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

Context-Aware RL for Agentic and Multimodal LLMs

Large language models (LLMs) often fail when answering requires identifying a small but decisive piece of evidence within a long or complex context, such as a single line in a tool trace or a subtle detail in an image. We propose ContextRL, a context-aware reinforcement learning (RL) method that improves long-horizon reasoning and multimodal performance through an indirect auxiliary objective. Instead of supervising only the final answer, ContextRL presents the model with a query, an answer, and two highly similar contexts, and rewards it for selecting the context that supports the query–answer pair, thereby encouraging fine-grained grounding. We construct contrastive context data in two domains: for coding agents, trajectories serve as contexts, yielding 1k pairs built via condition filtering; for multimodal reasoning, images serve as contexts, yielding 7K pairs built via generative editing and similarity search. ContextRL achieves average gains of +2.2% over standard GRPO on 5 long-horizon benchmarks, and +1.8% across 12 diverse visual question answering benchmarks. To disentangle the effect of the proposed objective from that of additional data, we compare against data-augmentation baselines that repurpose the same contrastive contexts as standard query–context–answer examples. These baselines provide little to no improvement, showing that the gains arise from the proposed context-selection objective rather than from the contrastive data alone.

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

FineVLA: Fine-Grained Instruction Alignment for Steerable Vision-Language-Action Policies

arXiv:2605.27284v2 Announce Type: replace-cross Abstract: Vision-Language-Action (VLA) models are increasingly expected to not only complete robot tasks, but also follow human instructions about how those tasks should be executed. However, existing robot datasets usually pair trajectories with coarse goal-level language, leaving execution-critical details such as active arm, approach direction, and contact region unspecified. This limits steerable policy learning and robotic video understanding. We introduce FineVLA, an open framework for action-aligned fine-grained VLA supervision. The framework includes: (1) a data construction tool that unifies 972,247 trajectories across 85K tasks from 10 open-source robot datasets and builds FineVLA-Data, a human-verified dataset of 47,159 fine-grained trajectories; (2) a held-out benchmark with 500 videos, 11,631 atomic facts, and 1,030 VQA questions; (3) a robotics-specialized VLM annotator for scalable fine-grained annotation; and (4) a steerable VLA policy trained with controlled mixtures of fine-grained and raw goal-level instructions. Our experiments yield three findings. First, fine-grained supervision does not sacrifice goal-level success: FG-only improves over Raw-only by +1.4 to +8.1 success-rate points across settings. Second, fine-grained and raw instructions are complementary, following a consistent inverted-U trend peaking at FG:Raw = 1:2 to 1:1. The best mixed setting reaches 86.8%/82.5% in RoboTwin simulation and 62.7/100 in real-world dual-arm manipulation (vs. 49.9 Raw-only). Third, fine-grained supervision improves steerable control: the largest real-world gains appear on pose (+23), color (+18), and approach direction (+18)–factors where goal-level instructions provide no guidance. Overall, fine-grained language should augment goal-level instructions: specifying how to execute alongside what to achieve. Project page: https://finevla.xlang.ai/

03.
arXiv (CS.CV) 2026-06-16

GeoStream: Toward Precise Camera Controlled Streaming Video Generation

Accurate interactive camera control is essential for video-based world models, but most existing approaches learn camera motion implicitly, leading to inaccurate control under out-of-distribution trajectories. Explicit geometric conditioning improves controllability, but existing methods are non-autoregressive and rely on a static 3D cache built from an initial frame, which becomes ineffective once the viewpoint moves beyond the original frustum. We propose GeoStream, a framework that enables precise metric-scale camera control in autoregressive streaming video generation. Our method maintains a self-refreshing 3D cache that is periodically updated online from the model's own outputs: we estimate depth from the most recently generated frame, unproject to 3D, and reproject into the target view to produce point reprojections as geometric conditioning for subsequent synthesis. By the same principle, the conditioning seen during training is also rendered from the student's own generated frames, yielding a fully on-policy distillation that naturally aligns the train and inference conditioning distributions. Unlike prior work that uses off-policy condition noising, our approach trains the model against the exact error distribution it encounters at inference, mitigating both standard autoregressive drift and the second-order geometric feedback loop that arises when the cache itself is derived from generated outputs. Quantitative and qualitative results show that our approach substantially improves camera controllability.

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

Service-Induced Congestion in Memory-Constrained LLM Serving

arXiv:2606.15555v1 Announce Type: cross Abstract: In large language model (LLM) serving, each request accumulates persistent graphics processing unit (GPU) memory during service as its key-value cache grows with every generated token. Under high concurrency, aggregate memory usage therefore increases endogenously over time: the service process itself creates future capacity pressure. When memory capacity is exceeded, systems evict active requests, discarding cached state and restarting them later, which wastes computation and reduces throughput. We develop a discrete-time dynamical model of memory-constrained LLM inference that captures admission, memory growth, and eviction under continuous batching. In the saturated-input regime, the system admits both eviction-free fixed points and limit cycles with evictions. For homogeneous workloads, we show that the eviction-free equilibrium is unstable and that, except for a Lebesgue-measure-zero exact-capture set, the system converges to a unique worst-case limit cycle that is asymptotically stable outside this exceptional set, with throughput losses as large as 50%. For heterogeneous workloads, we prove a stability criterion in the two-class common-input setting and explain how the survival-polynomial mechanism generalizes to multiple classes and heterogeneous-input lengths. Under an input-dominated scaling regime, coprime decoding lengths stabilize the eviction-free equilibrium, while non-coprime lengths create synchronized modes that drive instability. These results characterize when workload heterogeneity desynchronizes completions and helps stabilize memory-constrained serving. More broadly, we identify service-induced congestion as a structural instability mechanism and derive scheduling design principles for sustaining high throughput.

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

Transforming Shape Schemas with Composable Property-Graph Queries (Extended Version)

arXiv:2606.14309v1 Announce Type: cross Abstract: Property graphs may be constrained by schemas that inform both query engines and human users about the shape of valid data, enforcing a contract between data provider and consumer. Composable property-graph queries transform input graphs into output graphs. Then, the question arises of which schema can be expected after one (or several) transformation steps. We investigate how schema constraints can be inferred given an input schema and a transforming query. Specifically, we propose a reasoning procedure that, given an input schema in ProGS and a query in G-CORE infers an output schema. Since graph updates will happen frequently, our inference procedure does not rely on graph instances, such that the computed output schema applies to all graphs originating from any input graph complying with the input schema. Related work has addressed this problem for SPARQL CONSTRUCT queries, encoding it in Description Logics (DLs) so that the output schema is entailed by axioms inferred from input schema and queries. Property graphs and their queries, however, complicate the matter, as property graphs feature label and property annotations as well as first-class edges. Thus, reification has to be used in one way or another, though available DLs lack the means to encode such features directly. We approach this novel challenge via a family of mappings for i) property graphs reified in RDF, aligned with ii) a mapping from ProGS to SHACL and iii) a mapping from G-CORE to SPARQL CONSTRUCT queries. In this manner, schema inference for property graphs becomes manageable, as we break apart the problem through the extra mapping layer and utilize efficient DL reasoners. We develop the metatheory regarding the soundness of inferred schema constraints and the semantic equivalence of mapped schemas and queries.

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

Traditional machine learning vs. deep learning from dynamic graph representations of proteins' 3D folds in the task of protein structure classification

arXiv:2605.29228v2 Announce Type: replace Abstract: Protein structure classification (PSC) uses supervised learning to predict a protein's CATH/SCOP(e) class from the protein's sequence or 3D structural feature(s). We already modeled 3D structures as (static) protein structure networks (PSNs), demonstrating the competitiveness of PSN-based features to sequence or direct (i.e. non-network) 3D structural features in the PSC task. More recently, we demonstrated the power of features extracted from dynamic PSNs over features extracted from static PSNs (and thus by transitivity over sequence and direct 3D structural features) in the same task. That dynamic PSN approach used traditional machine learning (ML), combining manual (pre-engineered) features with an off-the-shelf classifier. Here, we evaluate whether automatic deep learning (DL) from the dynamic PSNs yields improvements. Our evaluation on 72 datasets spanning ~44,000 CATH- or SCOPe-labeled dynamic PSNs reveals that in terms of PSC accuracy, traditional ML and DL are (close to) tied for a large majority of the datasets, while DL is on average 10+ times slower. We are the first to evaluate traditional ML vs. DL in the dynamic PSN-based PSC task.

07.
arXiv (CS.AI) 2026-06-17

Knowledge Reutilization in Meta-Reinforcement Learning

arXiv:2606.18132v1 Announce Type: new Abstract: Meta-reinforcement learning enables fast adaptation by extracting shared structure from related tasks, but existing end-to-end methods often couple task inference with embodiment-specific control. This coupling can obscure non-parametric task semantics, reduce sample efficiency, and limit cross-agent reuse. We propose a meta-knowledge reutilization framework that learns task-level knowledge on a dynamics-simplified agent and transfers it to heterogeneous agents. The framework uses a Bayesian non-parametric prior to organize latent task modes and a high-level policy to generate task-level magnitude guidance. To bridge reusable task knowledge with different embodiments, we introduce a semantic-magnitude interface and a lightweight temporal adaptor, which convert frozen meta-knowledge into temporally aligned subgoals for embodiment-specific low-level controllers. Experiments on multiple locomotion agents show that our framework reduces final-step tracking error by 94.75% – 99.79% compared with recent state-of-the-art baselines and achieves comparable deployment performance with about 23.8% of their interaction data.

08.
arXiv (math.PR) 2026-06-15

Stability of the $k$-Plane Transform on Measures and Hölder-Type Comparisons of Wasserstein Metrics

arXiv:2605.00375v2 Announce Type: replace-cross Abstract: We establish stability estimates for the $k$-plane transform on finite positive Radon measures, with emphasis on Fourier and Wasserstein metrics. We first introduce a metric on $k$-plane transform data and prove a bi-Lipschitz stability estimate showing that this metric is equivalent to a generalized Fourier metric obtained by augmenting the Fourier distance between centered normalized measures with separate barycenter and total mass difference terms. Building on a Hölder-type comparison between Fourier and Wasserstein metrics due to Carrillo and Toscani, we extend this comparison to positive Radon measures under uniform bounds on centered moments of order slightly larger than $2$. This yields Hölder-type stability for the $k$-plane transform in a generalized $2$-Wasserstein metric and, in particular, a $W_2$-stability estimate for centered probability measures. We also compare the $2$-Wasserstein distance with its max-sliced analogue. For centered probability measures with uniformly bounded moments of order slightly larger than $2$, we prove a two-sided Hölder-type comparison between these distances. We then extend the result to positive Radon measures by applying it to centered normalized measures and adding separate barycenter and mass terms. Finally, for absolutely continuous compactly supported probability measures with bounded densities, we prove a strong equivalence between the $2$-Wasserstein distance of the measures and the $(k/2-1)$-order Sobolev norm of the $k$-plane transform data of the difference of their densities.

09.
arXiv (quant-ph) 2026-06-19

Operational Tube-Sector Theory of Quantum State Distinguishability Under Generalized Symmetries

作者:

arXiv:2606.19678v1 Announce Type: cross Abstract: A variational principle for quantum-state distinguishability is established in many-body systems with generalized symmetries, including noninvertible cases described by fusion categories. Standard fidelity and symmetry-resolved diagnostics emerge as coarse-grained limits of a more refined operational structure. When symmetry actions terminate at entanglement cuts, distinguishability is governed by boundary tube algebras within a symmetry-constrained measurement resource theory. The physically admissible instruments are characterized by complete positivity, entanglement-cut locality, boundary-module covariance, and sequential stability. The resulting optimal measurement structure is uniquely fixed by the center of the boundary tube algebra, $\mathcal{A}_{\mathrm{phys}} = Z\!\left(\mathrm{Tube}_{\mathcal{C}}(\mathcal{M}_A)\right)$, whose primitive idempotents define tube-sector probabilities that refine fidelity-based and symmetry-resolved descriptions. The associated tube positive-operator-valued measures (POVM) are extremal and yield optimal one-shot hypothesis-testing distinguishability under symmetry constraints. The construction is universal across fusion categories and independent of microscopic realization.

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

Litespark Inference For CPUs: Ultra-Fast SIMD Framework for Ternary (1.58-bit) Language Models

Large language models (LLMs) have transformed artificial intelligence, but their computational requirements remain prohibitive for most users. Standard inference demands expensive datacenter GPUs or cloud API access, leaving over one billion personal computers underutilized for AI workloads. Ternary models offer a path forward: their weights are constrained to {-1, 0, +1}, theoretically eliminating the need for floating-point multiplication. However, existing frameworks fail to exploit this structure, treating ternary models as dense floating-point networks. We address this gap with custom SIMD kernels that replace matrix multiplication with simple addition and subtraction operations, targeting the integer dot product instructions available on modern CPUs. Our implementation, Litespark-Inference, is pip-installable and integrates directly with Hugging-Face, achieving 18.15x higher throughput, 7.15x faster time-to-first-token and 6.03x memory reduction compared to standard PyTorch inference on Apple Silicon, with comparable or higher throughput speedups up to 95.81x on Intel and AMD processors.

11.
arXiv (CS.LG) 2026-06-16

A Conservation Law for Equilibrium Propagation and Coupled Learning

arXiv:2606.15444v1 Announce Type: cross Abstract: In this paper we show that the physical learning methods known as coupled learning (CL) and equilibrium propagation (EP) conserve a mass-like quantity in the trainable parameters in the continuous-time, small-nudging limit. We prove that this conservation holds in a broad range of physically relevant settings. We then show that the conservation law constrains the training dynamics in a way that makes convergence reliable in important settings for linear circuits. We conclude by discussing some practical implications of this conservation law.

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

Beyond Defensive Reporting: Machine Learning for Active Anti-Money Laundering Control in Insurance

arXiv:2606.16663v1 Announce Type: new Abstract: Money laundering through insurance claims poses a threat to insurers both through fraudulent payouts and reputational and regulatory risk. Despite this, little research has examined how such laundering can be prevented. This paper examines whether machine learning can help insurers flag suspicious claims before payout, shifting the focus from passive reporting to active prevention. Using production data from a major Norwegian insurer, we train gradient-boosted decision tree models to detect claims later reported to authorities for suspected money laundering. Because fraud and laundering may share behavioural patterns, we also examine whether insurance fraud labels can serve as an auxiliary training signal. We compare different learning setups using the Budget-Weighted Capture Rate, a metric introduced in this paper to measure how many laundering cases are captured when only a small share of claims can be manually reviewed. The results show that incorporating fraud-related investigation labels substantially improves laundering detection. The best-performing model captures nearly two-thirds of laundering cases within the top-ranked 2 to 6 percent of claims selected for investigation. To our knowledge, this is the first empirical study of machine learning for money laundering detection in insurance claims.

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

Recurrent neural networks approximate continuous functions

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

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

PIVOT: Bridging Black-Scholes Implied-Volatility and Price Objectives via Differentiable Jäckel Operator

arXiv:2606.17065v1 Announce Type: cross Abstract: Modern option-learning systems operate in two coordinates: price space, where markets quote and no-arbitrage constraints are most naturally enforced, and implied volatility (IV) space, where volatility surfaces are smoothed, regularized, and evaluated. The bottleneck is interface, not approximation: Jäckel's seminal "Let's Be Rational" (LBR) solver already inverts the Black-Scholes price to machine precision efficiently. What is missing is a differentiable layer that preserves LBR in the forward pass and avoids backpropagating through its branch logic. Such a layer must also confront the unavoidable singularity of the inverse map in the low-vega regime, where the sensitivity 1/vega diverges as vega -> 0. We close this gap with PIVOT, the Price-Implied-Volatility Objective Translator. PIVOT keeps the LBR forward pass intact and supplies the backward pass by implicit differentiation through the smooth Black-Scholes/Black-76 price map, with an explicit gating contract: invalid domains return NaN, well-conditioned rows receive the exact 1/vega gradient, and low-vega rows are attenuated rather than silently regularized. On a single H100, a fused Triton kernel reaches 1.79e9 IV/s at machine precision (9.3e-14 max relative error vs. the reference C solver); end-to-end label generation sustains 48.9M/s on synthetic chains and 16.6M/s on SPX OptionMetrics. In a HyperIV-style one-day reproduction on SPX, PIVOT-augmented objectives Pareto-dominate the baselines, reducing held-out price MAE by up to 43.4% and the strongest three-seed gated objective improving price MAE by 38.8% and IV MAE by 21.3% jointly; cross-asset results on RUT, VIX, and NDX show directional price-MAE gains of 40.1%, 24.2%, and 16.7%, while an ungated IV-roundtrip control collapses to a degenerate near-zero surface, confirming the gate as a correctness contract rather than a tuning knob.

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

TRACE: Learning to Compute on Circuit Graphs

arXiv:2509.21886v3 Announce Type: replace Abstract: Learning to compute, the ability to model the functional behavior of a circuit graph, is a fundamental challenge for graph representation learning. Yet, the dominant paradigm is architecturally mismatched for this task. This flawed assumption, central to mainstream message passing neural networks (MPNNs) and their conventional Transformer-based counterparts, prevents models from capturing the position-aware, hierarchical nature of computation. To resolve this, we introduce TRACE, a new paradigm built on an architecturally sound backbone and a principled learning objective. First, TRACE employs a Hierarchical Transformer that mirrors the step-by-step flow of computation, providing a faithful architectural backbone that replaces the flawed permutation-invariant aggregation. Second, we introduce function shift learning, a novel objective that decouples the learning problem. Instead of predicting the complex global function directly, our model is trained to predict only the function shift, the discrepancy between the true global function and a simple local approximation that assumes input independence. We validate this paradigm on various circuits modalities, including Register Transfer Level graphs, And-Inverter Graphs and post-mapping netlists. Across a comprehensive suite of benchmarks, TRACE substantially outperforms all prior architectures. These results demonstrate that our architecturally-aligned backbone and decoupled learning objective form a more robust paradigm for the fundamental challenge of learning the functional behavior of a circuit graph.

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

Hyperdimensional computing for structured querying on tabular data embeddings

arXiv:2606.13871v1 Announce Type: new Abstract: Tabular data embeddings have become a cornerstone of data profiling and data integration pipelines, enabling tasks such as entity annotation and resolution; schema matching; column type detection; and table search, among others. Existing approaches embed rows, columns, or entire tables into a vector space and rely on nearest-neighbor search to retrieve candidate matches. A fundamental limitation of current embedding methods is the lack of interpretable similarity scores: the concrete similarity value between a query and its nearest neighbour carries no intrinsic meaning, making it impossible to determine whether that neighbour is a true match or simply the least-dissimilar item in a corpus that contains no valid answer. This inability to set principled thresholds for retrieval undermines practical deployment, particularly for zero-match detection. We investigate the use of HyperDimensional Computing (HDC), specifically the Holographic Reduced Representations (HRR) model, as a framework for tabular row embeddings when the retrieval task corresponds to answering structured select-project queries in vector space. Exploiting the algebraic properties of HDC operations, we derive closed-form expected similarity values for both equality and non-equality retrieval predicates, which converge to interpretable values as dimensionality increases, and use these to identify suitable retrieval thresholds. We evaluate HDC against EmbDI, a graph-based baseline, on two real-world datasets across varying table sizes and predicate lengths. Our results show that HDC matches or outperforms EmbDI for row retrieval across all configurations, handles non-equality predicates more robustly, and achieves perfect attribute projection accuracy at sufficient dimensionality – while uniquely enabling reliable identification of zero-match predicates through its principled thresholds.

17.
arXiv (CS.LG) 2026-06-11

JGRA: Jacobian Geometry Robustness Assessment in NISQ Noise-Aware Quantum Neural Networks

arXiv:2606.09964v2 Announce Type: replace-cross Abstract: The NISQ era places stringent constraints on quantum computation, where noise and decoherence fundamentally limit performance. In classical deep learning, model robustness and resilience to perturbations are well studied: deep neural networks (DNNs) maintain high performance despite pruning, noise injection, and structural perturbations due to inherent redundancy in their representations. A central challenge in quantum machine learning is to transfer this notion of robustness to quantum neural networks (QNNs) under realistic NISQ noise. While classical deep learning exhibits robustness through structural redundancy, analogous principles for QNNs remain underdeveloped. We propose JGRA: a framework for assessing robustness in noise-aware QNNs via Jacobian geometry, capturing model sensitivity to parameter perturbations induced by noise. Our method includes entropy-matched noise calibration, noise-aware training, and noise-conditioned Jacobian extraction, yielding geometric descriptors that link clean-regime structure to noisy inference behaviour. We also empirically demonstrate that these descriptors encode predictive information about robustness under unseen noise.

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

A Robust Point Cloud Analysis Framework Inspired By Primary Visual Cortex

Despite significant advancements in point cloud analysis, reducing energy consumption and improving robustness remain understudied, largely due to the inherent limitations of Convolutional Neural Networks (CNNs). To address this issue, we draw inspiration from the primary visual cortex and propose a Dendritic-Connected Continuous-Coupled Neural Network (DC-CCNN), a novel Brain-Inspired Neural Network (BINN) architecture for point cloud analysis. By combining discrete and continuous encoding, our design replaces traditional Multilayer Perceptrons (MLPs) with more efficient and robust BINNs. Building upon this framework, we further propose an extended model, DC-CCNN++, to improve robustness under complex corruption conditions. Specifically, we introduce a Neuro-Inspired Robust Modulation-and-Readout Module (NRMR) to enhance feature stability and decision robustness through global-context gain modulation and dual-code evidence integration. We also design a Cortically Inspired Progressive Variability Training (CPVT) strategy, which progressively exposes the model to structured environmental variability while preserving stable clean-sample anchors during training. Experimental results show that DC-CCNN++ improves the performance of brain-inspired networks on point cloud analysis while maintaining performance comparable to state-of-the-art methods. Compared with the original DC-CCNN, it achieves stronger results on both classification and part segmentation, and exhibits enhanced robustness against sparsity, occlusion, Gaussian noise, salt-and-pepper noise, and spatial transformations. With its efficiency, robustness, and biologically grounded design, DC-CCNN++ provides a promising alternative to traditional deep learning methods for point cloud analysis. Code is available at https://anonymous.4open.science/r/DC-CCNNpp-44E3.

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

The Measurement Gap in the Automation of EU Law: Benchmarking Doctrinal Legal Reasoning under the EU AI Act

Large language models now produce legal text of at least median quality, yet no existing benchmark can evaluate whether they perform doctrinal legal reasoning, which forms the interpretive core of legal work, rather than the ancillary, paralegal tasks that most current legal-AI evaluations measure. This measurement gap is not only methodological but legal: the EU AI Act makes "appropriate accuracy" a binding requirement for high-risk AI used in the judicial domain, yet that requirement cannot acquire operational content without the very doctrinal-reasoning benchmark the field lacks.

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

Probabilistic Contrastive Pretraining for Multi-task ADME Property Prediction

arXiv:2606.11508v1 Announce Type: new Abstract: Accurate prediction of absorption, distribution, metabolism, and excretion (ADME) properties is critical to drug discovery, but remains challenging because ADME endpoints are noisy, interdependent, and often data-limited. We propose a molecular graph-transformer pretraining framework that combines chemistry-specific self-supervision with contrastive mutual information machine learning (cMIM). Our method encodes molecular graphs into latent variables, reconstructs SMILES strings from the graph-derived latent codes, and augments the contrastive objective with domain-specific self-supervised chemistry tasks. Rather than treating these tasks as auxiliary regularizers with separately tuned loss weights, we formulate reconstruction, contrastive discrimination, and chemistry-specific supervision as unit-weighted log-probability factors in a single probabilistic latent-variable objective. For fine-tuning, we propose a multi-task GNN readout architecture with task-specific multilayer perceptron heads, preserving shared representation learning while mitigating negative transfer and improving the modeling of heterogeneous, nonlinear task relationships. Across Biogen, ExpansionRX, and ChEMBL-MT, the resulting Contrastive KERMT pretraining improves over the KERMT baseline by 7.6%, 9.9%, and 9.5% respectively (averaged over significantly-improved endpoints). Adding ADME-adjacent molecules to the pretraining corpus further improves transfer, and the contrastive component sharpens chemically meaningful latent neighborhoods.

21.
bioRxiv (Bioinfo) 2026-06-17

DesignMaster: A Multi-Conditional Diffusion Framework for Rational PROTAC Design

Motivation: Proteolysis-targeting chimeras (PROTACs) enable targeted protein degradation through ternary complex formation with E3 ubiquitin ligase. However, the rational design of PROTACs remains highly challenging due to limited structure-activity relationship data and the vast conformational diversity of linkers. Existing computational approaches can be broadly divided into structure-based ternary modelling methods and fragment-based linker generation models. Although these approaches have advanced PROTAC design, they typically neglect key physicochemical constraints and linker-length control during the generation process, causing the generated PROTACs to lack balanced structural properties required for effective ternary complex formation with drug-like characteristics. Results: To address these limitations, we propose DesignMaster, a diffusion-based generative framework that explicitly incorporates linker length and physicochemical properties as controllable conditioning signals. DesignMaster employs an E(3)-equivariant graph Transformer with a gated multi-condition fusion module to inject linker length and physicochemical constraints throughout the diffusion process, enabling fine-grained and constraint-aware molecular generation. Experiments on PROTAC-DB 2.0 and 3.0 demonstrate that DesignMaster outperforms state-of-the-art baselines, with a 3.2% improvement in validity and a 34.4% improvement in recovery. The Case study shows DesignMaster achieves a 51.78% reduction in RMSD when predicting the linker of PROTAC BCPyr targeting 6W7O, highlighting its potential for practical structure-guided PROTAC design. Availability: The source code and datasets are available at https://github.com/ABILiLab/DesignMaster.

22.
arXiv (CS.AI) 2026-06-19

Physical Atari: A Robust and Accessible Platform for Real-time Reinforcement Learning on Robots

arXiv:2606.19357v1 Announce Type: cross Abstract: We built a robot called the Robotroller that actuates an Atari CX40+ controller and a device called the Atari Devbox that renders the game frame and the reward signal from the Arcade Learning Environment on a screen. The Robotroller and the Atari Devbox, together with an off-the-shelf camera and a desktop computer, constitute a system that can be used to study reinforcement learning algorithms in the physical world. We call the full system Physical Atari. In this paper, we detail the key decisions that make Physical Atari a robust and accessible platform. To make the system robust, we designed the Robotroller so that all movement is done through bearings, which reduces wear. Additionally, we wrote software that monitors the state of the servos at a high frequency and intervenes to limit stress. To make the system accessible, we used affordable off-the-shelf components and parts that can be manufactured using consumer 3D printers. Physical Atari can be built for under $1,000 and has been used for weeks of non-stop reinforcement learning experiments without any mechanical failures. We used it to validate that reinforcement learning algorithms can learn directly on robots and show that even small distribution shifts between learning and deployment can significantly degrade the performance of policies. Our results underscore the importance of on-device adaptation for strong performance on robots.

23.
arXiv (quant-ph) 2026-06-11

Partitioned Iterative Quantum Scheduling of Satellites for Urgent Disaster Response: Case study of Wildfire

arXiv:2606.12310v1 Announce Type: new Abstract: The standard in Earth-observation tasks today is having near real-time access to surface images in response to changing conditions. For instance, as urban environments interface more with wildlands and wildfires become less predictable, their tracking with satellite resources becomes essential. This requires the coordination of increasingly large constellations of satellites, giving rise to challenging computational problems. With wildfire detection and tracking as a backdrop, we investigate the power of special purpose and novel computing paradigms to tackle the ensuing satellite scheduling problems, making a compelling case for quantum algorithms. We bring quantum scheduling algorithms closer to implementation by examining both the emerging iterative quantum algorithm framework, which comes with analytic guarantees compared to some classical algorithms, and distributed quantum computing methods whose relevance is on the rise as utility-scale problems begin to get solved with quantum computers. Drawing strength from several computing fronts, we develop a distributed/parallelization scheme in conjunction with the quantum algorithm design and apply these techniques to real-world datasets for wildfire detection. While our quantum subprocesses are currently too small to see significant quantum advantage, our results validate the utility of these techniques, and continue forging the path toward distributed quantum computing.

24.
arXiv (CS.CV) 2026-06-15

HULFSynth : An INR based Super-Resolution and Ultra Low-Field MRI Synthesis via Contrast factor estimation

We present an unsupervised single image bidirectional Magnetic Resonance Image (MRI) synthesizer that synthesizes an Ultra-Low Field (ULF) like image from a High-Field (HF) magnitude image and vice-versa. Unlike existing MRI synthesis models, our approach is inspired by the physics that drives contrast changes between HF and ULF MRIs. Our forward model simulates a HF to ULF transformation by estimating the tissue-type Signal-to-Noise ratio (SNR) values based on target contrast values. For the Super-Resolution task, we used an Implicit Neural Representation (INR) network to synthesize HF image by simultaneously predicting tissue-type segmentations and image intensity without observed HF data. The proposed method is evaluated using synthetic ULF-like data from generated from standard 3T T$_1$-weighted images for qualitative assessments and paired 3T-64mT T$_1$-weighted images for validation experiments. WM-GM contrast improved by 52% in synthetic ULF-like images and 37% in 64mT images. Sensitivity experiments demonstrated the robustness of our forward model to variations in target contrast, noise and initial seeding.

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

FedBiCross: Personalized One-Shot Federated Learning on Medical Images

arXiv:2601.01901v4 Announce Type: replace Abstract: Data-free knowledge distillation-based one-shot federated learning (OSFL) trains a model in a single communication round without sharing raw data, making OSFL attractive for privacy-sensitive medical applications. However, existing methods aggregate predictions from all clients to form a global teacher. Under non-IID data, conflicting predictions dilute each other during averaging, yielding less informative soft labels that weaken distillation. We propose FedBiCross, a personalized OSFL framework with three stages: (1) clustering clients by model output similarity to form coherent sub-ensembles, (2) bi-level cross-cluster optimization that learns adaptive weights to selectively leverage beneficial cross-cluster knowledge while suppressing negative transfer, and (3) personalized distillation for client-specific adaptation. Experiments on four medical image datasets demonstrate that FedBiCross consistently outperforms state-of-the-art baselines across different non-IID degrees.