#01Nov 10, 2026
cs.AI
Contrastive Discovery: Open-Ended Scientific Discovery over Competing Explanations
Ziang Liu, James J. Kim, Yijia Dai and 1 more
LLM agents are increasingly used for open-ended, data-driven scientific discovery, yet most of them evaluate hypotheses pointwise, testing an empirical claim $h$ only against its complement $\neg h$. When evidence rejects $h$, the agent learns that one explanation is unlikely but not which alternative the evidence supports. To recover that alternative, we introduce Contrastive Discovery, which replaces the single hypothesis with a contrast set, a scientific question paired with mutually exclusive and collectively exhaustive competing explanations. Each experiment is scored by how its evidence redistributes belief across the set, and the question is resolved when belief concentrates on one explanation. Because contrast sets change only the unit an agent proposes and scores, an existing agent can use them to re-evaluate evidence it has already collected or to guide its search. Across six domains, $89\%$ of the pointwise candidates with the largest belief shifts are rejections. On the same evidence, contrast sets resolve $73\%$ of these candidates to a specific alternative. When contrast sets guide search, the agent resolves $67\%$ more questions than pointwise surprisal under the same experiment budget. In a blinded study, $38$ human experts chose the same explanation on $78\%$ of resolved questions and on $82\%$ of questions where the pointwise agent rejected its hypothesis and stopped. Together, these results support explicit competing explanations as a way for discovery agents to resolve more scientific questions from the same evidence and validation budget.
#02Nov 10, 2026
cs.LG
TorchCurves: Differentiable Parametric Curves
Alex Shtoff
We present TorchCurves, a PyTorch library that treats vector-valued parametric curves as learnable primitives. Its central operation maps batches of scalar inputs to points on curves represented in B-spline or Legendre polynomial bases, with differentiation through both inputs and coefficients. Curve coefficients can be optimized jointly with the surrounding model or produced by another network. The library provides trainable modules, reusable basis modules, and a functional interface, supporting applications ranging from continuous feature embeddings to Kolmogorov-Arnold networks and functional regression. Its implementation combines classical evaluation algorithms with vectorized PyTorch operations, emphasizing readability and maintainability without custom hardware kernels. Timing experiments compare curve evaluation against NumPy and SciPy and KAN training against EfficientKAN across a range of problem sizes. The results illustrate where this generality remains computationally practical and where overhead is substantial. Library is available on GitHub at https://github.com/alexshtf/torchcurves.
#03Nov 10, 2026
cs.CV
Medical Image Segmentation: Foundation Model Adaptation versus Task-Specific Training
Emre Kutlusan, Yongmin Li
Foundation models pretrained on large natural-image collections are increasingly adapted for medical image segmentation, in the expectation that they will replace models trained for each task. Most comparisons, however, use data from the training distribution and a single task-specific baseline whose configuration is rarely justified, and therefore provide limited evidence of performance at new clinical sites. It also remains unclear how much of a foundation model must be adapted, and what determines this. We adapted a foundation model, DINOv2, with strategies ranging from tuning only its bias terms to full fine-tuning, and compared it with U-Nets and ResU-Nets trained from scratch. Experiments covered colonoscopy, breast ultrasound and dermoscopy, with testing on held-out data from the training source and on independent datasets from other institutions. The adapted foundation model generalised better on every external dataset. Within the training distribution, the task-specific models remained competitive when training data were abundant, and delineated boundaries more precisely, while the foundation model more often missed small lesions. Only a small fraction of the foundation model required adaptation, and the capacity needed was determined by the imaging domain rather than by the adaptation method. A widely used polyp test set was also found to duplicate images from another benchmark. Foundation-model adaptation is therefore warranted where models must work across sites, with capacity selected on the target domain.
#04Nov 10, 2026
cs.SD
Exploring Post-Hoc Disentanglement of Audio Foundation Models for Music Similarity
Lucas de Souza Brandão, Gabriel da Costa Merlin, Diego Furtado Silva
Audio foundation models like CLAP, MuQ, and MERT excel at capturing general musical similarity. On the other hand, their entangled latent spaces limit interpretability and fine-grained attribute control. Conditional Similarity Networks (CSN) address this by pairing a backbone representation model with learned masks that gate the embedding space into attribute-specific subspaces. However, existing methods train the backbone from scratch, rather than leveraging pretrained foundation models. We instead present a systematic study of post-hoc disentanglement, adapting CSN to gate frozen pretrained embeddings. We evaluate adding trainable parameters to adapt the embedding under different masking and pooling regimes across two datasets. Our findings show that minimal adaptation capacity is sufficient for post-hoc gating to improve both attribute-specific disentanglement and overall retrieval performance, while pooling, masking, and depth choices yield limited additional gains.
#05Nov 10, 2026
stat.ML
A Theory of Cross-Validation Variance
Nathaniel S. O'Connell, Jaime L. Speiser
Cross-validation estimates predictive performance by repeatedly splitting the data into training and validation sets, fitting the model on the first and evaluating it on the second. Every observation influences the estimate in two roles, through its own evaluation when it is held out and through the models it helps fit when it trains. The random splits determine its weight in each role. From this representation, we prove an exact finite-sample identity for the variance of the cross-validated estimate. For a given splitting scheme with a common training set size, the variance is a function of these weights, with constants of the model, the metric, and the population. It covers metrics averaged over observations, such as mean squared error, and over case--control pairs, such as the AUC. The identity shows which schemes to use. The variance decomposes into sampling variance, which depends only on the training size, and variance due to the random fold splitting, which arises when the weights change from one draw of the splits to the next. K-fold cross-validation, whose weights are equal across observations by design, is therefore variance optimal at first order; Monte Carlo and bootstrap cross-validation are not. The first-order variance of K-fold does not depend on K, and under reasonable conditions on the model leave-one-out has the smallest variance of any K-fold scheme. For the AUC the same holds for leave-pair-out, which evaluates every case--control pair. Finally, we show the cross-validated estimate is asymptotically normal with the identity's full variance. Together, these results provide a general theoretical foundation for inference on cross-validated performance and establish principles for selecting variance-optimal cross-validation designs.