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17,191 papers
Predicting affinity between small molecules and their protein targets remains one of the central problems in drug discovery. Due to the substantial cost of wet-lab experiments, machine learning models of drug-target affinity are usually trained on relatively small datasets, ranging from tens to hundreds of molecules. G...
Generalised Additive Models (GAMs) are a cornerstone of interpretable machine learning, offering transparent predictions through structured additive decompositions. Despite advances from classical GAMs to modern neural and spline-based variants, two notable gaps remain. First, comprehensive benchmarking of spline-based...
Real-world sensing systems are inherently imperfect: sensors may fail, intermittently disconnect, operate with asynchronous sampling rates, and be subject to noise, leading to measurement streams that are irregular, incomplete, and heterogeneous. Nevertheless, sensing strategies for real-time state reconstruction typic...
Can a search over innate drives find intrinsic rewards that help a reinforcement-learning agent learn, transfer to a task it never saw, and resist an exploit that was absent during the search? Each candidate reward combines four generic events (a new view, a pickup, a drop and a toggle), each with a weight, a relief an...
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Reinforcement learning objectives that maximize expected return can concentrate probability mass on a small subset of high-reward outcomes, limiting diversity when multiple distinct solutions are desirable. We introduce Density-Aware Reward Scaling (DARS), a simple reward-processing mechanism that promotes reward-propo...
Transaction event sequences support diverse prediction tasks in online commerce and digital financial services. The same transaction records can yield prediction targets with different semantics, including values, changes, and relations to past events. These targets impose different constraints on history representatio...
Multimodal perception is central to many computer vision applications, including robotics and autonomous driving, where different sensing modalities provide complementary cues. Self-supervised learning offers a scalable solution for exploiting large amounts of unlabeled multimodal data. However, existing methods either...
Open-set test-time adaptation (TTA) aims to adapt source-trained models to unlabeled test streams where covariate-shifted in-distribution (csID) samples and covariate-shifted out-of-distribution (csOOD) samples may coexist. Existing TTA methods are typically designed under a closed-set assumption and therefore lack exp...
Looped Transformers extend inference-time computation through repeated latent-state updates, but final-depth training does not directly encourage useful intermediate alternatives. We introduce Best-of-Depth (BoD), which trains a recurrent trajectory as a candidate set by minimizing prediction loss across depths. Differ...
We show that replacing LinUCB's usual confidence width $\beta$ by any fixed $\alpha>0$ preserves sublinear regret when the action set is $M$-smooth and $m$-strongly convex. Our high-probability regret bound for this generalisation, $\alpha$-LinUCB, establishes that valid confidence sets are not necessary for the succes...
Implicit neural representations (INRs) model signals as continuous functions from coordinates to values, but their performance depends strongly on how spectral capacity is allocated. Yet most Quantum INR (QINR) architectures treat spectral components as independent outputs of separate quantum blocks. We introduce the S...
Discovering predictive alpha factors from noisy financial data is a fundamental yet challenging problem in quantitative finance. LLM-driven formulaic alpha mining offers an attractive paradigm by combining interpretable symbolic expressions with iterative generation and refinement guided by quantitative feedback. Howev...
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.
Professor Paris Smaragdis develops computers with superhuman hearing for applications like speech recognition, music understanding, and environmental monitoring.
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.
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