A novel committor learning framework grounded in the AlphaFold 3 paradigm is proposed that elucidates how ligand substituents regulate the ratio between distinct binding pathways, offering new perspectives for structure-based drug design.
Jintu Zhang, Zichang Jin, Huifeng Zhao et al.· 0 citations
Current structure-based drug design generative models often struggle to faithfully recapitulate genuine ligand-protein binding interactions. Instead, under the coupling of implicit learning architectures and biased training data, they tend to learn spurious statistical correlations. To address this, we propose EIP-Diff...
Huabin Du, Mingyang Wang, M. Luo et al.· Journal of the American Chem...· 0 citations
Post-training alignment is often shallow, eroding under fine-tuning. It remains untested as to whether constitutional midtraining interventions can produce durable alignment when cleanly isolated from post-training. We build a 394M-token constitutional corpus from Anthropic's Constitution and apply constitutional midtr...
D. Cho, Cameron Tice, Bernie Hogan et al.· arXiv.org· 1 citation
This work investigates the potential of the waste hierarchy from the EU's Waste Framework Directive, which suggests five different measures for how to manage waste: prevention, reuse, recycling, recovery, and disposal, and calls to attention that prevention of unnecessary use of LLMs carry huge potential for lowering t...
E. Husom, M. Nylund, Ophelia Prillard· 0 citations
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Powered two-wheeler riders face critical safety challenges in low- and middle-income countries, yet limited studies exist on how cognitive stressors such as Time Pressure influence collision risk. We address this gap by introducing a comprehensive dataset consisting of over 129,000 labeled multivariate time-series samp...
Sumit S. Shevtekar, Chandresh K. Maurya, Gourab Sil et al.· 0 citations
This work introduces EgoCITE (Egocentric Context-augmented Indexing and Time-aware Evidence retrieval), a long-horizon agentic memory framework for egocentric QA that improves accuracy over agentic memory baselines by at least 4.4--14.2% while achieving 36$\times$ lower cost than long-context LLM agents.
This paper introduces the Epistemic Transfer Effect (ETE), which compares delayed unassisted performance across conditions, and Tool-Removal Cost (TRC), which measures the immediate drop in performance when the tool is taken away, and turns these ideas into a practical evaluation protocol that can be used in online exp...
This paper argues that the dominant anthropomorphism frame operates from a position of institutional advantage rather than earned epistemic authority: collapsing the variety of academic perspectives into a single outbound position of user error, imposed without establishing the grounds required to justify it and withou...
A near-, medium-, and long-term roadmap toward closed-loop, bidirectional restoration is outlined, and gaps in metric standardization, longitudinal evidence, and cross-community collaboration are identified as priorities for future research.
Investigating how experienced developers use agents in building software, including their motivations, strategies, task suitability, and sentiments finds that while experienced developers value agents as a productivity boost, they retain their agency in software design and implementation out of insistence on fundamenta...
Mechanist is an agentic system that uses AI as a scientific instrument for the autonomous discovery of mechanisms underlying AI intelligence, and develops a mechanism theory of belief, revealing how models represent world knowledge, form beliefs, infer the beliefs of others, and how these mechanisms emerge during pretr...
Mengru Wang, Jun-Feng Fang, Shuo-Fei Qiao et al.· 1 citation
This paper develops the first formal framework for measuring appropriate reliance on set-valued AI advice within the sequential judge-advisor paradigm, spanning both classification and regression tasks.
Ranjana Mishra, Jakob Schoeffer· arXiv.org· 0 citations
Students in MIT’s Concourse program delve deeply into the human condition, debate challenging questions, and learn to develop judgment about issues that can’t be quantified.
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.
MIT News · Artificial Intelligence· news.mit.eduSep 30, 2026
Able to defeat top-ranked human players and more efficient than other models, the new system could help decision-makers in military maneuvers or business negotiations.
Computer scientist, entrepreneur, and philanthropist will collaborate with the MIT Schwarzman College of Computing to advance AI and scientific discovery.
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