Protein sequence, structure, and functional annotations each capture complementary aspects of protein biology, yet existing tokenizers encode each modality independently, limiting the expressiveness of discrete protein representations. We present ProTok, a unified protein tokenizer that maps all three modalities into a...
Romain Hardy, Xiao-Man Zhang, P. Rajpurkar· 0 citations
Weight-space learning treats the weights of neural networks as data, processed by other models called metanetworks. A key challenge is that different weights can realize the same function, related by a group of symmetries the metanetwork should respect. While symmetry-aware metanetworks for simple architectures such as...
Yonathan Wolanowsky, Guy Bar-Shalom, Fabrizio Frasca et al.· 0 citations
External tools can extend the capabilities of small language models (SLMs), enabling their deployment in resource constrained environments. However, their limited capabilities make it difficult for SLMs to discover effective tool use behaviors through reinforcement learning alone, while direct teacher supervision suffe...
Hao-Xuan Gao, Qin-Wen Luo, Xiang Chen et al.· 0 citations
Diffusion language models reconstruct masked tokens in parallel, offering an alternative to autoregressive generation. Yet their Transformer backbones typically carry visible evidence and evolving masked predictions through a single residual stream. We equip masked diffusion models with multiple residual streams that p...
Ekaterina Alimaskina, S. Kazarian, G. Molodtsov et al.· 0 citations
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A learned representation is useful beyond its source task only if later tasks can make use of what the encoder has already learned. Source-task performance, however, gives no guarantee that the representation itself will remain useful once the original head is removed. We study representation reuse with respect to a sp...
Zibo Meng, Andrew C. M. Austin, Alin Achim· 0 citations
Over-parameterization is ubiquitous in modern machine learning, yet its effect on robustness remains poorly understood. We study this question in matrix sensing, a canonical non-convex problem that can also be viewed, under an appropriate parameterization, as training a two-layer quadratic neural network. We develop a...
We study Bayesian optimization of the Conditional Value-at-Risk (CVaR) of an expensive black-box function that depends on a decision and an environmental variable. Existing no-regret algorithms assume that the correct Gaussian process (GP) kernel and its hyperparameters are known. In practice, however, they must be est...
Valentin Margraf, Jonas Hanselle, Viktor Bengs et al.· 0 citations
Kernel Mean Matching (KMM) estimates risk under covariate shift by reweighting labelled source samples so that their kernel mean embedding matches that of unlabeled target samples. Existing finite-sample guarantees are usually stated for independent samples, although many applications involve temporal, spatial, or clus...
A. Zaytsev, Diana Koldasbayeva, Egor Serov· 0 citations
Advection-diffusion plays an essential role in transport phenomena such as atmospheric and cloud dynamics. Improved forecasting of cloud motion, in turn, enhances solar power production forecasts and facilitates the integration of additional photovoltaic (PV) sources into the power grid. However, both classical numeric...
Jelena Simeunovi\'c, Baptiste Schubnel, Pierre-Jean Alet et al.· 0 citations
We study stochastic contextual bandits with an unknown context-lumpable structure. The $S$ contexts are partitioned into $r$ blocks, and every arm has the same mean reward across contexts in the same block. Under arbitrary context distributions and without separation assumptions, we design an algorithm with expected re...
On-policy self-distillation (OPSD) has emerged as a popular training paradigm for LLMs, providing dense, token-level supervision by aligning a model's own distribution with the distribution induced by privileged information. However, existing OPSD methods derive supervision solely from privileged information of the sam...
This chapter provides a mathematical introduction to operator surrogates, which are finite-parametric maps approximating complex (typically nonlinear) operators between infinite-dimensional spaces, and presents convergence rate bounds for holomorphic operators that depend on the number of trainable parameters and the r...
Christoph Schwab, Josephine Westermann, J. Zech· 1 citation
A machine-learning approach called CheMeleon provides a practical way to develop new drugs or other molecules with much less detailed, expensive experimentation.
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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