art models: Pix2Struct, a vision-language transformer that jointly processes image and text through sequence-to-sequence modeling, and Donut, a transformer-based model that directly extracts text and answers questions from document images. Our findings highlight critical vulnerabilities in current DocVQA systems and call for the development of more robust defenses. We release our open source code at https://github.com/pralab/adv-docVQA.

03.
arXiv (CS.AI) 2026-06-11

Workflow-GYM: Towards Long-Horizon Evaluation of Computer-use Agentic tasks in Real-World Professional Fields

arXiv:2606.11042v2 Announce Type: replace Abstract: Recent years have witnessed the rapid evolution of AI agents toward handling increasingly complex, real-world tasks. However, existing benchmarks rarely evaluate whether agents can operate graphical user interfaces to complete long-horizon, high-value professional workflows across diverse domains. Current GUI benchmarks still predominantly focus on general-purpose software, relatively simple applications, and short-horizon tasks, leaving it largely unknown whether modern agents can follow user instructions to autonomously operate domain-specific professional software and accomplish economically valuable work in an end-to-end manner. To bridge this gap, we introduce Workflow-GYM, a benchmark for long-horizon GUI tasks centered on professional domains and specialized software environments. Through extensive experiments on state-of-the-art models, we find that even the strongest models achieve only slightly above 30% success rates, highlighting that professional long-horizon GUI workflows remain highly challenging for current GUI agents. Further analysis reveals that current agents struggle to maintain long-horizon workflow consistency, frequently exhibiting workflow stage omission, error propagation, objective drift, and insufficient understanding of professional software environments. Our findings provide important insights into the limitations of current agent systems and suggest key directions for the next generation of GUI-agent research.

04.
arXiv (CS.LG) 2026-06-24

Relatively Smart: A New Approach for Instance-Optimal Learning

arXiv:2603.01346v2 Announce Type: replace Abstract: We revisit the framework of Smart PAC learning, which seeks supervised learners which compete with semi-supervised learners that are provided full knowledge of the marginal distribution on unlabeled data. Prior work has shown that such marginal-by-marginal guarantees are possible for "most" marginals, with respect to an arbitrary fixed and known measure, but not more generally. We discover that this failure can be attributed to an "indistinguishability" phenomenon: There are marginals which cannot be statistically distinguished from other marginals that require different learning approaches. In such settings, semi-supervised learning cannot certify its guarantees from unlabeled data, rendering them arguably non-actionable. We propose relatively smart learning, a new framework which demands that a supervised learner compete only with the best "certifiable" semi-supervised guarantee. We show that such modest relaxation suffices to bypass the impossibility results from prior work. In the distribution-free setting, we show that the One-Inclusion Graph learner is relatively smart up to squaring the sample complexity, and show that no supervised learning algorithm can do better. For distribution-family settings, we show that relatively smart learning can be impossible or can require idiosyncratic learning approaches, and its difficulty can be non-monotone in the inclusion order on distribution families.

05.
arXiv (quant-ph) 2026-06-16

Witnessing Spin-Orbital Entanglement using Resonant Inelastic X-Ray Scattering

arXiv:2512.06718v2 Announce Type: replace Abstract: Entanglement plays a central role in quantum technologies, yet its characterization and control in materials remain challenging. Recent developments in spectrum-based entanglement witnesses have enabled new strategies for quantifying many-body entanglement in macroscopic materials. Here, we develop a protocol for detecting spin-orbital entanglement using experiment-accessible resonant inelastic x-ray scattering (RIXS). Central to our approach is the construction of a Hermitian generator from experimentally measurable spectra, which allows us to compute the quantum Fisher information (QFI) available in spin–orbital systems. The resulting QFI provides upper bounds for $k$-producible states and thus serves as a robust witness of spin-orbital entanglement. To account for realistic experimental limitations, we further extend our framework to include relaxed QFI bounds applicable to measurements lacking full polarization resolution.

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

DiffMath: Symbol- and Graph-Aware Latent Diffusion Transformer for Handwritten Mathematical Expression Generation

Handwritten Mathematical Expression Generation (HMEG) is challenging due to the complex two-dimensional layouts and long-range structural dependencies of mathematical expressions. Existing methods typically rely on explicit spatial supervision, such as symbol-level bounding boxes, which incurs high annotation costs and limits scalability. In this work, we propose DiffMath, a symbol- and graph-aware latent diffusion framework that leverages the hierarchical structure inherent in LaTeX as a structural prior, eliminating the need for positional supervision. First, we design a Relational Abstract Syntax Tree (RelAST), a generation-oriented representation that distills MathML trees into compact triplet sequences [S, R, D], where each token directly encodes a symbol identity, spatial relation, or nesting depth. Second, we introduce MathVAE, which learns structure-preserving latent representations through symbol-aware and relation-aware perceptual regularization, ensuring that the latent space captures both character semantics and spatial topology. Third, MathDiT performs conditional denoising in this structured latent space, further guided by a global symbol-count prior via Adaptive Layer Normalization (AdaLN) to improve structural coherence. Experiments show that DiffMath produces structurally consistent handwritten expressions, achieves superior performance over existing methods, and improves the accuracy of downstream OCR models through synthetic data augmentation.

07.
medRxiv (Medicine) 2026-06-23

Shared Polygenic Architecture Across Arteriopathies: An Integrative Cross-Trait Analysis

Background: Non-monogenic arteriopathies are often classified as distinct entities according to the arterial territory involved, yet they share clinical features and may co-occur in the same individual. This pattern suggests shared susceptibility across anatomically distinct arteriopathies, potentially driven by common biological and genetic mechanisms. Methods: We investigated the shared genetic architecture of five arteriopathies (cervical artery dissection (CeAD), intracranial aneurysm (IA), spontaneous coronary artery dissection (SCAD), aortic aneurysm and dissection (AAD), and fibromuscular dysplasia (FMD)) using LD score regression, Association analysis based on SubSETs (ASSET), pairwise Multi-Trait Analysis of Genome-wide association summary statistics (MTAG), pleiotropy mapping and Mendelian randomization (MR) to identify shared loci and prioritise candidate causal genes. Results: LD score regression identified significant positive genetic correlations between CeAD-SCAD (rg = 0.64), IA-AAD (rg = 0.33), IA-SCAD (rg = 0.37), CeAD-AAD (rg = 0.56) and SCAD-AAD (rg = 0.20). ASSET identified 37 shared independent loci, and in MTAG analyses, one novel locus was identified for CeAD and SCAD (SLC39A8) and one for IA (FGF5). 13 loci showed strong cross-trait colocalization, including PHACTR1, LRP1, and CDKN2B-AS1. Using the Genotype-Phenotype Map, we found that arteriopathy-associated variants colocalized with blood pressure- and migraine-related traits, while many showed effect directions opposite to those observed for coronary artery disease. Proteome-wide MR identified 67 circulating proteins associated with at least one trait, including ECM1 and SHISA5 for CeAD and FGF5 for IA, with 17 supported by colocalization. Transcriptome-wide MR identified 204 colocalized tissue?specific signals, of which, 14 were shared across multiple traits. Enrichment analyses implicated pathways related to vascular development, smooth muscle cell function, extracellular matrix organization, and TGF-? signaling. Conclusions: These findings support shared genetic architecture across anatomically distinct arteriopathies, implicating pathways involved in vascular structure and prioritising therapeutic targets for future mechanistic investigation.

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

Less is More: Quality-Aware Training Data Selection for Scientific Summarization

Scientific long-document summarization datasets commonly treat author-written abstracts as gold reference summaries, although their quality and alignment with the source article vary. At the same time, publicly available scientific summarization datasets remain limited in scale and structure for modern long-context models. In this work, we address both challenges by a) constructing and releasing one of the largest biomedical and life science datasets for long-document summarization, containing 1.88 million PMC articles, and b) analyzing the reference quality of author-written abstracts with source-grounded and model-based metrics. We show that author-written abstracts vary in their alignment with the full article and that these quality signals can guide training-data selection. Training on selected high-quality subsets outperforms random sampling at matched training sizes and can match or exceed larger random subsets on factuality-oriented metrics. Our findings suggest that reference quality is an important factor in scientific summarization and that quality-aware data selection can improve training efficiency.

09.
arXiv (CS.CV) 2026-06-24

MedP-CLIP: Medical CLIP with Region-Aware Prompt Integration

Contrastive Language-Image Pre-training (CLIP) has demonstrated outstanding performance in global image understanding and zero-shot transfer through large-scale text-image alignment. However, the core of medical image analysis often lies in the fine-grained understanding of specific anatomical structures or lesion regions. Therefore, precisely comprehending region-of-interest (RoI) information provided by medical professionals or perception models becomes crucial. To address this need, we propose MedP-CLIP, a region-aware medical vision-language model (VLM). MedP-CLIP innovatively integrates medical prior knowledge and designs a feature-level region prompt integration mechanism, enabling it to flexibly respond to various prompt forms (e.g., points, bounding boxes, masks) while maintaining global contextual awareness when focusing on local regions. We pre-train the model on a meticulously constructed large-scale dataset (containing over 6.4 million medical images and 97.3 million region-level annotations), equipping it with cross-disease and cross-modality fine-grained spatial semantic understanding capabilities. Experiments demonstrate that MedP-CLIP significantly outperforms baseline methods in various medical tasks, including zero-shot recognition, interactive segmentation, and empowering multimodal large language models. This model provides a scalable, plug-and-play visual backbone for medical AI, combining holistic image understanding with precise regional analysis.

10.
arXiv (CS.CL) 2026-06-15

Optimizing the Cost-Quality Tradeoff of Agentic Theorem Provers in Lean

Large language models (LLMs) are increasingly used in workflows for generating formal proofs in Lean. These workflows often decompose problems into smaller lemmas, sample many proof attempts, and use compiler feedback to guide search. However, they can be prohibitively expensive, often spending substantial compute on attempts that ultimately fail. In this work, we address this problem with an action routing agent that consists of a data plane and a control plane. The data plane generates natural-language lemma decompositions, formalizes them in Lean, and samples proof attempts for the resulting theorem and lemma targets. The control plane observes previous failed Lean attempts, estimates both the likelihood of success and cost of another attempt, and decides whether to continue proving the current target or restart from a new breakdown. On a subset of PutnamBench, our agent decreases the cost by $28.9\%$ over a fixed-step baseline on average, preserving performance while using substantially less compute. These results suggest that failed Lean trajectories provide actionable signals for cost-aware resource allocation in agentic theorem proving.

11.
arXiv (CS.AI) 2026-06-24

Beyond U-Net: A Latent-Representation-Aligned Skip-Free Backbone for Flow-Matching Speech Enhancement

arXiv:2606.24745v1 Announce Type: cross Abstract: Generative models, particularly diffusion and score-based approaches, have recently achieved strong performance in speech enhancement, but their iterative sampling process limits real-time deployment. Flow Matching offers an efficient alternative by transporting noisy speech toward clean speech through an ordinary differential equation with few function evaluations. In this work, we propose a skip-free encoder-decoder backbone for flow-matching speech enhancement, guided by Latent Representation Alignment (LRA). Instead of relying on U-Net skip connections, which may transfer noise-correlated low-level features to the decoder, the proposed model aligns its bottleneck and decoder representations with clean latent features extracted from a frozen Descript Audio Codec encoder-decoder without quantization. This codec-aligned supervision promotes compact clean-speech representations while preserving efficient few-step inference. Experiments on WSJ0-CHiME3 and VoiceBank-DEMAND show improved PESQ and perceptual quality, especially on VoiceBank-DEMAND, using only five function evaluations.

12.
arXiv (quant-ph) 2026-06-11

Holographic Complexity, Extremality, and Cosmic Censorship

arXiv:2604.20170v2 Announce Type: replace-cross Abstract: We propose a holographic complexity origin for the third law of black-hole mechanics and weak cosmic censorship. In both complexity equals action and complexity equals volume prescriptions, the relative complexity between subextremal and extremal AdS black holes diverges logarithmically. For overcharged RN-AdS, explicit calculations in both prescriptions show that the near-singularity action terms are power-law divergent or finite, while the maximal-volume contribution is finite. Thus, the extremal-to-naked relative complexity also diverges, obstructing finite-time transitions.

13.
arXiv (CS.LG) 2026-06-16

Send a SCOUT First: Pre-hoc Reasoning for Adaptive Detector Allocation in Prompt-Injection Defense

arXiv:2605.30837v2 Announce Type: replace-cross Abstract: Prompt-injection detectors are heterogeneous: each is strong on a different slice of attacks, and none is always reliable. Yet existing systems still treat detection as a fixed single-detector pipeline, committing every request to one detector's blind spots. We reframe defense as detector allocation: given a heterogeneous pool, decide per request which detectors to run and whether to escalate to an LLM judge. Our framework SCOUT (Scalable and Controllable Outcome-prediction for Uncertainty-aware Triage) makes this decision dynamic by predicting each detector's per-sample reliability and latency from how it behaved on similar past inputs, and exposes a single safety-utility threshold to the operator (where utility bundles benign-pass rate and wall-clock). To evaluate this setting, we build SCOUT-450, a benchmark that captures the structurally complex, agent-facing injections that older prompt-injection sets under-represent. On SCOUT-450, a safety-oriented operating point reduces attack-success rate by 46% and total wall-clock by 40% relative to an always-on GPT-4o judge, at a 5.1-point benign-utility drop. SCOUT also transfers to three external benchmarks (BIPIA, IPI, and IHEval), improving the safety-utility frontier.

14.
arXiv (quant-ph) 2026-06-15

Electromagnetic Wightman functions and vacuum densities for a brane intersecting the AdS boundary

arXiv:2604.17583v2 Announce Type: replace-cross Abstract: We investigate the combined effects of a brane intersecting the AdS boundary and background gravitational field on the local characteristics of the electromagnetic vacuum. Two types of boundary conditions on the brane are considered, which are higher-dimensional generalizations of the perfect electric (PEC) and perfect magnetic (PMC) boundary conditions in Maxwell's electrodynamics. The brane-induced contributions to the Wightman functions of the vector potential and field tensor are explicitly extracted. Simple expressions in terms of elementary functions are provided. The behavior of the vacuum expectation values (VEVs) is mimicked by a scalar field with a negative effective mass squared determined by the radius of the AdS spacetime. The expectation values of the electric and magnetic fields squares and of the energy-momentum tensor are investigated as local characteristics of the vacuum state. The brane-induced contributions to these VEVs have opposite signs for the PEC and PMC conditions. For the PMC condition, this contribution is negative for the electric field squared and positive for the magnetic field squared. The VEV of the energy-momentum tensor has a nonzero off-diagonal component. The brane-induced vacuum energy density is positive for PMC condition, whereas the normal and parallel stresses change sign as functions of the distance from the brane. Unlike the problem involving a planar boundary in the Minkowski bulk, the vacuum energy-momentum tensor does not vanish in (3+1)-dimensional AdS spacetime.

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

Attention mechanisms and transfer learning for robust peach leaf damage classification under domain shift

Artificial intelligence provides a practical framework for crop damage assessment from imagery data, supporting early decision-making in agricultural management. In peach orchards, climate change increases abiotic stress and biotic pressures, including pests and diseases, which often produce visually similar foliar symptoms. This overlap makes manual diagnosis difficult, especially across multiple fields with varying environmental conditions, highlighting the need for automated models with strong generalization ability. We propose an image-based classification approach for peach leaf damage detection. A benchmark dataset was created through manual annotation of publicly available images, consisting of 1,366 peach leaves across six damage categories. Several deep learning architectures were evaluated. EfficientNet models achieved the best results, with EfficientNetB0 reaching 92.9 percent accuracy, EfficientNetB3 achieving 91.5 percent, and EfficientNetB5 showing the strongest performance on minority classes. DenseNet121 reached 92.6 percent accuracy. The integration of the Convolutional Block Attention Module (CBAM) improved performance in several backbones, particularly EfficientNetB5 and InceptionV3, while showing limited or negative impact in others. The CBAM-enhanced EfficientNetB5 achieved the best overall accuracy of 93.3 percent. To evaluate robustness under realistic conditions, a local dataset of 180 images across four classes was collected, and transfer learning strategies were applied to address domain shift. Three fine-tuning strategies were tested. EfficientNetB3 combined with CBAM achieved the best performance in the local domain, reaching a 93 percent macro F1-score after transfer. Overall, attention-based models showed improved robustness for minority classes and better generalization across different field conditions.

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

Multi-Agent Reinforcement Learning from Delayed Marketplace Feedback for Objective-Weight Adaptation in Three-Sided Dispatch

arXiv:2606.13604v1 Announce Type: new Abstract: Dispatch in three-sided marketplaces provides a natural setting for reinforcement learning from world feedback: decisions are evaluated by delayed operational outcomes such as delivery speed, courier utilization, and merchant congestion. We present a deployed reinforcement learning system at DoorDash that adapts dispatch objective weights in a large-scale food-delivery marketplace using delayed signals. Rather than replacing the combinatorial assignment optimizer, a store-level policy learned from logged marketplace data selects a discrete multiplier that shifts the dispatch optimizer's tradeoff between delivery quality and batching efficiency. This interface enables offline policy learning under noisy, delayed, and coupled feedback while preserving production feasibility constraints and operational safeguards. We train a shared value function using centralized offline data and decentralized store-level execution, with Double Q-learning targets and a conservative regularizer to reduce out-of-distribution value overestimation. In a production switchback experiment, the offline-trained policy increases batching and reduces courier-side time costs without degrading customer-facing delivery quality. Results illustrate how world feedback from a live economic and logistics system can be used to safely adapt decision policies online.

17.
Nature Medicine 2026-06-11

Clinical Profile and Genomic Characterization of the 2026 Bundibugyo Virus Index Case in Uganda

Bundibugyo virus disease (BVD) remains a high-consequence threat in Eastern and Central Africa, where cross-border mobility, nonspecific early symptoms, and delayed recognition can obscure transmission. In this case report, we describe Uganda’s 2026 BVD index case: a male patient who traveled from the Democratic Republic of the Congo to Uganda and was admitted to a private hospital in Kampala on 11 May 2026 after more than two weeks of vomiting and diarrhea, with epigastric pain, weakness, and hiccups. He deteriorated rapidly, developing acute kidney injury, pulmonary edema, hepatic dysfunction, hypoxemia, delirium, atrial flutter, possible disseminated intravascular coagulation, and multiorgan failure, and died on 14 May. A posthumous EDTA whole-blood specimen tested at the Central Emergency Response and Surveillance Laboratory was positive for orthoebolavirus RNA and confirmed as Bundibugyo virus (BDBV) by RT-qPCR. Sequencing achieved 99% genome coverage at ≥100× depth. The 2026 BDBV genome formed a distinct lineage approximately equidistant from the 2007–2008 Butalya and 2012 Isiro variants, differing by 216–227 nucleotides (~1.2% sequence divergence). Here, we demonstrate the value of fatality surveillance, private-sector surveillance, diagnostic optimization through national specimen referral, and rapid molecular-genomic diagnostics for early detection, transmission chain interruption, and public health response coordination.

18.
arXiv (CS.AI) 2026-06-24

Can Aggregate Invariants Accelerate Continuous Subgraph Matching? Limits, Laws, and a Dynamic Spectral Index

arXiv:2606.24421v1 Announce Type: new Abstract: Spectral filtering recently delivered substantial pruning for static subgraph matching: Laplacian interlacing rejects candidates whose neighborhoods cannot host the query. We study whether such aggregate structural tests can accelerate continuous subgraph matching (CSM) over dynamic graphs, and answer in three parts. First, lazily maintained spectral bounds are infeasible exactly where spectral pruning has value: we characterize the tightest safe rule over a formalized perturbation relaxation and show that even it loses essentially all pruning power within four touching updates. Second, exact maintenance is affordable when selective: pruning utility and recomputation cost are anti-correlated across vertices – hubs provably never prune – so recomputing small-neighborhood spectra on touch sustains exact local spectra at microseconds per update, complete by construction. Third, integrated into a decoupled CSM benchmark against an identical-minus-spectra control, the tests remove up to $51\%$ of candidates or safely skip up to $47\%$ of update enumerations, yet enumeration intermediates remain unchanged – beyond the gates' skipped first-level bindings, typically zero – across two engines, four real graphs, two stream types, and $77$ solved queries; a constructed radius-stratified workload confirms the instrument detects the exception when one exists ($-99.9\%$ intermediates, $748\times$ faster). Aggregate tests accelerate what scales with candidate sets – construction, list scans – never adjacency-guided exploration. We distill an intermediate-invariance methodology for evaluating CSM filters and release a reusable dynamic local-spectra index.

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

GraphInfer-Bench: Benchmarking LLM's Inference Capability on Graphs

Graph analysis underlies many applications whose answers cannot be looked up in a single record or retrieved along a path: laundering rings, drug repurposing, user preference, and scientific theme are all inferred from a node together with its neighbourhood. We introduce GraphInfer-Bench, a benchmark for whether LLMs can perform this graph inference: producing an open-ended answer that no single node supports and no path retrieves. Existing graph-QA protocols cannot test this capability: algorithm simulation, node classification, single-node description, KG-QA, and GraphRAG all admit answers retrievable from one node or along a path. GraphInfer-Bench defines five tasks along Description (what a region is) and Comparison (how regions differ), each constructed so the ground truth lives in no single node. The release contains 42,000 samples across six real-world graphs, produced automatically and screened by a four-layer quality-control protocol. We evaluate four method families against the same tasks: graph-token alignment models, zero-shot frontier closed-source LLMs, Graph2Text supervised fine-tuning, and plain GNNs as a structural reference. No method family closes the gap. Graph-token alignment partially handles description tasks (relational, theme) but collapses on comparison tasks. Frontier LLMs lead on outlier detection and community partition among LLM-based methods but lag on masked-node prediction. Graph2Text SFT is the strongest LLM-based method on the description side yet falls behind frontier LLMs on comparison. Across every task, plain GNNs match or beat the strongest LLM-based row, with the largest margin on community detection. GraphInfer-Bench surfaces graph inference as an open capability gap rather than a property of any one architecture.

20.
arXiv (CS.LG) 2026-06-24

Sesame: Structure-Aware Molecular Generation via Spatial Density-Map Conditioning

arXiv:2606.23856v1 Announce Type: new Abstract: Generative molecular models for drug design are a promising direction with much active research. In the next phase of computational drug design, such models will need to understand small molecule structure and protein-ligand interactions, and they will need to possess the machinery to generate molecules de novo. Incorporating each feature poses a critical challenge. Equally important, yet often treated as secondary, is the ability to grow a molecule from a partial starting point – a scaffold or fragment supplied by a chemist – which is the central operation of lead optimization. We present Sesame (Spatial Evoformer for a Structure-Aware Molecular Engine), a diffusion-based molecular generation model that leverages a novel spatial pairformer module to condition on partial molecular structure and the surrounding protein pocket, both expressed as continuous spatial density maps. This single conditioning mechanism supports both de novo generation and fragment-conditioned lead optimization, letting a medicinal chemist prune a hit to a scaffold and have Sesame grow it in productive ways. In addition to this module, we also introduce a diffusion framework for joint denoising of atom types, bond types, and positions, along with a trajectory finetuning scheme that trains on the model's own sampling rollouts to improve generation quality. Sesame is trained on a large corpus of ligand-only and protein-ligand datasets.

21.
arXiv (CS.CL) 2026-06-17

HistoRAG: Embedding Historical Methodology in Retrieval-Augmented Generation Through Critical Technical Practice

Retrieval-Augmented Generation (RAG) is the prevailing architecture for grounding language model outputs in external evidence, yet its dominant evaluation paradigms and default configurations remain oriented toward factual question-answering. For interpretive disciplines such as historical studies, RAG embeds assumptions that conflict with scholarly practice. We introduce HistoRAG, a framework that translates historiographical principles into concrete architectural interventions. Separated retrieval and generation decouples source discovery from interpretation, temporal windowing enforces balanced source representation across the research period as a methodological requirement of historical inquiry, and LLM-as-judge evaluation makes relevance judgments transparent and contestable. We evaluate these interventions using SPIEGELragged, applied to 102,189 articles from Der Spiegel (1950-1979). Each intervention addresses a measurable deficiency in standard RAG: era-specific vocabulary retrieves zero chunks from the 1950s when using 1970s terminology, evidence of the temporal skew that motivates windowing; vector similarity and LLM-assessed relevance correlate only weakly (Spearman rho = 0.275), motivating post-retrieval evaluation; and keyword-based and semantic retrieval surface largely disjoint source pools, motivating an architecture in which both operate as complementary retrieval layers under a shared LLM evaluation filter. We also introduce the concept of Zwischentexte (intermediate texts that function as interpretive proposals rather than findings) as a framework for responsible integration of LLM-generated text into scholarly practice. The architecture offers a model for how domain-specific epistemological commitments can be translated into RAG design decisions, and may transfer to other interpretive disciplines working with large corpora.

22.
arXiv (quant-ph) 2026-06-19

Unveiling coherent dynamics in non-Markovian open quantum systems: exact expression and recursive perturbation expansion

arXiv:2506.04097v2 Announce Type: replace Abstract: We introduce a systematic framework to derive the effective Hamiltonian governing the coherent dynamics of non-Markovian open quantum systems. By applying the minimal dissipation principle, we uniquely isolate the coherent contribution to the time-local generator of the reduced dynamics. We derive a general expression for the effective Hamiltonian and develop a recursive perturbative expansion that expresses it in terms of system-bath interaction terms and bath correlation functions. This expansion provides a systematic tool for analyzing energy renormalization effects across different coupling regimes. Applying our framework to paradigmatic spin systems, we reveal how environmental correlations influence energy shifts and eigenbasis rotations, offering new insights into strong-coupling effects and non-Markovian quantum thermodynamics.

23.
arXiv (CS.AI) 2026-06-24

Low-power analogue neural networks with trainable nonlinear connections for continuous control

arXiv:2606.23742v1 Announce Type: cross Abstract: Physical neural networks promise low-power machine learning by computing directly with analogue device physics, but most architectures force nonlinear device responses to act as scalar weights. Inspired by Kolmogorov-Arnold networks, we place trainable nonlinear functions on the connections, making each physical connection a learnable computational element. Realising these functions as analogue band-pass filters on field-programmable analogue arrays, we find that the benefit is task-dependent and follows from the smoothness of the physical basis: the networks represent smooth, continuously valued targets, including robotic kinematics, continuous control, and photovoltaic maximum-power-point tracking, with far fewer nodes and connections than multilayer perceptrons, but offer no parameter-efficiency advantage on classification-like decision boundaries. Trained networks transfer to hardware across approximately 35,000 connections with quantified fidelity, and a dedicated CMOS implementation is projected to operate at approximately 30 microwatts. A memristive realisation reproduces the same behaviour in simulation, indicating that the advantage comes from placing trainable nonlinearity on connections, rather than from a particular device.

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

CausalDrive: Real-time Causal World Models for Autonomous Driving

World models have emerged as a promising paradigm for scaling autonomous driving (AD) data, yet existing video generative models fall short as interactive simulators. Layout-conditioned renderers rely on "oracle" future trajectories of all background agents, rendering them strictly non-reactive. Conversely, pure action-conditioned predictors lack semantic control over complex interactions and suffer from prohibitive diffusion latencies, hindering closed-loop policy learning. To bridge this gap, we present CausalDrive, a controllable, real-time foundation driving world renderer. CausalDrive operates solely on the initial front-view frame, the ego-vehicle's trajectory, and a macroscopic text prompt. By excluding future NPC layouts, we compel the model to intrinsically predict causal interactions, enabling text-driven control over Driving Sociology, allowing users to dynamically orchestrate diverse counterfactual reactions to identical ego-actions. To overcome the efficiency bottleneck and address the covariate shift in autoregressive generation, we propose a novel Context-Forced DMD architecture. This combines continuous flow-matching with a self-correcting distillation objective, achieving interactive speeds of 12 FPS. This breakthrough transforms the passive video generator into a playable neural simulator. We demonstrate its versatility across three downstream applications: (1) generative closed-loop evaluation with significantly mitigated collision artifacts, (2) large-scale Reinforcement Learning (RL) post-training driven by a Video2Reward module, and (3) real-time human-in-the-loop simulation. Extensive experiments validate that policies trained within CausalDrive's reactive scenarios exhibit superior interaction capabilities in the real world.

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

Beer-Lambert Guided Representation Learning for Unsupervised Anomaly Detection in Sub-THz Food Inspection Images

Food manufacturing requires reliable inspection systems to detect foreign material contamination and maintain product safety. Sub-THz transmission imaging provides material-dependent attenuation characteristics that are useful for detecting low-density contaminants in food products. However, existing unsupervised anomaly detection methods mainly rely on RGB-pretrained visual representations, which may not adequately capture the transmission behavior of Sub-THz images. This paper proposes a Beer-Lambert guided representation learning framework for unsupervised anomaly detection in Sub-THz food inspection images. The proposed method introduces an attenuation decomposition module as an auxiliary regularization module that constrains student representations through attenuation reconstruction during training. In addition to the conventional one-class setting, we introduce a Leave-One-Food-Out protocol to evaluate generalization capability under unseen food categories. Experimental results on the Inline-Food-Inspection-THz dataset show that the proposed method improves overall anomaly detection performance over the baseline method.