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01.
arXiv (quant-ph) 2026-06-16

Chiral Lattice Gauge Theories from Symmetry Disentanglers

arXiv:2601.04304v2 Announce Type: replace-cross Abstract: We propose a Hamiltonian framework for constructing chiral gauge theories on the lattice based on symmetry disentanglers: constant-depth circuits of local unitaries that transform not-on-site symmetries into on-site ones. When chiral symmetry can be realized not-on-site and such a disentangler exists, the symmetry can be implemented in a strictly local Hamiltonian and gauged by standard lattice methods. Using lattice rotor models, we realize this idea in 1+1 and 3+1 spacetime dimensions for $U(1)$ symmetries with mixed 't Hooft anomalies, and show that symmetry disentanglers can be constructed when anomalies cancel. As an example, we present an exactly solvable Hamiltonian lattice model of the (1+1)-dimensional "3450" chiral gauge theory, and we argue that a related construction applies to the $U(1)$ hypercharge symmetry of the Standard Model fermions in 3+1 dimensions. Our results open a new route toward fully local, nonperturbative formulations of chiral gauge theories.

02.
arXiv (CS.CL) 2026-06-17

Algorithmic Prompt Generation for Diverse Human-like Teaming and Communication with Large Language Models

Understanding how humans collaborate and communicate in teams is essential for improving human-agent teaming and AI-assisted decision-making. However, relying solely on data from large-scale user studies is impractical due to logistical, ethical, and practical constraints, necessitating synthetic models of multiple diverse human behaviors. Recently, agents powered by Large Language Models (LLMs) have been shown to emulate human-like behavior in social settings. But, obtaining a large set of diverse behaviors requires manual effort in the form of designing prompts. On the other hand, Quality Diversity (QD) optimization has been shown to be capable of generating diverse Reinforcement Learning (RL) agent behavior. In this work, we combine QD optimization with LLM-powered agents to iteratively search for prompts that generate diverse team behavior in a long-horizon, multi-step collaborative environment. We first show, through a human-subjects experiment, that humans exhibit diverse coordination and communication behavior in this domain. We then present a series of experiments showing that our approach captures behaviors that are difficult to observe without large-scale data collection, and a follow-up user study to show that these generated behaviors are human-like. Our findings highlight the combination of QD and LLM-powered agents as an effective tool for studying teaming and communication strategies in multi-agent collaboration.

03.
Nature (Science) 2026-06-10

Hybrid refinery process turns plant material into industrially important chemical

An ingredient of nylon has been made in high yields from lignin — revealing a fresh strategy for turning this complex plant biopolymer into industrial chemicals. An ingredient of nylon has been made in high yields from lignin — revealing a fresh strategy for turning this complex plant biopolymer into industrial chemicals.

04.
arXiv (quant-ph) 2026-06-16

REGRID-QAOA: A Resource-Efficient Graph-Reduced Hybrid QAOA Framework for Physics-Constrained Power System Islanding

arXiv:2606.15083v1 Announce Type: new Abstract: Quantum computing has rapidly emerged as a powerful paradigm for tackling computationally demanding problems. In particular, quantum optimization shows strong promise for hard combinatorial problems in power systems, where increasing distributed energy penetration heightens the need for intentional islanding to maintain grid reliability and resilience. However, power system islanding is an NP-hard combinatorial optimization problem that becomes computationally prohibitive for classical solvers as network size grows, motivating the use of quantum computing as a promising alternative pipeline. This study develops a resource-efficient hybrid QAOA islanding framework that brings physics-constrained power-system partitioning into the quantum optimization workflow. The framework combines coherency-informed graph reduction, physics-aware constraint modeling, and structured post-processing to efficiently convert shallow-circuit QAOA samples into high-quality feasible islanding decisions without deep circuits or large shot budgets. The proposed framework is validated on the standard IEEE benchmark systems (9-, 14-, 24-, 30-, 39-, and 57-bus), demonstrating that the hybrid workflow achieves Gurobi-optimal solution quality with a clear quantum resource advantage over vanilla QAOA, while the resulting islanding solutions satisfy all physical feasibility requirements after network separation. This study establishes QAOA-based islanding as a viable quantum approach for critical infrastructure, with structured post-processing as the key enabler of quantum resource efficiency.

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

Trimodal Glioma Representation Alignment via Volumetric Contrastive Learning

Glioma grading and survival prediction require the integration of heterogeneous information collected at different spatial and biological scales. Histopathology describes tissue morphology, mRNA expression captures molecular activity, and magnetic resonance imaging provides a non-invasive view of tumor extent and radiological heterogeneity. Existing glioma prognosis models often combine only two of these sources, while their alignment objectives remain mostly pairwise. This paper introduces GLORIA, a novel trimodal framework for GLioma Omics - Radiology - hIstopathology Alignment. GLORIA processes whole-slide image regions, gene-expression profiles, and 3D MRI volumes through modality-specific encoders, projects them into a shared latent space, and aligns them with a Gramian contrastive loss that measures the volume spanned by the three modality embeddings. The aligned representations are fused through a cross-modal gating module and optimized jointly for three-class glioma grading and overall survival prediction. We evaluate GLORIA on a matched TCGA-GBM/LGG and BraTS21 cohort, comprising 132 patients with all three modalities. On the shared trimodal test set, GLORIA improves over the bimodal WSI-mRNA baseline in all the metrics considered.

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

Neuron-based Personality Trait Induction in Large Language Models

Large language models (LLMs) have become increasingly proficient at simulating various personality traits, an important capability for supporting related applications (e.g., role-playing). To further improve this capacity, in this paper, we present a neuron-based approach for personality trait induction in LLMs, with three major technical contributions. First, we construct PersonalityBench, a large-scale dataset for identifying and evaluating personality traits in LLMs. This dataset is grounded in the Big Five personality traits from psychology and is designed to assess the generative capabilities of LLMs towards specific personality traits. Second, by leveraging PersonalityBench, we propose an efficient method for identifying personality-related neurons within LLMs by examining the opposite aspects of a given trait. Third, we develop a simple yet effective induction method that manipulates the values of these identified personality-related neurons. This method enables fine-grained control over the traits exhibited by LLMs without training and modifying model parameters. Extensive experiments validate the efficacy of our neuron identification and trait induction methods. Notably, our approach achieves comparable performance as fine-tuned models, offering a more efficient and flexible solution for personality trait induction in LLMs. We provide access to all the mentioned resources at https://github.com/RUCAIBox/NPTI.

07.
arXiv (CS.LG) 2026-06-16

Data-driven Control with Real-time Uncertainty Compensation for Multi-Fuel Engines

arXiv:2606.16171v1 Announce Type: cross Abstract: Multi-fuel compression ignition (CI) engines offer superior power density and fuel flexibility. However, achieving consistent and optimal combustion phasing across a wide range of operating conditions remains a major challenge, particularly in the presence of modeling uncertainties. This paper presents a novel, data-driven real-time uncertainty compensation framework for combustion control in multi-fuel CI engines. The proposed approach introduces a pseudo-engine speed that enables dynamic adaptation of control inputs in response to uncertainty affecting the engine. To model the underlying combustion process, a Gaussian Process Regression (GPR) model is first trained on available input-output data, capturing the nonlinear and fuel-dependent behavior across varying operating conditions. Control inputs are then synthesized through model inversion of the learned GPR surrogate and augmented with an uncertainty compensator designed to mitigate deviations caused by dynamic variations in operating conditions and model inaccuracies. This integrated control strategy allows for real-time input corrections within a finite number of combustion cycles. Theoretical analysis establishes finite-time convergence guarantees for the proposed controller. Simulation results demonstrate that the proposed method steers the combustion phasing to the desired value in real-time, providing a scalable and adaptive control solution for multi-fuel CI engine operation.

08.
arXiv (quant-ph) 2026-06-19

Strain- and Electric-Field-Tunable Valley Polarization in Mo0.75V0.25Te2(Mo3VTe8) for Valleytronic Application

arXiv:2606.19954v1 Announce Type: cross Abstract: Valley polarization in 2D TMDs is promising for low-power valleytronic and spin-valley information processing, but time-reversal symmetry in pristine nonmagnetic TMDs keeps the K+ and K- valleys degenerate, limiting device applications. In this work, we investigated the structural stability, electronic properties, and tunable valley polarization of V-alloyed MoTe2 monolayer, Mo0.75V0.25Te2, using first-principles density functional theory (DFT) calculations. Substitutional alloying of MoTe2 with V introduced magnetic exchange interaction, which, together with spin-orbit coupling (SOC), lifted the valley degeneracy at the unequal valleys. The alloyed structure was found to be energetically and dynamically stable due to the absence of imaginary phonon modes. In pristine MoTe2, SOC produced spin splittings of 34.0 meV and 218.9 meV in the conduction bands and valence bands, respectively, but no valley polarization was observed. In contrast, Mo0.75V0.25Te2 exhibited spontaneous valley polarization of 37.3 meV in the conduction band and 78.2 meV in the valence band. The valley polarization was further enhanced by external electric fields and biaxial strain. A transverse electric field along the crystal c axis produced the maximum valley splitting of 132.8 meV in the valence band, whereas biaxial tensile strain increased the valence band valley splitting up to 160.8 meV. The maximum conduction band valley splitting reached 54.4 meV under 2% biaxial compressive strain. These results demonstrated that V alloying, combined with electric-field and strain engineering, provides an effective strategy for achieving large and tunable valley polarization in MoTe2. Thus, Mo0.75V0.25Te2 can be considered a promising 2D platform for tunable valleytronic device applications, such as transistors and sensors.

09.
arXiv (CS.CV) 2026-06-25

C3-Bench: A Context-Aware Change Captioning Benchmark

While Change Captioning systems have garnered substantial attention to respond to our evolving world, their true performance on diverse real-world change contexts remains largely unexplored due to the lack of comprehensive evaluation frameworks. To fill this gap, we propose C3-Bench, a comprehensive benchmark for evaluating Context-aware Change Captioning. C3-Bench features: (1) 4,996 human-labeled image pairs of 51 real-world change contexts across four domains (e.g., natural scenes, remote sensing imagery, image editing, and anomalies), each with diverse, carefully curated scenarios derived from multiple change-centric communities; and (2) the first LLM-as-Judge evaluation framework in the change captioning task that measure fine-grained dimensions (e.g., correctness, specificity, fluency, and relevance), along with a novel reversibility metric exploring whether models understand changes with symmetric consistency. Based on C3-Bench, we benchmark 32 models – including conventional change captioning models, proprietary Large Multimodal Models (LMMs), and 2B-90B open-source LMMs. We reveal a fundamental blind spot in the prevailing change captioning paradigm: Once the change context departs from training-style regimes, conventional models collapse, and even state-of-the-art LMMs such as GPT-5.2 exhibit systematic domain- and position-dependent errors that distort reliable change understanding. By making these hidden failure modes explicit and measurable, we delineate the next frontier for building generalizable and trustworthy change captioning systems. All codes and datasets are publicly available on the project page.

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

Keep It in Mind: User Centric Continual Spatial Intelligence Reasoning in Egocentric Video Streams

We introduce UCS-Bench, a dataset spanning 170+ hours of egocentric visual observations with 8.1K+ timestamped questions for diagnosing User-Centric Continual Spatial intelligence in egocentric video streams. UCS-Bench targets a new problem that emphasizes dynamic spatial reasoning, long-term memory, and their alignment with users' real-time locations. We propose DirectMe, a framework that incrementally constructs and maintains a structured spatial memory from streaming egocentric observations. DirectMe enables robust tracking and recall of object locations, all relative to the user's movement over time. By tightly coupling visual perception with memory updates and spatial reasoning, our approach supports long-horizon queries that require recalling interactions, resolving viewpoint-induced ambiguities, and adapting to dynamic scenes. Our experiments show that DirectMe significantly improves the spatial reasoning of leading multimodal LLMs; it also surpasses many spatially aware and long-form streaming video models. We hope our benchmark and solution will advance spatial intelligence research for egocentric AI assistants. Data and code are available at https://github.com/cocowy1/UCS-Bench.

11.
arXiv (quant-ph) 2026-06-25

Imposing Constraints on Driver Hamiltonians and Mixing Operators: From Theory to Practical Implementation

arXiv:2407.01975v3 Announce Type: replace Abstract: Driver Hamiltonians and Mixing Operators that satisfy constraints is an important part of ansatz construction for many quantum algorithms. In this manuscript, we give general algebraic expressions for finding Hamiltonian terms and analogously unitary primitives, that satisfy constraint embeddings and use these to give complexity characterizations of the related problems. We prove that knowing if operators exist that enforce classical constraints is NP-Complete in the general case, but give algorithmic procedures with worse-case polynomial runtime to find any operators with a constant locality bound; a useful result since many constraints imposed admit local operators to enforce them in practice. We then give algorithmic procedures to turn these algebraic primitives into Hamiltonian drivers and unitary mixers that can be used for Constrained Quantum Annealing (CQA) and Quantum Alternating Operator Ansatz (QAOA) constructions by tackling practical problems related to finding an appropriate set of reduced generators and defining corresponding drivers and mixers accordingly. We consider a new QAOA approach based on the maximally disjoint subset as well as higher order constraint satisfaction terms for 1-in-3 SAT, which dramatically outperform the X-mixer.

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

Escaping the Self-Confirmation Trap: An Execute-Distill-Verify Paradigm for Agentic Experience Learning

Experience-driven self-evolution is critical for large language model (LLM) agents to improve through open-world interaction. However, existing experience learning methods mostly rely on single-agent loops, where the same agent executes tasks, summarizes outcomes, and determines memory content. This setup makes agents vulnerable to the Self-Confirmation Trap: wrong-but-self-consistent trajectories are misidentified as successful experience, leading to cumulative errors during retrieval and reuse. To address this issue, we propose EDV, an Execute-Distill-Verify framework for reliable experience learning. In the Execute stage, multiple heterogeneous agents explore the same task space in parallel to generate diverse candidate trajectories. In the Distill stage, a dedicated third-party agent comparatively analyzes these trajectories to produce candidate experiences, reducing executor-centric summarization bias. In the Verify stage, the execution group validates candidates via a consensus mechanism, and only approved experiences are written into shared or private memory. By decoupling the three stages, EDV transforms experience learning from isolated self-reflection into collaborative construction, filtering erroneous and noisy content before memory insertion. We evaluate EDV on three challenging long-horizon benchmarks: tau2-bench, Mind2Web and MMTB. Results show EDV consistently outperforms strong baselines, validating that reliable experience construction is essential for robust agent self-evolution. Our code is available at https://github.com/shidingz/EDV.

13.
arXiv (CS.AI) 2026-06-25

Multi-Agent Goal Recognition with Team- and Goal-Conditioned Reinforcement Learning and Factorized Branch-and-Bound

arXiv:2606.25978v1 Announce Type: cross Abstract: Multi-agent goal recognition asks an observer to jointly infer which agents act together and what each team is trying to achieve, so the hypothesis space grows combinatorially with the number of team partitions and goals per team. Real applications such as drone surveillance and collaborative robotics expose only the agents' trajectory, which forces the observer to rank team-goal hypotheses from behavior alone. Multi-Agent Goal Recognition with Branch-and-Bound (MAGR-BB) addresses this setting with a shared team- and goal-conditioned policy used as the scoring model inside a factorized branch-and-bound search. On a controlled multi-agent Blocksworld benchmark, MAGR-BB returns the same top-ranked hypothesis as exhaustive search throughout the trajectory while cutting hypothesis materialization by orders of magnitude and reducing cumulative recognition runtime substantially.

14.
bioRxiv (Bioinfo) 2026-06-11

TifBERT: a self-supervised foundation model for normalization-robust bulk RNA-seq representation learning

Bulk RNA sequencing remains central to translational genomics, yet foundation-model development has largely focused on single-cell data. Existing transformer approaches for bulk RNA-seq often rely on expression discretization, numerical reconstruction, external gene embeddings, or restricted gene sets, limiting robustness across normalization schemes and cohorts. Here, we introduce TifBERT, a self-supervised framework for full-transcriptome bulk RNA-seq representation learning. TifBERT converts each unordered expression profile into a sample-specific gene sequence using term frequency-inverse document frequency (TF-IDF) ordering, prioritizing genes that are both highly expressed within a sample and selectively expressed across the cohort. It is then pretrained using masked gene modeling, predicting gene identities from transcriptomic context rather than reconstructing expression values. Pretrained on harmonized TCGA Pan-Cancer data spanning five RNA-seq normalization schemes, TifBERT learns contextual representations across approximately 10,000 genes without expression binning, landmark-gene restriction, or external biological embeddings. Across 33 TCGA cancer types, TifBERT achieved 90.83% accuracy, 0.996 macro AUC-ROC, and 0.903 MCC. It also captured pathway-level biology, achieving mean sample-wise and pathway-wise Pearson correlations of 0.754 and 0.762 across 1,387 PARADIGM pathway activities. Independent evaluation on GTEx healthy tissues showed preservation of tissue-level transcriptomic structure without retraining. In comparison with existing models, TifBERT achieves competitive subtype discrimination with substantially greater stability and produces markedly richer embedding geometry (effective rank 95.6 versus 6.3), without requiring expression discretization or in-distribution pretraining exposure. Together, TifBERT provides a scalable, normalization-independent foundation model for reusable bulk transcriptomic representation learning

15.
medRxiv (Medicine) 2026-06-22

Level of Physical Activity and ApoE Status - Effects on Alzheimer's Disease and on Mortality

Background: Alzheimer's disease and related dementias (ADRD) affect over 7.2 million Americans aged 65 and older, with the APOE-4 allele representing the strongest known genetic risk factor. Physical activity (PA) has been associated with reduced dementia risk, but its interaction with APOE genotype remains poorly characterized in large, genomically informed cohorts. Methods: We conducted a retrospective cohort analysis using linked genomic, survey, and longitudinal electronic health record data from the VA Million Veteran Program (MVP). Veterans aged

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

ToaSt: Token Channel Selection and Structured Pruning for Efficient ViT

Vision Transformers (ViTs) have achieved remarkable success across various vision tasks, yet their deployment is often hindered by prohibitive computational costs. While structured weight pruning and token compression have emerged as promising solutions, they suffer from prolonged retraining and inter-layer dependencies that complicate optimization, respectively. We propose ToaSt, a decoupled framework applying specialized strategies to distinct ViT components. We apply coupled head-wise structured pruning to Multi-Head Self-Attention modules, leveraging attention operation characteristics to enhance robustness. For Feed-Forward Networks (over 60% of FLOPs), we introduce Token Channel Selection (TCS), a training-free method that filters redundant noise channels at inference time. Extensive evaluations across nine diverse models, including DeiT, ViT-MAE, and Swin Transformer, demonstrate that ToaSt achieves superior trade-offs between accuracy and efficiency, consistently outperforming existing baselines. On ViT-MAE-Huge, ToaSt achieves 88.52% accuracy (+1.64%p) with 39.4% FLOPs reduction. ToaSt also transfers effectively to diverse downstream tasks (COCO detection, ADE20K segmentation, CIFAR-100 classification), achieving 52.2 versus 51.9 mAP on COCO. Code: github.com/SHANNonLab-HUFS/ToaSt

17.
medRxiv (Medicine) 2026-06-24

Clinical Evaluation of Automated Self-Operated Transvaginal Ultrasound for Ovarian Stimulation Monitoring

Objective To evaluate the feasibility, safety, patient acceptance, and preliminary clinical relevance of automated self-operated transvaginal ultrasound for ovarian stimulation monitoring. Design Prospective observational pilot study. Subjects Ten women undergoing ovarian stimulation for in vitro fertilization or fertility preservation at a single high-volume private IVF center. Exposure Participants performed investigational self-operated transvaginal ultrasound examinations immediately following standard monitoring visits. Patients inserted and stabilized the ultrasound probe while ovarian and endometrial imaging was acquired through controlled motorized probe rotation without real-time anatomical guidance. Main Outcome Measure(s) The primary outcome was feasibility, defined as the generation of evaluable imaging datasets suitable for ovarian stimulation monitoring. Secondary outcomes included bilateral ovarian visualization, procedural safety, patient-reported outcomes, follicular assessment, and agreement of endometrial thickness measurements with standard transvaginal ultrasound. Result(s) Nineteen investigational scan attempts were performed, yielding 18 evaluable datasets (94.7%). Bilateral ovarian visualization was achieved in 16 of 18 evaluable examinations (88.9%), whereas partial ovarian visualization occurred in 2 examinations (11.1%). No adverse events, adverse device effects, vaginal injury, bleeding, or infection were observed. Patient-reported outcomes demonstrated high procedural acceptability, with all participants expressing willingness to reuse the system. Compared with standard transvaginal ultrasound monitoring, investigational self-operated acquisition significantly improved overall examination experience (Wilcoxon p=0.002). Investigational imaging demonstrated clinically relevant agreement with standard transvaginal ultrasound for follicular categorization and endometrial assessment. Counts of follicles [≥]14 mm correlated strongly with mature oocyte recovery for both investigational and standard ultrasound measurements (Spearman {rho}=0.83 and {rho}=0.80, respectively). Endometrial thickness measurements also demonstrated strong correlation between modalities (Spearman {rho}=0.91). Conclusion(s) This prospective pilot study demonstrates the feasibility of automated self-operated transvaginal ultrasound during ovarian stimulation monitoring. Investigational imaging generated clinically relevant monitoring information without observed safety concerns and was associated with high patient acceptance. These findings support further investigation of patient-operated acquisition strategies and standardized imaging workflows in reproductive medicine.

18.
arXiv (CS.AI) 2026-06-16

Sensor-Conditioned Representation Learning via Scene-Relevant Observation Quotients

arXiv:2606.16210v1 Announce Type: new Abstract: Learned representations in intelligent sensing systems are often evaluated by reconstruction fidelity or downstream prediction accuracy, but these criteria do not specify which latent distinctions are justified by the sensing process. In sensor-conditioned environments, nuisance factors can change measurements without changing the scene, while distinct scenes may be indistinguishable under limited sensing capability. This paper formulates sensor-conditioned representation correctness as preserving sensing-supported scene distinctions while suppressing nuisance-induced and sensor-unsupported variation. We introduce the scene-relevant observation quotient, a representation target induced by sensing-supported distinguishability after nuisance canonicalization, and develop Observation-Quotient Tucker-Structured Autoencoding (OQ-TSAE), a scene-nuisance factorized framework with diagnostics for false distinction, false merge, nuisance sensitivity, and latent ordering consistency. Experiments on a controlled benchmark show that quotient-consistent supervision improves representation-correctness diagnostics over reconstruction-oriented, metric-learning, and contrastive-learning baselines. Sensitivity, perturbation, and ablation studies show the importance of quotient-aligned supervision, reliable quotient relations, and quotient geometry. Complementary real-radar experiments show that a reconstruction-only OQ-TSAE variant retains competitive downstream utility, robustness under observation degradation, and low seed-to-seed variability. These results suggest that sensor-conditioned representations should be evaluated not only by predictive utility, but also by whether their latent geometry preserves sensing-justified scene distinctions.

19.
Nature (Science) 2026-06-10

Lignin to adipic acid in a high-yield chemical and biological redox process

Viable manufacturing pathways to produce bio-based chemicals from renewable feedstocks, such as lignin derived from plant biomass, are needed to decarbonize the chemicals manufacturing sector. Converting the recalcitrant lignin polymer to valuable bioproducts remains a longstanding challenge in biorefining, with the highest reported single-product yield from lignin currently around 20 wt% (refs. 1–4). Most existing lignin depolymerization strategies target aryl–ether bond cleavage, which can produce aromatic monomers in yields of only about 30 wt%, and still as complex mixtures with C–C-linked dimers and oligomers5,6. The recalcitrance of these C–C linkages between aromatic moieties fundamentally limits single-product yields from lignin, prompting the development of strategies to efficiently cleave these C–C bonds3,7–9. Here we show how reductive processing of lignin from poplar accesses a hydrocarbon mixture of alkyl-aromatic monomers and oligomers that is privileged for oxidative conversion to monomeric aromatic carboxylic acids, comprising mostly benzoic acid and phthalic acid isomers in up to 73 wt% monomer yields, using a Co/Mn/Br catalyst. The soil bacterium Pseudomonas putida KT2440 was engineered to convert this mixture of aromatic carboxylic acids to muconolactone, a precursor to bio-based nylons, enabling final adipic acid yields up to 26 wt% (gram adipic acid per gram lignin) with a maximum theoretical yield of 57 wt%. This pairing of reductive and oxidative steps with lignin resembles processes in petrochemical refining and shows how lignin may be converted into a single, valuable bioproduct in high yields. A chemical and biological redox process that resembles processes in petrochemical refining is used to convert lignin from poplar into a single, valuable bioproduct, adipic acid, in high yields.

20.
bioRxiv (Bioinfo) 2026-06-16

Infectious Disease Forecasting via Physics-Informed Machine Learning

Infectious disease transmission evolves as a dynamic process shaped by biological mechanisms, population behavior, and intervention policies, yet public health responses are often driven by lagging indicators. Accurate short- and long-term disease forecasting is essential for the timely deployment of intervention strategies, healthcare capacity planning, and uncertainty-aware, risk-informed decision-making. To address this challenge, three broad classes of forecasting models have traditionally been used: statistical, machine learning, and mechanistic approaches. However, each of these modeling paradigms faces fundamental limitations. In particular, traditional statistical models often lack the flexibility needed to capture complex disease dynamics, machine learning approaches require large, high-quality data streams, and mechanistic models are notoriously difficult to calibrate. To overcome these challenges, we propose a novel physics-informed machine learning (PIML) framework for forecasting infectious disease dynamics. Our approach simultaneously forecasts new case and hospitalization counts, along with other key epidemiological quantities such as the time-varying reproduction number. This is achieved through the design of a machine learning model and estimation strategy regularized by a system of differential equations that encode disease dynamics of the SIHR model, thereby bridging the gap between purely data-driven and mechanistic models. We demonstrate the proposed methodology through in-depth numerical studies and an application to COVID-19 data collected in the state of South Carolina.

21.
arXiv (CS.CV) 2026-06-19

SpatialSV: Internalizing Interpretable 3D Spatial Awareness in MLLMs via Task-Oriented Visual Supervision

Unlocking the spatial intelligence of multimodal large language model (MLLMs) is crucial for understanding and interacting with the 3D world. Prevailing approaches typically inject spatial priors via external tools, which impose significant inference overhead, or rely on latent feature distillation, which remains uninterpretable and lacks fine-grained geometric constraints. To address these issues, we propose SpatialSV, a framework designed to internalize robust 3D spatial awareness within MLLMs while simultaneously offering inherent interpretability. Deviating from passive feature imitation, SpatialSV employs task-oriented visual supervision, compelling the model to actively lift its 2D visual features into explicit 3D representations, including depth maps, camera poses, and point clouds. Crucially, this 2D-to-3D lifting process provides a transparent window into the model's representations: the resulting 3D reconstructions serve as an intuitive proxy for visualizing and diagnosing the quality of the model's intrinsic spatial knowledge. Extensive experiments across multiple models and benchmarks demonstrate the effectiveness of SpatialSV in enhancing and interpreting MLLMs' spatial intelligence. Furthermore, the framework exhibits strong generalization in semi-supervised settings, validating its potential to leverage unlabeled visual data for scalable, interpretable spatial representation learning.

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

APCyc: Property-Informed Design of Cyclic Peptides via Automated Cyclization

arXiv:2606.12991v1 Announce Type: new Abstract: Cyclic peptides represent a promising class of therapeutic compounds in modern drug discovery, often offering improved stability and binding affinity. However, the de novo design of cyclic peptides remains challenging because methods must identify pocket-adaptive cyclization patterns and linkage sites while simultaneously controlling drug-relevant properties. This challenge is particularly pronounced for recent generative models trained predominantly on linear peptide data, which may fail to capture cyclization-specific constraints. To address the limitation, we introduce APCyc, a target-aware de novo cyclic peptide generation framework that explicitly models cyclization and jointly optimizes multiple essential physicochemical properties. By using an expanded residue vocabulary and explicitly encoding cyclization-site and linkage-type information, APCyc learns cyclization-aware representations and leverages Bayesian posterior guidance to steer sampling toward cyclic peptides satisfying multiple property objectives. Experimental results demonstrate that our model learns target-dependent cyclization preferences, and enables effective and controllable multi-property optimization for cyclic peptide design. The source code of this paper is available at https://github.com/HKUSTGZ-ML4Health-Lab/APCyc.

23.
arXiv (CS.AI) 2026-06-25

FDN: Interpretable Spatiotemporal Forecasting with Future Decomposition Networks

arXiv:2606.25201v1 Announce Type: cross Abstract: Spatiotemporal systems comprise a collection of spatially distributed yet interdependent entities each generating unique dynamic signals. Highly sophisticated methods have been proposed in recent years delivering state-of-the-art (SOTA) forecasts but few have focused on interpretability. To address this, we propose the Future Decomposition Network (FDN), a novel forecast model capable of (a) providing interpretable predictions through classification (b) revealing latent activity patterns in the target time-series and (c) delivering forecasts competitive with SOTA methods at a fraction of their memory and runtime cost. We conduct comprehensive analyses on FDN for multiple datasets from hydrologic, traffic, and energy systems, demonstrating its improved accuracy and interpretability.

24.
arXiv (math.PR) 2026-06-11

Heat kernel estimates for Markov processes with blowing-up jump kernels

arXiv:2512.24807v2 Announce Type: replace Abstract: In this paper, we establish sharp two-sided heat kernel estimates for a large class of purely discontinuous symmetric Markov processes on closed subsets $F$ of $\mathbb{R}^d$, whose jump kernels blow up on a Borel subset $\Sigma$ of $F$. We assume that $F\setminus \Sigma$ is a $\kappa$-fat set and is dense in $F$. To the best of our knowledge, this is the first work establishing sharp heat kernel estimates for jump processes whose jump kernels blow up on part of the state space. The jump kernels under consideration take the form $J(x,y)=|x-y|^{-d-\alpha}{\mathcal B}(x,y)$, where $\alpha\in (0,2)$ and the function ${\mathcal B}(x,y)$ blows up at a subset $\Sigma$ of $F$. A fundamental obstacle is that the tails of the jump measures are not uniformly bounded, and hence standard techniques in heat kernel analysis do not provide a priori off-diagonal estimates. To overcome this difficulty, we develop a new approach based on weighted integral estimates for the heat kernel that are sensitive to both the blow-up behavior of the jump kernel and the geometry of $F\setminus \Sigma$. Examples of processes falling within our general framework include traces of isotropic $\alpha$-stable processes in $C^{1,\rm Dini}$ sets, processes in Lipschitz sets arising in connection with the nonlocal Neumann problem, and a large class of resurrected self-similar processes in the closed upper half-space.

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

RaBiT: Residual-Aware Binarization Training for Accurate and Efficient LLMs

arXiv:2602.05367v3 Announce Type: replace Abstract: Efficient deployment of large language models (LLMs) requires extreme quantization, forcing a critical trade-off between low-bit efficiency and performance. Residual binarization enables hardware-friendly, matmul-free inference by stacking binary ($\pm$1) layers, but is plagued by pathological feature co-adaptation. We identify a key failure mode, which we term inter-path adaptation: during quantization-aware training (QAT), parallel residual binary paths learn redundant features, degrading the error-compensation structure and limiting the expressive capacity of the model. While prior work relies on heuristic workarounds (e.g., path freezing) that constrain the solution space, we propose RaBiT, a novel quantization framework that resolves co-adaptation by algorithmically enforcing a residual hierarchy. Its core mechanism sequentially derives each binary path from a single shared full-precision weight, which ensures that every path corrects the error of the preceding one. This process is stabilized by a robust initialization that prioritizes functional preservation over mere weight approximation. RaBiT redefines the 2-bit accuracy-efficiency frontier: it achieves state-of-the-art performance, rivals even hardware-intensive Vector Quantization (VQ) methods, and delivers a $4.49\times$ inference speed-up over full-precision models on an RTX 4090. Code is available at https://github.com/SamsungLabs/RaBiT.