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17,191 papers
Self-supervised training is monitored without labels, through the loss and statistics of the learned features. We report a case where we know the encoders lost part of what they had learned, so we can check whether these signals noticed. We trained LeJEPA encoders on synthetic images with known generating factors. In n...
Generative models propose crystalline materials by learning composition and geometry, but unconditional sampling gives no direct control over the space group, which constrains whether responses such as piezoelectricity are symmetry-allowed. We present Orbitol, a crystal generator built on the Crystalite diffusion Trans...
Cyclic peptides are emerging as promising molecular scaffolds in drug discovery due to their high binding affinity and structural stability. However, extending generative models from linear to cyclic peptide design remains challenging, as cyclization sharply restricts the feasible design space through coupled geometric...
Recent work has shown that implicit neural representations (INRs) can be trained to effectively compress structured and unstructured volume data, allowing for direct data querying with a reduced memory footprint. However, as existing INRs for unstructured volumes do not encode geometry, they require partial mesh storag...
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On-policy distillation (OPD) has recently become a prominent post-training recipe by combining two desirable ingredients: on-policy student-generated trajectories and dense token-level teacher supervision. Yet how this hybrid training regime shapes a model remains poorly understood. We characterize the sparsity and geo...
Evaluating large language model (LLM) agents in multi-turn interactive environments is expensive and risky, as it requires online environment interaction. We propose ADWM (Autoregressive Diffusion World Model), an evaluation framework that estimates the performance of a new LLM agent policy purely from pre-collected tr...
Agentic forecasting is important for decision-making in dynamic environments, but it remains challenging because agents must reason from incomplete, time-limited evidence and produce calibrated probabilities before outcomes are resolved. Memory provides a natural mechanism for transferring experience from resolved fore...
LLMs encode both general capabilities and domain-specific knowledge in a single set of parameters. We ask whether this capacity can be reorganized: keeping broadly useful computation in a shared backbone, while moving specialized knowledge into external memory modules. We propose \emph{knowledge offloading} (KOFF), a f...
Large-scale transformer training and deployment are increasingly constrained by the transfer of activations, gradients, and optimizer states across accelerators. Low-bit quantization offers a natural remedy, but transformer activations are often heavy-tailed and outlier-dominated, making simple quantization highly loss...
Diffusion-based multimodal large language models (dMLLMs) decode by iteratively predicting tokens at multiple masked positions in parallel. This turns each decoding step into a position-selection problem: the model must choose not only which predictions are reliable in isolation, but also which positions should be comm...
Vision Transformers (ViTs) face severe computational bottlenecks due to the quadratic complexity of self-attention at high resolutions. Existing token reduction methods rely on local metrics -- such as single-layer attention scores -- that are inherently vulnerable to the attention sink phenomenon, where uninformative...
Decentralized learning (DL) is an emerging machine learning paradigm where nodes collaboratively train models without a central server. However, the collaborative nature of DL makes it vulnerable to backdoor attacks, where a model is taught to behave normally on standard inputs while executing hidden, malicious actions...
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.
Education Innovation
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