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2,470 papers
It has recently been shown that nearest-neighbour retrieval provides a strong baseline for molecular fingerprint prediction from MS/MS spectra, with several variants matching or outperforming current deep learning models (Khoo and Barzilay, 2026; Liu et al., 2026; Gupta et al., 2026). Importantly, "nearest neighbour" e...
Fast prediction of the response of adhesive soft viscoelastic contacts represents a current challenge in soft robotics and for gripping and manipulation tasks. Determining the complete time-resolved force trajectory requires full numerical simulations, whose computational cost is strongly parameter-dependent, making th...
Global objectives, such as KL divergence and ELBO, are widely used in Bayesian inference for measuring distributional discrepancy. This paper studies distributional ``local-mass behaviours'' that are not directly captured by such global objectives. We introduce and use two mathematical tools: (1) Mass Index for recordi...
Large Language Models (LLMs) are increasingly used for zero-shot annotation and LLM-as-a-judge tasks, yet their reliability hinges on how model-internalized priors interact with user-provided instructions. We investigate three dimensions of this interaction: (1) how an LLM's familiarity with data and task definitions r...
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Deep networks on the symmetric positive-definite (SPD) manifold promise expressive representations by encoding data geometry as an inductive bias, but stacking BiMap layers with the standard ReEig nonlinearity often adds no capacity: on real, preconditioned EEG data, ReEig rarely activates, so the stack behaves as a si...
We introduce AREX, a training-free sampler for pretrained flow matching models that uses the target mean and covariance to capture an analytically tractable part of the sampling dynamics. We show that the velocity field of the moment-matched Gaussian target is the $L^2$-optimal affine approximation to the marginal velo...
We study fixed-confidence best-arm identification under strict 1-bit feedback constraints. At each round, the learner selects an arm and a query set, and receives only a single bit indicating whether the sampled reward belongs to that set. We consider a distribution-free finite-variance setting with arm-wise localizati...
Despite the remarkable empirical success of flow-matching models, their statistical generalization guarantees remain underdeveloped. Existing analyses often impose restrictive assumptions on the estimated velocity field and yield convergence rates that fail to reflect the intrinsic low-dimensional structure common in r...
Why does supervised fine-tuning (SFT) lead to more forgetting than reinforcement fine-tuning (RFT), even when all teacher demonstrations are semantically correct? We study this question on classification tasks where tokens within each semantic class express the same semantic answer in different styles. The tasks share...
Many scientific questions require reasoning about what was never observed: What if the conditions, interventions, or history had been different? Models can predict accurately on observed data yet fail on such what-if queries when correlated inputs are varied independently. A common remedy is to add controlled simulatio...
Replication materials accompanying “The marginal value of alternative data in credit screening: Evidence from Chinese digital lending” by Yuan Chen and Jiawei Xu. The package contains instructions for obtaining the source data, environment specifications, data processing and modelling scripts, parameter settings, rando...
This study describes the formulation and in vitro evaluation of FERTI-MAX, a proprietary extender developed through iterative, osmolality-guided optimization to approximate the osmotic and pH environment of chicken seminal plasma. Successive prototypes were narrowed from an initial hypertonic range of approximately 520...
MIT Statistics and Data Science Center Director Alexander (Sasha) Rakhlin shares important considerations for departments and institutions.
By rethinking how large cloud computing systems operate, Associate Professor Christina Delimitrou seeks to make data centers more energy efficient.
As director, Bourg has focused on digital access, open and equitable scholarly publishing, and expanded support for data-intensive research.
Jennifer Neville did not want to go into computer science—but that’s exactly where she landed. Neville discusses the starts and stops that led to her professional sweet spot and her work identifying “surprising failures” making it hard for AI to handle complexity. The post What AI gets wrong and what failure teaches us appeared first on Microsoft Research.
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