Academic Intelligence · Curated Daily

探索全球前沿学术脉络

AcademicHub 汇聚顶级期刊与预印本平台的实时文献。定制您的专属科研雷达,利用大语言模型自动生成交叉领域文献分析简报。

01.
arXiv (CS.CL) 2026-06-12

From Passive Generation to Investigation: A Proactive Scientific Peer Review Agent

Large language models (LLMs) have shown promise in automating scientific peer review. However, existing approaches often struggle to generate in-depth reviews supported by concrete evidence. We argue that a key limitation is the lack of flexibility to proactively investigate suspicious parts of a paper based on accumulated evidence, as human reviewers do. In this paper, we explore how to enable an LLM-based review agent to perform such proactive investigation. We find that this can be naturally formulated as a Markov Decision Process (MDP), and propose ProReviewer, a scientific peer review agent that proactively reviews a paper guided by a maintained, structured review log. The structured review log serves as a workspace for the agent to track evidence and intermediate findings collected during review. Experiments show that ProReviewer with an 8B backbone, trained by supervised fine-tuning and optimized by reinforcement learning, achieves the highest average score across five quality dimensions, outperforming prompt-based methods with much larger frontier LLMs by up to 39% and the strongest fine-tuned baseline by 16% relatively. It also attains the highest win rates against baselines in human evaluation.

02.
arXiv (CS.AI) 2026-06-18

A Convex Route to Thermoelasticity: Learning Internal Energy and Dissipation

arXiv:2603.28707v3 Announce Type: replace-cross Abstract: We present a physics-based neural network framework for the discovery of constitutive models in fully coupled thermomechanics. In contrast to classical formulations based on the Helmholtz energy, we adopt the internal energy and a dissipation potential as primary constitutive functions, expressed in terms of deformation and entropy. This choice avoids the need to enforce mixed convexity–concavity conditions and facilitates a consistent incorporation of thermodynamic principles. In this contribution, we focus on materials without preferred directions or internal variables. While the formulation is posed in terms of entropy, the temperature is treated as the independent observable, and the entropy is inferred internally through the constitutive relation, enabling thermodynamically consistent modeling without requiring entropy data. Thermodynamic admissibility of the networks is guaranteed by construction. The internal energy and dissipation potential are represented by input convex neural networks, ensuring convexity and compliance with the second law. Objectivity, material symmetry, and normalization are embedded directly into the architecture through invariant-based representations and zero-anchored formulations. We demonstrate the performance of the proposed framework on synthetic and experimental datasets, including purely thermal problems and fully coupled thermomechanical responses of soft tissues and filled rubbers. The results show that the learned models accurately capture the underlying constitutive behavior. All code, data, and trained models are made publicly available via https://doi.org/10.5281/zenodo.19248596.

03.
arXiv (quant-ph) 2026-06-16

Optimizing Wigner Negativity in Scattering Processes Using Energetic Cost Functions

arXiv:2606.15101v1 Announce Type: new Abstract: Wigner negativities (WNs) are key signatures of non-Gaussian bosonic states and essential resources for quantum technologies. We study their generation in the scattering of coherent pulses by a two-level atom coupled to a one-dimensional reservoir, a unitary and energy-preserving platform. Optimization in this multimode setting is hindered by the complexity of evaluating Wigner functions. We overcome this challenge by introducing energetic cost functions that identify output modes most likely to host large negativities. First using incoherent energy and then isolating a genuinely non-Gaussian contribution, we demonstrate a strong correlation between these quantities and WNs. This correlation extends beyond short, intense pulses to encompass pulses of finite energy, where photons are scattered while the two-level atom is driven. Focusing on the energy-efficiency of the process, we show that maximally efficient generation takes place for one input photon, on average, spectrally mode-matched with the atom.

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

Variational autoencoders with latent high-dimensional steady geometric flows for dynamics

arXiv:2410.10137v5 Announce Type: replace Abstract: We develop Riemannian approaches to variational autoencoders (VAEs) for PDE-type ambient data with regularizing geometric latent dynamics, which we refer to as VAE-DLM, or VAEs with dynamical latent manifolds. We redevelop the VAE framework such that manifold geometries, subject to our geometric flow, embedded in Euclidean space are learned in the intermediary latent space developed by encoders and decoders. By tailoring the geometric flow in which the latent space evolves, we induce latent geometric properties of our choosing, which are reflected in empirical performance. We reformulate the traditional evidence lower bound (ELBO) loss with a considerate choice of prior. We develop a linear geometric flow with a steady-state regularizing term. This flow requires only automatic differentiation of one time derivative, and can be solved in moderately high dimensions in a physics-informed approach, allowing more expressive latent representations. We discuss how this flow can be formulated as a gradient flow, and maintains entropy away from metric singularity. This, along with an eigenvalue penalization condition, helps ensure the manifold is sufficiently large in measure, nondegenerate, and a canonical geometry, which contribute to a robust representation. Our methods focus on the modified multi-layer perceptron architecture with tanh activations for the manifold encoder-decoder. We demonstrate, on our datasets of interest, our methods perform at least as well as the traditional VAE, and oftentimes better. Our methods can outperform this and a VAE endowed with our proposed architecture, frequently reducing out-of-distribution (OOD) error between 15% to 35% on select datasets. We highlight our method on ambient PDEs whose solutions maintain minimal variation in late times. We provide empirical justification towards how we can improve robust learning for external dynamics with VAEs.

05.
arXiv (CS.AI) 2026-06-17

Blueprint First, Model Second: A Framework for Deterministic LLM Workflow

arXiv:2508.02721v2 Announce Type: replace-cross Abstract: While powerful, the inherent non-determinism of large language model (LLM) agents limits their application in structured operational environments where procedural fidelity and predictable execution are strict requirements. This limitation stems from current architectures that conflate probabilistic, high-level planning with low-level action execution within a single generative process. To address this, we introduce the \textsc{Source Code Agent} framework, a new paradigm built on the ``Blueprint First, Model Second'' philosophy that decouples workflow logic from the generative model. An expert-defined operational procedure is first codified into a source code-based Execution Blueprint, which is then executed by a deterministic engine. The LLM is strategically invoked as a specialized tool to handle bounded, complex sub-tasks within the workflow, but never to decide the workflow's path. We evaluate on the TravelPlanner benchmark for constraint-aware travel planning. The \textsc{Source Code Agent} achieves a 35.56\% final pass rate, a 97.6\% improvement over the state-of-the-art ATLAS baseline (18.00\%) on the same Claude-Sonnet-4 backbone. Critically, it reduces constraint violations by 96.0\% (11 vs 275) while improving execution efficiency by 27.1\% (10.2$\pm$0.7 steps vs 14.0). Two production incident-diagnosis deployments and additional results on ScienceWorld and ALFWorld confirm that the architecture transfers beyond travel planning to procedurally well-defined, constraint-intensive workflows. Our work enables the verifiable and reliable deployment of autonomous agents in applications governed by strict procedural logic.

06.
medRxiv (Medicine) 2026-06-22

Demographic Calibration Gaps in Breast Cancer Risk Prediction: Introducing the Demographic Calibration Gap Score

作者:

ABSTRACT: Most breast cancer prediction studies skip calibration reporting entirely. Fewer still examine calibration by demographic subgroup. Predicted probabilities that are systematically off for specific racial or gender groups produce biased clinical decisions, and aggregate statistics will not catch that. Objective: To introduce the Demographic Calibration Gap Score (DCGS), a metric that measures how much calibration error varies across demographic subgroups, and to show how it performs across five classifiers, four calibration conditions, and two datasets. Methods: Five classifiers were trained on the Wisconsin Diagnostic Breast Cancer dataset (n=569) and evaluated on a breast cancer cohort from MIMIC-IV (n=1,316). Three global calibration methods were applied: no calibration, Platt scaling, and isotonic regression. A fourth condition, subgroup-targeted Platt scaling, was applied to the MIMIC cohort. DCGS was computed as across racial and gender subgroups, with 95% bootstrap confidence intervals. Conformal prediction coverage and Demographic Coverage Gap (DCG) were reported. Results: On Wisconsin, all five models achieved AUROC above 0.98 and ECE below 0.12. Performance fell sharply on the MIMIC external cohort: AUROC dropped to 0.45-0.57 for base and globally calibrated variants, confirming distributional shift. DCGS exceeded the 0.05 clinical significance threshold in 28 of 40 model-calibration combinations on the race axis. Neither global Platt nor isotonic calibration reliably reduced DCGS below that threshold. Conformal coverage collapsed to roughly 25% on MIMIC, and racial DCG exceeded 0.15 for all 20 model-variant combinations. Conclusions: Reducing population-level ECE through global recalibration does not reliably close demographic calibration gaps. DCGS gives researchers a direct, standardized way to detect and report those disparities. Code and the DCGS computation library are released as open-source Python under the MIT License.

07.
arXiv (CS.AI) 2026-06-18

Self-Evolving Multi-Agent Systems via Textual Backpropagation

arXiv:2506.09046v3 Announce Type: replace-cross Abstract: Leveraging multiple Large Language Models (LLMs) has proven effective for addressing complex, high-dimensional tasks, but current approaches often rely on static, manually engineered multi-agent configurations. To overcome these constraints, we present the Agentic Neural Network (ANN), a framework that conceptualizes multi-agent collaboration as a layered neural network architecture. In this design, each agent operates as a node, and each layer forms a cooperative team focused on a specific subtask. Our framework follows a two-phase optimization strategy: (1) Forward Phase - Drawing inspiration from neural network forward passes, tasks are dynamically decomposed into subtasks, and cooperative agent teams with suitable aggregation methods are constructed layer by layer. (2) Backward Phase - Mirroring backpropagation, we refine both global and local collaboration through iterative feedback, allowing agents to self-evolve their roles, prompts, and coordination. This neuro-symbolic approach enables our framework to create new or specialized agent teams post-training, delivering notable gains in accuracy and adaptability. Across seven benchmark datasets, our work surpasses leading multi-agent baselines under the same configurations, showing consistent performance improvements.

08.
arXiv (CS.CL) 2026-06-11

uva-irlab-conv at SemEval-2026 Task 8: Multi-Turn RAG with Learned Sparse Retrieval and Listwise Reranking

This report describes our participation in SemEval-2026 Task 8 on multi-turn retrieval and question answering. The task evaluates conversational systems across four domains (finance, cloud documentation, government, Wikipedia), and includes unanswerable queries where the available collection does not contain sufficient evidence to produce a complete response. We propose a multi-turn retrieval-augmented generation pipeline that combines learned sparse retrieval with LLM-based reranking and generation. Using sparse retrieval as the primary retrieval method, we leverage its strong generalization across domains. In addition, we make use of the long-context capabilities of LLMs for conversational query rewriting, pointwise and listwise reranking, and generating the final response, each conditioned on the full conversational history. This multi-step design enables effective integration of conversational context throughout retrieval and generation, improving robustness across domains.

09.
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.

10.
arXiv (CS.AI) 2026-06-17

Detecting and Mitigating DDoS Attacks with AI: A Survey

arXiv:2503.17867v3 Announce Type: replace-cross Abstract: Distributed Denial of Service attacks represent an active cybersecurity research problem. Recent research shifted from static rule-based defenses towards AI-based detection and mitigation. This comprehensive survey covers several key topics. Preeminently, state-of-the-art AI detection methods are discussed. An in-depth taxonomy based on manual expert hierarchies and an AI-generated dendrogram are provided, thus settling DDoS categorization ambiguities. An important discussion on available datasets follows, covering data format options and their role in training AI detection methods together with adversarial training and examples augmentation. Beyond detection, AI based mitigation techniques are surveyed as well. Finally, multiple open research directions are proposed.

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

Conditionally Poissonian random digraphs

arXiv:1705.03801v2 Announce Type: replace Abstract: We define a Poissonian model of directed random graphs which generalises the undirected Poissonian random graph process introduced by Norros and Reittu in Adv. Appl. Probab. 38 (2006), 59–75. Its loopless simple projection is a rank-one independent-arc inhomogeneous digraph of the type studied by Cao and Olvera-Cravioto, Random Struct. Alg. 56 (2020), 722–774. For the Poissonian multigraph itself, we discuss the relation to Norros-Reittu graphs, characterise limiting degree distributions, and record explicit exploration estimates. In particular, we give fixed-depth directed local weak limits, stopped branching-process couplings with weight-mass collision budgets, a comparison with the simple projection, and a rare-event concentration criterion. These estimates are intended as graph-side structural inputs for later dynamics on the graph.

12.
arXiv (CS.LG) 2026-06-17

Price of metric universality in vector quantization is at most 0.11 bit

arXiv:2602.05790v2 Announce Type: replace-cross Abstract: Fast computation of a matrix product $W^\top X$ is a workhorse of modern LLMs. To make their deployment more efficient, a popular approach is that of using a low-precision approximation $\widehat W$ in place of true $W$ (``weight-only quantization''). Information theory demonstrates that an optimal algorithm for reducing precision of $W$ depends on the (second order) statistics of $X$ and requires a careful alignment of vector quantization codebook with PCA directions of $X$ (a process known as ``waterfilling allocation''). Dependence of the codebook on statistics of $X$, however, is highly impractical. This paper proves that there exist a universal codebook that is simultaneously near-optimal for all possible statistics of $X$, in the sense of being at least as good as an $X$-adapted waterfilling codebook with rate reduced by 0.11 bit per dimension in the case when $W$ is Gaussian. Such universal codebook would be an ideal candidate for the low-precision storage format, a topic of active modern research, but alas the existence proof is non-constructive. Equivalently, our result shows existence of a net in $\mathbb{R}^n$ that is a nearly-optimal covering of a sphere simultaneously with respect to all Hilbert norms.

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

Real-Time Voice AI Hears but Does Not Listen

Speech conveys information through both words and vocal delivery. We evaluate four leading production realtime voice systems-OpenAI's GPT Realtime 2, Google's Gemini 3.1 Flash Live, and Alibaba's Qwen3.5 Omni Plus and Omni Flash-on tasks where the words and the delivery patterns both convey meaningful information. Across three consequential scenarios, all four systems act on the words rather than the voice. They end calls with crying callers who insist nothing is wrong, approve wire transfers authorized in frightened voices, and enroll callers whose agreement is clearly sarcastic. Surprisingly, this is often not a failure of perception. When asked directly, three of the four systems reliably identify the distress, fear, or sarcasm they later ignore when making decisions. We observe a similar pattern when these realtime voice systems estimate accent and age, as their responses frequently follow the biases of the words rather than the acoustic properties of the speaker. We term this disconnect between perception and action the emotional intelligence gap of voice AI. Prompting systems to explicitly attend to vocal delivery improves performance only partially and inconsistently. Our findings show that current realtime voice AI systems often behave as if speech had been reduced to a transcript, suggesting that they should be used with caution in settings where the tone and emotion of delivery convey important information.

14.
arXiv (CS.LG) 2026-06-11

Adjoint Method versus Physics-Informed Neural Networks in PDE-Constrained Inverse Problems

arXiv:2606.12337v1 Announce Type: cross Abstract: Inverse problems governed by partial differential equations (PDEs) are central to computational mechanics and are commonly solved by adjoint-based optimization, while physics-informed neural networks (PINNs) have emerged as a flexible alternative. Their relative performance remains difficult to assess because the two approaches are often compared under different formulations, parameterizations, optimizers, and regularization choices. We present a fair comparison of adjoint optimization and PINNs for PDE-constrained inverse problems. From a common abstract formulation, we instantiate both methods on identical domains, governing equations, observation models, and regularization terms, while matching the optimizer, unknown parameterization, and arithmetic precision wherever applicable. The benchmarks include unsteady Burgers, noisy Darcy permeability inversion, three-dimensional Allen–Cahn reaction identification, and unsteady Navier–Stokes viscosity identification. The results show that the representation of the unknown largely determines the preferred method: grid-based fields favor the discrete adjoint, whereas neural representations are native to PINNs and relevant for closure and constitutive modeling. For time-dependent problems, adjoint inversion can be dominated by trajectory storage and differentiation, while PINNs provide satisfactory reconstructions at lower cost. A PINN-warm-started adjoint strategy then recovers adjoint-level accuracy at substantially reduced cost.

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

Loss Landscape Poisoning: Targeted Extraction of Unseen Training Data from LLMs

arXiv:2606.17110v1 Announce Type: cross Abstract: Large Language Models are increasingly trained on proprietary or sensitive data, from private healthcare and financial records to user conversations containing secrets. Ensuring the privacy of such data against extraction attacks has become a central concern. In this paper, we ask whether an attacker who can poison a portion of the training data can facilitate the leakage of a separate target record they have no access to. We answer in the affirmative and show that such leakage can be induced by a poisoning mechanism that reshapes the model's local loss landscape around the target completion. Our key insight is that poisoning to create a sharp loss minimum at the target, surrounded by elevated loss on nearby alternatives, forces the model to memorize the target as the unique low-loss solution in its neighborhood. The attack requires no architectural changes, and generalizes across centralized and federated learning settings. We demonstrate that the attack amplifies privacy leakage across language (up to 100% successful extraction), and vision-language models (up 90% successful extraction). We show that the attack is thwarted when the model is trained to be differentially private. However, we introduce a new attack that directly probes the loss landscape bypassing even differential privacy defenses.

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

Can AI Reason Like an Urban Planner? Benchmarking Large Language Models Against Professional Judgment

Problem, Research Strategy, and Findings: The rise of large language models (LLMs) raises a key question for urban planning: which forms of professional planning knowledge can AI replicate, and which still require human judgment? Although AI tools are increasingly used in planning practice, there is still no systematic framework for testing whether they can reason with the contextual sensitivity, value awareness, and institutional literacy central to planning expertise. This paper introduces Urban Planning Bench (UPBench), a domain-specific evaluation framework that assesses LLM reasoning through a 4x5 matrix of four knowledge pillars and five cognitive levels adapted from Bloom's revised taxonomy. Evaluating 25 LLMs with automated scoring and expert review, we find a non-monotonic cognitive curve: models perform better on higher-order analytical tasks than on factual recall and integrative judgment. This suggests that planning knowledge often treated as lower-order is deeply shaped by institutional, jurisdictional, and temporal context, making it hard for LLMs to generalize. We summarize these limits as four epistemic diagnostics: regulatory hallucination, conceptual conflation, wickedness paralysis, and phronetic deficit. Takeaway for Practice: The findings support differential delegation in planning. LLMs can assist with cross-disciplinary synthesis, literature review, scenario generation, and preliminary policy analysis. However, they remain unreliable for jurisdiction-specific regulation, normative conflict resolution, and context-sensitive procedure. Agencies should require verification for AI-assisted regulatory analysis, while planning education should emphasize institutional literacy, normative judgment, and contextual sensitivity.

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

Spin correlations, low-energy scales, and anisotropy scaling in kagome frustrated magnets

arXiv:2606.12512v1 Announce Type: cross Abstract: Neutron scattering is central to identifying quantum states of magnetic materials. In the search for quantum spin liquids, broad spectral features of inelastic spectra have been cited as evidence for spinon excitations, but can also arise from magnon excitations excitations in the presence of quenched disorder and strong magnon interactions. We develop a new approach to this problem, based on the adiabatic continuity in the $XXZ$ Heisenberg model on geometrically frustrating (GF) lattices as a function of the model's anisotropy. Using this approach, we identify universal features and energies of finite-temperature spin correlators. Focusing on the kagome lattice, we show that the low-energy spin spectral function contains robust, momentum-independent peaks with frequencies: $\omega_1 \approx 3.4 T^*$ and $\omega_2 \approx 6.3 T^*$, where the ``hidden energy scale'' $T^*$ is the characteristic scale of a low-temperature peak in the heat capacity, at which many GF magnets also display spin-glass freezing. We show that the spectral features at low energies $\omega\lesssim T^*$ arise from single-magnon scattering and identify the magnetizations of the respective excitations. We explore the evolution of the spectral features with temperature and discuss extensions to other GF lattices. Our results provide a sharp spectroscopic criterion for interpreting neutron scattering in kagome and other GF quantum magnets.

18.
arXiv (CS.AI) 2026-06-12

Hellinger Multimodal Variational Autoencoders

arXiv:2601.06572v4 Announce Type: replace-cross Abstract: Multimodal variational autoencoders (VAEs) are widely used for weakly supervised generative learning with multiple modalities. Predominant methods aggregate unimodal inference distributions using either a product of experts (PoE), a mixture of experts (MoE), or their combinations to approximate the joint posterior. In this work, we revisit multimodal inference through the lens of probabilistic opinion pooling, an optimization-based approach. We start from Hölder pooling with $\alpha=0.5$, which corresponds to the unique symmetric member of the $\alpha-divergence$ family, and derive a moment-matching approximation, termed Hellinger. We then leverage such an approximation to propose HELVAE, a multimodal VAE that avoids sub-sampling, yielding an efficient yet effective model that: (i) learns more expressive latent representations as additional modalities are observed; and (ii) empirically achieves better trade-offs between generative coherence and quality, outperforming state-of-the-art multimodal VAE models.

19.
arXiv (CS.CL) 2026-06-25

Small edits, large models: How Wikipedia advocacy shapes LLM values

Can a small group of volunteers shape how AI systems discuss animal welfare, just by editing Wikipedia? We show that they can. Wikipedia appears in nearly every major language model training dataset and is weighted more heavily than web-crawled text. The Pro-Animal Wikipedians (PAW), a group of advocates who add sourced animal welfare content to relevant articles, have made 125 edits across 115 pages. Using gradient-based data attribution (Bergson; MAGIC), we traced how these edits influence language model behavior. TrackStar retrieval attribution on Llama 3.1 8B found that PAW-edited sections made up 68 percent of the highest-attributed documents for animal welfare queries (p < 0.0001) but only 52 percent for unrelated queries about the same companies (p = 0.53): the model links PAW content specifically to animal welfare topics, not to the entities in general. MAGIC counterfactual influence estimation on Llama-3.2-1B, run across five random training-order seeds, gave the same picture even more sharply: in every seed, the top-10 most influential documents on animal welfare queries were all PAW edits (10 of 10, 5 of 5 seeds), while on general queries the same top-10 sat at chance (4 to 6 of 10). Mean PAW influence exceeded mean control influence on animal welfare queries with p < 0.0001 in every seed, an effect 6 to 30 times larger than on general queries. Leave-subset-out validation gave Spearman rho = 1.00 for all 10 runs. When we fine-tuned separate models on PAW content versus control content, each model performed better specifically on the type of text it was trained on: the PAW-trained model cut perplexity on animal welfare text from 12.4 to 8.4, while the control-trained model cut perplexity on control text from 16.1 to 11.4. A small, coordinated Wikipedia editing campaign therefore measurably shapes how language models handle the topics those edits address.

20.
arXiv (CS.CV) 2026-06-25

Contrastive Conditional-Unconditional Alignment for Long-tailed Diffusion Model

Training data for class-conditional image synthesis often exhibit a long-tailed distribution with limited amount of images for tail classes. Such an imbalance causes mode collapse and reduces the diversity of synthesized images for tail classes. For class-conditional diffusion models trained with imbalanced data, we aim to improve the diversity and fidelity of tail class images without compromising the quality of head class images. We propose contrastive conditional-unconditional alignment (CCUA), which comprises two synergistic loss functions. Our first loss is an Alignment Loss (AL) that aligns class-conditional generation with unconditional generation at large timesteps. Alignment loss makes the denoising process insensitive to class conditions for the initial steps, which enriches tail classes through knowledge sharing from head classes. Secondly, we diversify unconditional generation via an Unsupervised Contrastive Loss (UCL) to increase the distance/dissimilarity among synthetic images. We combine the two losses to implicitly diversify conditional generation. Our framework is easy to implement as demonstrated on both U-Net based architecture and Diffusion Transformer. Our method outperforms vanilla denoising diffusion probabilistic models, score-based diffusion model, and alternative contrastive methods for class-imbalanced image generation across various datasets, in particular ImageNet-LT with 256$\times$256 resolution.

21.
arXiv (CS.LG) 2026-06-16

Learning Topological Representations for Molecular Dynamics

arXiv:2606.14737v1 Announce Type: cross Abstract: Molecular dynamics (MD) simulations generate trajectories in a high-dimensional configuration space whose analysis critically depends on molecular descriptors, typically handcrafted observables or learned kinetic embeddings. Designing descriptors that are both expressive and broadly applicable, however, remains challenging. We study persistent homology (PH) as a general-purpose representation for MD and introduce the masked Flood complex, a protein-tailored modification of a recently introduced simplicial complex construction that emphasizes inter-residue structure at low computational cost. Vectorized persistence diagrams then provide information-rich, geometry-aware summaries of protein conformations, which we evaluate on protein class prediction, frame-level observable regression, and Markov state model (MSM) estimation from learned low-dimensional coordinates in a single shared representation space. Results on the mdCATH dataset show that PH-based descriptors are competitive across tasks, with masked Flood PH yielding the most consistent overall performance. Further, when using topologically-informed MSMs as a drop-in replacement within the recent MarS-FM framework for generative modeling of protein conformations, we obtain consistently better ensemble statistics than MSMs based on physical observables. Finally, we explore the transferability of the generative model to qualitatively different, fast folding, proteins.

22.
arXiv (quant-ph) 2026-06-25

Preparing two-mode magnonic Schrödinger cat states in a cavity-magnon-qubit system

arXiv:2606.25511v1 Announce Type: new Abstract: The cavity-magnon-qubit system has recently been demonstrated as a new platform for preparing macroscopic quantum states in magnonic systems. Here, we propose to prepare a two-mode magnonic cat state, which is also a non-Gaussian entangled state, based on this practical system involving two yttrium-iron-garnet (YIG) spheres and a superconducting qubit coupled to a common microwave cavity. By adiabatically eliminating the cavity and resonantly driving the qubit, an effective magnon-qubit conditional-displacement interaction is achieved. Further working in the magnon-magnon strong-coupling regime and considering two identical magnon frequencies and coupling strengths to the cavity, two hybridized magnon modes are formed, of which the bright mode is prepared in a cat state after a projective measurement on the qubit, while the dark mode remains in its initial vacuum state. Such a state corresponds to a two-mode cat state of two original magnon modes, which share strong non-Gaussian entanglement. We also discuss practical dissipation and dephasing effects on the cat state. The results indicate that strong nonclassicality and non-Gaussian entanglement are present in the two-mode cat state using fully feasible parameters.

23.
arXiv (CS.LG) 2026-06-17

NoiseTilt: Noise-Tilted Reverse Kernels for Diffusion Reward Alignment

arXiv:2606.18066v1 Announce Type: new Abstract: We introduce the Noise-Tilted Reverse Kernel (NTRK), a reward-guided diffusion sampler that injects reward gradients through the noise term, leaving the pretrained reverse kernel unchanged and requiring only a single sample per step. Reward-guided sampling at inference time has greatly expanded the versatility of pretrained diffusion models. Yet existing methods face a trade-off. Gradient-based guidance shifts the reverse mean, steering generation but pushing intermediate states outside the region that the model was trained on and degrading quality. Search-based methods preserve quality but gain no gradient signal. No prior method achieves both. NTRK resolves this by keeping the reverse mean fixed and biasing the noise term toward high reward. We introduce a whitening operator, the central mechanism behind NTRK, that makes the reward gradient safe to inject as noise without losing its guiding signal. Across various reward alignment tasks, NTRK outperforms recent state-of-the-art baselines without losing sample quality. Remarkably, on aesthetic generation, NTRK surpasses the reward of the best baseline at 500 NFEs using only 25 NFEs, a 20$\times$ reduction in compute.

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

SENTINEL: Failure-Driven Reinforcement Learning for Training Tool-Using Language Model Agents

Language model agents are increasingly effective in solving realistic tasks through multi-turn tool use. However, training reliable tool-using agents remains challenging in practice. While reinforcement learning provides an on-policy paradigm for improving agents from their own environment interactions, its effectiveness depends heavily on the training task distribution. When tasks are fixed before training, the task distribution can become increasingly mismatched with the policy's evolving capabilities, causing many rollouts to be spent on uninformative tasks. We propose SENTINEL, a failure-driven reinforcement learning framework that turns the Solver's rollout failures into targeted training tasks. SENTINEL follows a Controller–Proposer–Solver loop: the Controller analyzes failed trajectories and summarizes recurring error patterns, the Proposer generates executable tasks that stress these weaknesses, and the Solver is trained on the targeted tasks. On Tau2-Bench Retail with Qwen3-4B-Thinking-2507, SENTINEL improves Pass\^{}1 from 66.4 to 74.9 and outperforms RL on general synthetic tasks across Pass\^{}k metrics. These results demonstrate that model failures provide an effective and scalable source of targeted training signal for improving tool-using language model agents.

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

Generating Input Distributions for Explaining Portfolio Optimization Pipelines

arXiv:2606.25808v1 Announce Type: cross Abstract: We propose a predict-optimize-explain framework that uses gradient-based sample generation to interpret various portfolio models by identifying macroeconomic conditions that induce specified portfolio outcomes. Unlike traditional feature-importance methods, this approach directly probes decision pipelines (predictive models coupled with portfolio optimization) by constructing economically meaningful what-if questions. We focus on four such questions: under what macroeconomic conditions a predict-then-optimize pipeline closes or reverses its return gap with a predict-and-optimize pipeline; what conditions lead a pipeline to diversify rather than concentrate its allocation; when a pipeline trained on calm markets overtakes one trained through crises; and what conditions would let a pipeline match a benchmark return. These examples illustrate how our framework uncovers key behavioral differences between various decision pipelines. Beyond these cases, the proposed framework is flexible and can support a wide range of probing questions tailored to specific portfolio objectives. Our findings highlight the value of integrating prediction, optimization, and explanation to produce more robust and transparent portfolio strategies.