Predicting reaction impurities is a critical yet persistently data-limited challenge in pharmaceutical process chemistry. While machine learning models for reaction outcome prediction have advanced rapidly, benchmarking their ability to predict impurities remains impractical due to the absence of curated, publicly acce...
Heejeong Kim, Seonbin Kim, Jihwan Kim et al.· 0 citations
Test-time compute (TTC) improves language model responses by spending additional computation at inference time, and the right amount of compute depends on the prompt. Adaptive TTC methods allocate compute based on signals of response quality such as observed rewards, often by stopping once the signal exceeds a fixed th...
Alon Jacobson, Qian Xie, Peter I. Frazier· 0 citations
Truncated backpropagation through time reduces the computational burden of training recurrent models by restricting gradient computations to shorter temporal contexts. This induces two distinct boundary effects: missing past information perturbs the forward state evolution, while truncating the backward recursion omits...
We present a computational framework that combines machine-learning-based discovery with rigorous computer-assisted numerical certification and formal verification for strongly nonlinear partial differential equations. We demonstrate the approach for periodic gravity-capillary traveling water waves. Physics-informed ne...
M. Shavit, Yong-Jian Wang, T. Buckmaster· 0 citations
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Recent work in machine learning has demonstrated that transformer-based language model agents can communicate state not only through text, but also directly in latent space via key-value (KV) caches. In this paper, we argue that such cache-to-cache translation can provide utility beyond the original motivating applicat...
Vihan Lakshman, P. Chen, Zhuo-Han Gu et al.· 0 citations
Kinetic equations in the high-field regime describe particle transport dominated by electric-field acceleration and collisional relaxation. These equations are widely used in simulations of plasmas and semiconductor devices. Typical models include the Vlasov--Poisson--Fokker--Planck (VPFP) and Boltzmann--Poisson system...
Parameter-efficient fine-tuning with LoRA is governed by rank, which controls parameter budget and locally accessible task updates. Existing dynamic-rank methods mainly focus on capacity allocation, leaving unresolved whether the current adaptation space is sufficient for the task. We characterize the first-order infor...
Peng Xue, Guodong Fan, Guang-Yong Chen et al.· 0 citations
Last-iterate convergence guarantees for stochastic gradient methods have attracted significant attention as practical implementations typically return the last iterate instead of an average of the iterates. In this paper, we study two approaches for analyzing the last-iterate convergence of proximal and projected stoch...
Kevin Kurian Thomas Vaidyan, Ahmet Alacaoglu, Michael P. Friedlander· 0 citations
At context lengths of about 1M tokens, dense attention is costly in prefill and decoding, and training typically relies on long documents, which become scarcer as the target length increases. Most sparse attention methods score all preceding blocks or tokens, so their selection cost per query is $O(L)$ at context lengt...
Ruitian Wang, Xinyu Yang, Minshen Zhang et al.· 0 citations
Random features approximate kernel integrals by Monte Carlo, yet only selected frequency-sampling errors affect a downstream task. We propose Task-Calibrated Random Features (TCRF), which balance frequency moments constructed from task-specific influence using weights shared across kernel entries. Closed-form weights c...
Shapley values are a central tool for attribution in machine learning. Since their exact computation requires evaluating the cooperative game to be explained on exponentially many player coalitions, they are typically estimated from a limited number of evaluations. Recently, ShaplEIG has shown that adaptively selecting...
David Rundel, R. Teal Witter, Santo M. A. R. Thies et al.· 0 citations
Attention-FFN disaggregation (AFD) separates attention from the experts of a mixture-of-experts (MoE) model and has been reported to raise decode throughput over colocated serving. Whether this advantage holds on rack-scale NVLink systems such as GB200 NVL72 remains unclear: prior results were obtained on other hardwar...
Yichao Fu, Yuxuan Zhang, Minshen Zhang et al.· 0 citations
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.
MIT News · Artificial Intelligence· news.mit.eduOct 28, 2026
Professor Paris Smaragdis develops computers with superhuman hearing for applications like speech recognition, music understanding, and environmental monitoring.
MIT News · Artificial Intelligence· news.mit.eduOct 27, 2026
Prabha Jha used her experience with MIT Open Learning’s program for senior executives to develop AI solutions for her employer, Verizon, and to write a book.
