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18,068 papers
Scientific discovery with language models requires finding the best valid solution within a finite computational budget. We study how feedback from this search can improve the procedure used to conduct it. We introduce HarnessTTT, a test-time learning framework that trains a harness proposer while keeping the executor...
Vision large language models (VLLMs) are deployed in privacy-sensitive domains, raising training-data exposure concerns. Existing gray-box membership inference attacks (MIAs) commonly rely on entropy statistics or generated descriptions, requiring costly generation with limited membership separation. Perturbation-based...
A oracle-efficient reduction that combines Bernstein-type optimistic distribution estimates with a Hellinger stability bound for adaptive policy transcripts, aggregating squared marginal errors weighted by the executed policy's probing probabilities.
This paper proposes a method for constructing a neural network that achieves perfect classification of all samples in a given training set, without taking regularization into account. The network is constructed on-demand, with its layer sizes and neuron parameters determined through a geometrical analysis of the input...
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Modern neural-network training uses mixed recipes, assigning AdamW-like or sign-based updates to embedding and output layers and spectral updates to hidden matrices. These assignments are usually fixed by layer type, without a clear criterion for selecting the appropriate geometry. We turn sign-versus-spectral assignme...
The success of autoregressive language models trained with Chain-of-Thought~(CoT) supervision raises a fundamental question: How simple can a next-token predictor be while still enabling the efficient simulation of general computation through its autoregressively generated CoT? Surprisingly, we show that a single neuro...
Federated learning allows hospitals to train a shared mortality model without pooling their records, but published comparisons of aggregation strategies rarely control the evaluation protocol. This study compared seven strategies (FedAvg, FedProx, SCAFFOLD, FedAdagrad, FedAdam, FedYogi and FedCluster) on two federation...
Generative discovery in science requires coupling high-level scientific reasoning with the ability to generate samples respecting the structure of a design space. Yet these capabilities remain largely separated: foundation LLMs encode broad chemical and biological knowledge, while domain-specific flow- and diffusion-ba...
Fast, high-fidelity molecular generation requires accurate chemical choices and efficient sampling. Chemical building blocks reduce graph size, but make each node a choice among tens of thousands of related identities. We introduce MIRRA (Molecular Identity Representation, Refresh and Assembly), a discrete flow-matchin...
The pass-all-test binary reward has become a standard recipe for training software engineering agents, but its sparsity eliminates difference of partially correct patches. The test pass-rate is a natural alternative. However, we find that it is not a reliable indicator of patch quality. A functionality being tested can...
What information does a reinforcement learning policy omit? At each state, a standard policy stores one probability per action. It has no place to record how actions relate to each other, such as which pairs go together and which conflict. We ask when this missing structure matters, and we give exact answers. We store...
Large language models can answer the same question in different styles, but users' preferred styles are hidden and vary across users and questions. We study inference-time personalization through online selection from a fixed set of prompts, each representing a persona. Users arrive sequentially, each asks a short sequ...
The new approach, known as FLEX, could lead to more intuitive, interactive household and assistive robots.
By learning how matter moves, the WorldParticle system could assist with developing soft robots, medicines, and more.
A machine-learning approach called CheMeleon provides a practical way to develop new drugs or other molecules with much less detailed, expensive experimentation.
A Blog post by Ai2 on Hugging Face
Research Manager Mike Walker reflects on a career spanning hacker culture, cybersecurity, and AI, sharing lessons about trust, teamwork, leadership, and why solving difficult problems requires curiosity, judgment, agility—and an understanding of the rules. The post Learn the rules: The hacker mindset appeared first on Microsoft Research.
Learn how Google Antigravity and our Cheminformatics Skills accelerate drug discovery workflows, search compounds, and propose novel rigidified macrocycles.
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