Ten simple rules for teaching data science
by Tiffany A. Timbers, Mine Çetinkaya-Rundel
Academic Intelligence · Curated Daily
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by Tiffany A. Timbers, Mine Çetinkaya-Rundel
This paper proposes a novel loss concept for supervised classification tasks. Rather than enforcing a direct mapping from each input sample to a single assigned label, we define an optimization objective over all classifier outputs as a bimodal Gaussian distribution. This softer target formulation implicitly captures class ambiguity, mitigates overfitting, and encourages the learning of more robust decision boundaries, all without requiring additional label information. Experimental results demonstrate consistent improvements in robustness, with particularly pronounced gains in low-data regimes, while requiring only minimal modifications to standard training pipelines.
Camera-trap monitoring in African tropical forests increasingly extends beyond closed-canopy interiors to riverbanks, clearings, and park edges. Among available open tools for African forest camera-trap classification, DeepForestVision is the only one providing a matched offline workflow for both photographs and videos, and previous work showed that it outperformed other available baselines on a comparable benchmark. However, it was designed for closed-canopy, ground-level forest interiors and uses a 35-class prediction space that becomes too coarse when deployments encounter arboreal primates, birds, semi-aquatic taxa, or human-associated confounders such as livestock. We present DeepForestVisionV2, an ecology-driven expansion from 35 to 64 prediction classes (61 animal classes plus human, vehicle, and blank) designed to address three recurrent deployment gradients: vertical stratification, scene openness, and anthropogenic interfaces. DeepForestVisionV2 retains the same offline workflow and is trained on 1,535,010 photographs and 243,354 videos from multi-country African tropical-forest projects. Evaluation combines a cross-country cropped-photo validation set, used to assess robustness across sites and camera-trap settings, with three held-out Uganda video benchmarks spanning the targeted gradients. On the validation set, DeepForestVisionV2 reaches 0.86 accuracy, 0.82 macro-F1, and 0.81 balanced accuracy. On the deployment benchmarks, it preserves or improves baseline accuracy despite its harder classification task, while increasing the number of identified taxa from 22 to 29 in forest-interior videos and from 4 to 9 at riverbanks. In the park-edge use case, it raises accuracy from 0.62 to 0.86 and reduces false alarms from 11 to 0. These results show that DeepForestVisionV2 materially improves field utility while preserving robustness across sites, habitats, and camera-trap settings.
arXiv:2602.21433v2 Announce Type: replace-cross Abstract: A quantum-mechanical description is presented for the three-body physics of shielded dipolar molecules, including a prediction of observable Efimov physics. Despite the anisotropic and long-range nature of the interaction, shielding enables a regime in which universality emerges already at the two-body level and extends to the three-body sector, where Efimov physics emerges. On the negative side of the scattering-length resonance, computed trimer binding energies display the characteristic scaling expected for Efimov resonances. Finally, the sudden approximation can be used to create trimer bound states, starting from positive energy trap states as a way to create or detect these molecular trimers. Moreover, the three-body parameter expressed in dipolar units is found to be universal.
arXiv:2606.12338v1 Announce Type: cross Abstract: We consider a movable conducting plate of finite mass, between two fixed ones, whose mechanical degrees of freedom are treated quantum-mechanically and bound to its equilibrium position by a harmonic potential. The movable wall is thus subjected to quantum fluctuations of its position. This creates a system of two sub-cavities separated by the movable fluctuating plate, and two massless one-dimensional scalar fields, one in each sub-cavity. This system is described by an appropriate generalization of the Law Hamiltonian. The presence of the movable wall yields an effective plate-fields interaction, as well as an effective interaction between the field modes. We obtain, at the second order in perturbation theory, the ground state of the interacting system and the reduced density operator of the fields in each sub-cavity by tracing out the wall's degrees of freedom. We calculate the entanglement between two field modes, one in each cavity, by evaluating analytically the negativity; we then evaluate numerically also the total multimode negativity. Our results show that in both cases the fields in the two sub-cavities are entangled, in contrast to the case in which the wall is fixed in space. We discuss the amount of the field entanglement present as a function of relevant physical parameters of the system such as the mass and oscillation frequency of the movable wall, its distance from the fixed walls and the frequencies of the field modes considered.
arXiv:2601.09304v2 Announce Type: replace Abstract: Federated Learning (FL) enables distributed learning across multiple clients without sharing raw data. When statistical heterogeneity across clients is severe, Clustered Federated Learning (CFL) can im-prove performance by grouping similar clients and training cluster-wise models. However, most CFL approaches rely on multiple communication rounds for cluster estimation and model updates, which limits their practicality under tight constraints on communication rounds. We propose Data Collaboration-based Clustered Federated Learning (DC-CFL), a single-round framework that completes both client clustering and cluster-wise learning, using only the information shared in DC analysis. DC-CFL quantifies inter-client similarity via total variation distance between label distributions, estimates clusters using hierarchical clustering, and performs cluster-wise learning via DC analysis. Experiments on multiple open datasets under representative non-IID conditions show that DC-CFL achieves accuracy comparable to multi-round baselines while requiring only one communication round. These results indicate that DC-CFL is a practical alternative for collaborative AI model development when multiple communication rounds are impractical. Our source code is publicly available at https://github.com/souta-suga/DC-CFL.
Existing real-world datasets for multimodal fact-checking have multiple limitations: they contain few instances, cover on only one or two languages, focus only on one task, or rely on external news article sets for sourcing true claims. To address these shortcomings, we introduce M4FC, a new real-world dataset comprising 4,982 images paired with 6,980 claims. The images, verified by professional fact-checkers from 22 organizations, represent a diverse range of cultural and geographic contexts. Each claim is available in one or two out of ten languages. M4FC spans six multimodal fact-checking tasks: visual claim extraction, claimant intent prediction, fake image detection, image contextualization, location verification, and verdict prediction. We provide baseline results for all tasks and analyze how combining intermediate tasks affects verdict prediction performance. We make our dataset and code publicly available.
Post-training of reasoning language models is commonly driven by supervised distillation and reinforcement learning with verifiable rewards. Distillation often relies on chain-of-thought annotations that are expensive to obtain and may themselves be noisy, incomplete, or partially incorrect; even when the final solution is correct, an imperfect rationale can interfere with learning. Reinforcement learning with verified rewards, on the other hand, typically compresses evaluative feedback into a scalar signal, obscuring which aspects of a response should be improved. We propose Rubric-Conditioned Self-Distillation, a framework that incorporates rubrics as structured, fine-grained feedback for on-policy self-distillation. Our method conditions the teacher model on criterion-level rubrics and uses it to provide token-level guidance on the student's own sampled trajectories. This design avoids treating a single reference rationale as the sole supervision target. Instead, rubrics specify what a strong response should satisfy, enabling more fine-grained credit assignment over the reasoning process than scalar reward optimization. We instantiate this framework with a two-stage pipeline that first learns to generate task-specific rubrics and then trains a rubric-guided reasoner. We evaluate on a diverse suite of science reasoning benchmarks and results show that rubric-conditioned self-distillation effectively converts rubric-level criteria into token-level guidance over the reasoning process, surpassing GRPO by 1.0 points and OPSD by 0.9 points on average.
Identifying recently linked infections from pathogen genome sequences is central to infectious disease surveillance, yet many clustering approaches rely on fixed genetic distance thresholds whose relationship to transmission is often unclear. This limitation is especially important in rapidly growing outbreaks and superspreading events, where many cases may be sampled close together in time and share little genetic variation, making true transmission links difficult to distinguish from other closely related infections. Supervised models can improve discrimination, but they require labelled transmission data that are rarely available during outbreak response. We developed EpiLink, a threshold-free method that estimates whether two cases are compatible with recent transmission. Here, compatibility means how well the observed genetic distance and sampling-time difference between two cases fit what would be expected if they were linked by defined recent transmission scenarios. EpiLink simulates plausible recent transmission histories while accounting for uncertainty in infection timing, testing delay, and mutation accumulation, then assigns higher scores to pairs whose observed differences are typical of those simulations. EpiLink was evaluated using both synthetic and empirical SARS-CoV-2 outbreak data from the 2020 Boston epidemic. Two EpiLink variants were compared to a logistic regression model trained on labelled transmission data. One EpiLink variant assumed deterministic mutation accumulation, with genetic differences proportional to elapsed evolutionary time; the other accounted for stochasticity by sampling mutation counts from a Poisson distribution. The logistic regression model performed better at distinguishing linked from unlinked pairs, but EpiLink achieved comparable clustering accuracy. In the Boston data, EpiLink recovered clusters enriched for documented conference and skilled nursing facility outbreaks. EpiLink thus provides an interpretable, simulation-based approach for identifying recent transmission clusters when fixed thresholds are difficult to justify and labelled transmission data are unavailable.
arXiv:2606.16933v1 Announce Type: cross Abstract: Reinforcement learning (RL) systems often degrade when operating conditions differ from those previously encountered, reflecting distributional shifts in the underlying data-generating process. Such shifts may occur between training and evaluation, as in In-Distribution (ID) and Out-of-Distribution (OOD) generalization, or within non-stationary settings where environment dynamics evolve over time. However, the formal relationship between these views remains unclear, and existing work mainly focuses on mitigation rather than the causal origin of shift within the agent-environment interaction. This work develops a unified causal-origin taxonomy that characterizes sources of distributional shift in RL and relates ID/OOD generalization to non-stationary settings. We transfer the classical dataset-shift principle from supervised learning to RL by reformulating distributional shift in terms of the generative interaction process. Using a Partially Observable Markov Decision Process (POMDP), we decompose the interaction into structural components, including the state distribution, observation process, policy, reward, and transition dynamics, together with the shifted-time boundary. The proposed taxonomy distinguishes internal, agent-driven, and external, environment-driven, distributional shifts. The shifted-time boundary perspective further characterizes explicit, implicit, and hybrid shifts. This formulation unifies ID/OOD generalization and non-stationarity as structured changes in the underlying process. We also introduce an evaluation framework for measuring shift impact and adaptation through performance degradation and recovery metrics. By grounding distributional shift in the causal-origin structure of RL, this work supports systematic analysis of robustness under distributional shift.
arXiv:2606.20554v1 Announce Type: cross Abstract: Generative recommendation is an emerging paradigm that has shown promise in industrial recommendation systems, aiming to predict users' next interactions from their historical behaviors. At the core of generative recommendation lies item tokenization, which bridges item semantics and recommendation models. However, existing methods often struggle to effectively organize and inject complex user-behavioral and item-semantic contexts into recommendation models simultaneously. On the one hand, existing graph-based integration methods, such as graph serialization and graph neural networks, either suffer from scalability issues or exploit only local graph information. On the other hand, existing semantic tokenization methods typically rely on heuristics and lack explicit supervision signals, which may lead to inaccurate or suboptimal semantic representations. To address these limitations in user interest context modeling, we propose G2Rec, a scalable framework that unifies holistic graph-based user co-engagement modeling with semantic tokenization for industrial-scale generative recommendation. Overall, G2Rec enables recommendation models to capture holistic and semantically grounded user interest prototypes without requiring ground-truth user interests, thereby providing more comprehensive and accurate modeling of user behavior contexts in industrial sequential recommendation. Online deployment across product surfaces and extensive experiments on public datasets demonstrate the superiority of G2Rec over existing methods.
We present an LLM-driven framework for retrieving remote sensing data from cloud-based geospatial catalogues using natural language queries. The system converts user intent into structured API calls, enabling efficient access to satellite imagery and environmental datasets. The architecture integrates three agents: Guardrail for safety and policy enforcement, General-QA for intent interpretation, and Recommender-Analyst for schema-aware API call generation. This coordinated design ensures reliable, semantically aligned interaction with external data services. The modular framework is portable across platforms through API schema substitution and supports applications in environmental monitoring, disaster response, and climate analysis. It establishes a scalable interface between user intent and geospatial infrastructure, enabling streamlined and automated Earth observation workflows. Preliminary experiments under adversarial multi-turn settings show that prompt-level safety instructions improve robustness, although rare high-impact failures persist in API manipulation scenarios and highlight the need for adaptive, system-level defenses that balance safety, usability, and cost efficiency, which motivates the use of our intercept-level Guardrail agent.
Introduction. Diabetes is a growing global health challenge, necessitating effective management strategies. Glycosylation, a highly regulated post-translational protein modification, has emerged as a pivotal factor in diabetes pathophysiology. However, the modulation of protein glycosylation by antidiabetic treatment is still largely unknown. This study explored the longitudinal effects of four distinct antidiabetic therapies - metformin, insulin, sodium-glucose cotransporter-2 (SGLT2) inhibitors, and glucagon-like peptide-1 receptor agonists (GLP-1RA) - on plasma protein and immunoglobulin G (IgG) glycosylation in patients with type 2 diabetes (T2D). Research Design and Methods. Plasma protein and IgG N-glycans were enzymatically released, purified and chromatographically profiled in a cohort of 124 patients, examined at four time points, to assess therapy-induced glycan alterations. Linear mixed models adjusting for covariates and multiple testing (FDR
arXiv:2606.15458v1 Announce Type: cross Abstract: Variational inference (VI) is a core engine of modern AI, enabling scalable approximate Bayesian learning and uncertainty-aware training of large probabilistic and generative models. In this paper, we propose Structured Nonparametric Variational Inference (SN-VI), a novel framework for modeling complex dependencies among latent variables in posterior approximation, leveraging multivariate spline techniques. Unlike traditional methods that rely on the mean-field assumption, SN-VI preserves intricate latent variable dependencies, providing a flexible and accurate approximation of posteriors with arbitrary shapes. We establish rigorous theoretical guarantees, including the derivation of the lower bound for the variational objective and proof of asymptotic consistency in posterior estimation. To facilitate practical implementation, we develop an algorithm that automatically identifies dependent latent variables and their underlying dependence structure, without requiring manual specification. Simulation studies validate the effectiveness of SN-VI in approximating posterior distributions with bounded support and complex dependencies. The proposed method has been successfully applied to high-dimensional structured data, including computer vision datasets and spatial transcriptomics. In these applications, SN-VI demonstrates improved generative model performance and effectively uncovers coupled biological signals through the learned dependency structure.
arXiv:2606.13451v1 Announce Type: new Abstract: Diffusion models have seen wide adoption for 3D molecular generation, yet they offer no principled signal of when a generated molecule is likely to be of low quality. We propose a post-hoc method for estimating per-sample uncertainty in pretrained molecular diffusion models. Building on a Laplace approximation of the denoising network, we measure the variability of the noise prediction across the generation trajectory. Empirically, we show that the resulting uncertainty score is informative of sample quality, exhibiting a negative correlation with established sample-level quality metrics. We further study how the proposed uncertainty score can be used to filter generated samples, improving model performance via test-time scaling.
arXiv:2602.06257v2 Announce Type: replace Abstract: Online strategic classification studies settings in which agents strategically modify their features to obtain favorable predictions. For example, given a classifier that determines loan approval based on credit scores, applicants may open or close credit cards and bank accounts to obtain a positive prediction. The learning goal is to achieve low mistake or regret bounds despite such behavior. While randomized algorithms have the potential to offer advantages to the learner in strategic settings, they have been largely underexplored. In the realizable setting, no lower bound is known for randomized algorithms, and existing lower bound constructions for deterministic learners can be circumvented by randomization. In the agnostic setting, the best known regret upper bound is $O(T^{3/4}\log^{1/4}T|\mathcal H|)$, which is far from the standard online learning rate of $O(\sqrt{T\log|\mathcal H|})$. In this work, we provide refined bounds for online strategic classification in both settings; our bounds depend on the Littlestone dimension $\mathrm{Ldim}(\mathcal H)$ of the hypothesis class $\mathcal H$ and the maximum degree $\Delta$ of the manipulation graph. In the realizable setting, we extend, for $T > \mathrm{Ldim}(\mathcal H) \Delta^2$, the existing lower bound $\Omega(\mathrm{Ldim}(\mathcal H) \Delta)$ for deterministic learners to all learners. This yields the first lower bound that applies to randomized learners. We then provide the first randomized learner that improves the known (deterministic) upper bound of $O(\mathrm{Ldim}(\mathcal H) \cdot \Delta \log \Delta)$. In the agnostic setting, we give an improper randomized learner that improves the regret upper bound to $O(\sqrt{T\log|\mathcal H|})$, matching the standard online learning rate. We also show a larger lower bound for all proper learning rules, demonstrating that improperness is necessary to achieve the optimal rate.
Summary: Nanopore direct RNA sequencing (DRS) enables simultaneous quantification of transcript abundance and RNA modifications from native RNA molecules, providing a unique opportunity to study transcriptional and epitranscriptomic regulation within a single experiment. However, comprehensive analysis of DRS data remains challenging, as existing workflows typically focus on individual processing steps and often require manual integration of multiple software packages for expression analysis, modification detection, statistical testing, and visualization. Furthermore, integrated differential expression and differential RNA modification analysis at both gene and isoform resolution remains poorly supported by current workflows. Here, we present DModE (Differential Modification and Expression Analysis), an end-to-end framework for integrated analysis of Nanopore DRS data. DModE combines an Epi2ME-compatible Nextflow preprocessing workflow with a dedicated Python package for downstream statistical analysis, visualization, and reporting. The framework supports differential gene and isoform expression analysis, differential RNA modification analysis at genome and transcript level, metagene profiling, exploratory epitranscriptomic analyses, and integrated assessment of relationships between expression and modification dynamics. Results are automatically summarized in interactive HTML reports, facilitating reproducible and accessible data interpretation. By integrating transcriptomic and epitranscriptomic analyses within a single framework, DModE substantially simplifies comprehensive DRS data analysis and lowers the barrier for studying RNA modification biology using Nanopore sequencing.
arXiv:2606.13552v1 Announce Type: new Abstract: Measurements can be used to monitor the evolution of quantum systems and may lead to a universally quantized time statistics. It is known that the mean return time is quantized for strong and indirect monitoring through the winding number of the return amplitude in a one-dimensional space. Here we discuss that under multi-channel strong or indirect monitoring, where the latter is achieved through ancilla coupling, the mean return time of a quantum walk in the projected subspace is also quantized. This reflects a universal time quantization for a higher dimensional evolution.
Directed evolution requires screening of large mutagenesis libraries, but accurate calculation of library sizes needed to discover functional variants remains challenging. Existing models provide baseline estimates, yet current computational approaches for finding the best variants scale poorly with library complexity. Here, we introduce a scalable algorithmic framework to compute exact discovery probabilities in saturation mutagenesis libraries with no requirement for explicit sequence enumeration. By aggregating variants into a composition log–sum distribution and applying log-space convolution across randomisation blocks, it is possible to extend this to massive sequence spaces and mixed codon schemes. By inverting these calculations, absolute mathematical ceilings for experimental design are established. Ultimately, this framework provides a rapid, quantitative tool to balance the statistical coverage-diversity trade-off within the limitations of laboratory screening. Finally, this is implemented as an open-source web application (SSCC) that allows researchers to construct heterogeneous library designs and compute required sampling depths, coverage probabilities, and absolute randomisation limits.
arXiv:2604.05435v2 Announce Type: replace Abstract: Incomplete or inconsistent discharge documentation drives care fragmentation and avoidable readmissions. Despite its critical role in patient safety, auditing discharge summaries relies on manual review and does not scale. We propose an automated framework for auditing discharge summaries using large language models (LLMs). Our approach operationalizes the DISCHARGED framework into a checklist of 46 questions. Using 50 summaries from the MIMIC-IV database, with clinician ground-truth labels, we benchmark 11 LLMs. Model-assessed mean documentation completeness ranges from 54.9% to 74.2%, and the best-performing models achieve a Cohen's kappa values around 0.5 against clinician labels, indicating moderate agreement. All models struggle to identify ambiguous documentation (Unclear), highlighting a key gap in current automated auditing. This work provides a clinician-validated benchmark and zero-shot baselines for systematic quality improvement in clinical documentation.
arXiv:2507.11688v4 Announce Type: replace Abstract: Contemporary large models often exhibit behaviors suggesting the presence of low-level primitives that compose into modules with richer functionality, but these fundamental building blocks remain poorly understood. We investigate this compositional structure in linear layers by asking: can we identify/synthesize linear transformations from a minimal set of geometric primitives? Using Clifford algebra, we show that linear layers can be expressed as compositions of bivectors – geometric objects encoding oriented planes – and introduce a differentiable algorithm that decomposes them into products of rotors. This construction uses only O(log^2 d) parameters, versus O(d^2) required by dense matrices. Applied to the key, query, and value projections in LLM attention layers, our rotor-based layers match the performance of strong baselines such as block-Hadamard and low-rank approximations. Our findings provide an algebraic perspective on how these geometric primitives can compose into higher-level functions within deep models.
Although DINOv3 has demonstrated remarkable semantic discrimination in natural imagery, its direct application to volumetric medical segmentation is hindered by inherent dimension and domain disparities. To resolve these issues, we propose DINO-Med3D, a two-stage progressive framework that repurpose the pre-trained DINOv3 encoder for 3D medical tasks. In the first stage, we mitigate the dimension gap by introducing a multi-slice embedding module that incorporates pseudo-3D context, while simultaneously employing a segmentation proxy task to adapt representations learned from natural scenes to the medical domain. Subsequently, we further enhance volumetric understanding by adding lightweight 3D adapters into the frozen backbone to enforce global inter-slice continuity. Finally, to compensate for the spatial information loss inherent in the embedding process, we design a parallel detail recovery stream to explicitly preserve high-frequency boundary cues. Extensive experiments on five public datasets demonstrate that our approach successfully adapts DINOv3 to the medical domain and significantly outperforms state-of-the-art baselines.
arXiv:2606.16045v1 Announce Type: new Abstract: In the data selection problem, the objective is to choose a small, representative subset of data that can be used to efficiently train a machine learning model. Sener and Savarese [ICLR 2018] showed that, given an embedding representation of the data and suitable geometric assumptions, heuristics based on $k$-center clustering can be used to perform data selection. This perspective was further explored by Axiotis et. al. [ICML 2024], who proposed a data selection approach based on $k$-means clustering and sensitivity sampling. However, these methods rely on the assumption that the dataset exhibits intrinsic geometric structure that can be effectively captured by clustering, whereas many modern datasets instead possess global algebraic structure that is better exploited by low-rank approximation or principal component analysis. In this paper, we introduce a new data selection framework based on low-rank approximation and residual-based sampling, formulated through the lens of row subset selection and loss-preserving coreset construction. Given an embedding representation of the data satisfying mild regularity conditions, which can be interpreted as algebraic or angular notions of Lipschitz continuity, we show that it is possible to select a weighted subset of $\tilde{O}\left(k + \frac{1}{\varepsilon^2}\right)$ data points whose average loss approximates the average loss over the full dataset within a $(1+\varepsilon)$ relative error, up to an additive $\varepsilon \Phi_k$ term, where $\Phi_k$ denotes the optimal rank-$k$ approximation cost of the embedding matrix. We complement these theoretical guarantees with empirical evaluations, demonstrating that on a range of real-world datasets, our data selection approach achieves improved performance over prior strategies based on uniform sampling or clustering-based sensitivity sampling.
For the past several decades, it has been popular to reconstruct Fourier imaging data using model-based approaches that can easily incorporate physical constraints and advanced regularization/machine learning priors. The most common modeling approach is to represent the continuous image as a linear combination of shifted "voxel" basis functions. Although well-studied and widely-deployed, this voxel-based model is associated with longstanding limitations, including high computational costs, slow convergence, and a propensity for artifacts. In this work, we reexamine this model from a fresh perspective, identifying new issues that may have been previously overlooked (including undesirable approximation, wrap-around, and nullspace characteristics). Our insights motivate us to propose a new model that is more resilient to the limitations (old and new) of the previous approach. Specifically, the new model is based on a Fourier-domain basis expansion rather than the standard image-domain voxel-based approach. Illustrative results, which are presented in the context of non-Cartesian MRI reconstruction, demonstrate that the new model enables improved image quality (reduced artifacts) and/or reduced computational complexity (faster computations and improved convergence).
Letter to the Editor