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FIGRDock: Fast Interaction-Guided Regression for Flexible Docking
Flexible docking, which predicts the binding conformations of both proteins and small molecules by modeling their structural flexibility, plays a vital role in structure-based drug design. Although recent generative approaches, particularly diffusion-based models, have shown promising results, they require iterative sampling to generate candidate structures and depend on separate scoring functions for pose selection. This leads to an inefficient pipeline that is difficult to scale in real-world drug discovery workflows. To overcome these challenges, we introduce FIGRDock, a fast and accurate flexible docking framework that understands complicated interactions between molecules and proteins with a regression-based approach. FIGRDock leverages initial docking poses from conventional tools to distill interaction-aware distance patterns, which serve as explicit structural conditions to directly guide the prediction of the final protein-ligand complex via a regression model. This one-shot inference paradigm enables rapid and precise pose prediction without reliance on multi-step sampling or external scoring stages. Experimental results show that FIGRDock achieves up to 100 faster inference than diffusion-based docking methods, while consistently surpassing them in accuracy across standard benchmarks. These results suggest that FIGRDock has the potential to offer a scalable and efficient solution for flexible docking, advancing the pace of structure-based drug discovery.
PaceLLM: Brain-Inspired Large Language Models for Long-Context Understanding
While Large Language Models (LLMs) demonstrate strong performance across domains, their long-context capabilities are limited by transient neural activations causing information decay and unstructured feed-forward network (FFN) weights leading to semantic fragmentation. Inspired by the brain's working memory and cortical modularity, we propose PaceLLM, featuring two innovations: (1) a Persistent Activity (PA) Mechanism that mimics prefrontal cortex (PFC) neurons' persistent firing by introducing an activation-level memory bank to dynamically retrieve, reuse, and update critical FFN states, addressing contextual decay; and (2) Cortical Expert (CE) Clustering that emulates task-adaptive neural specialization to reorganize FFN weights into semantic modules, establishing cross-token dependencies and mitigating fragmentation.
Anatomically inspired digital twins capture hierarchical object representations in visual cortex
Invariant object recognition-the ability to identify objects despite changes in appearance-is a hallmark of visual processing in the brain, yet its understanding remains a central challenge in systems neuroscience. Artificial neural networks trained to predict neural responses to visual stimuli ("digital twins") could provide a powerful framework for studying such complex computations in silico. However, while current models accurately capture single-neuron responses within individual visual areas, their ability to reproduce how populations of neurons represent object identity, and how these representations transform across the cortical hierarchy, remains largely unexplored. Here we examine key functional signatures observed experimentally and find that current models account for hierarchical changes in basic single-neuron properties, such as receptive field size, but fail to capture more complex population-level phenomena, particularly invariant object representations. To address this gap, we introduce a biologically inspired hierarchical readout scheme that mirrors cortical anatomy, modeling each visual area as a projection from a distinct depth within a shared core network. This approach significantly improves the prediction of population-level representational transformations, outperforming standard models that use only the final layer, as well as alternatives with modified architecture, regularization, and loss function. Our results suggest that incorporating anatomical information provides a strong inductive bias in digital twin models, enabling them to better capture general principles of brain function.
Elon Musk becomes world's first trillionaire as SpaceX soars in stock market debut
Elon Musk becomes world's first trillionaire as SpaceX soars in stock market debut Elon Musk on Friday became the world's first trillionaire after shares in his SpaceX rocket company soared during the biggest-ever stock market debut. The Tesla and SpaceX founder comfortably cemented his status as the world's richest man, with his total net worth standing at $1.11tn (ยฃ828bn) according to the Bloomberg rich list. It came as the rocket, telecommunications and artificial intelligence (AI) company listed on the Nasdaq stock exchange with a value of $2.2tn. The company said its shares would be offered at $135 each, but trading opened at $150 and briefly reached $176.50 in a show of investor enthusiasm for potential business related to space and companies associated with Musk. SpaceX shares closed on Friday at about $161.
Mother sues OpenAI in US after daughter's death linked to ChatGPT use
Mother sues OpenAI in US after daughter's death linked to ChatGPT use Alice Carrier had recently started playing the guitar again, a hobby she enjoyed in high school but had set aside during college. It was one of several pursuits she filled her free time with as she interviewed for new jobs, spent time with her dog and enjoyed activities, including gaming. By all appearances, at least to her mother, Kristie Carrier, things were going well. Alice was working as a web developer in Montreal, Canada, fulfilling a dream she had carried since growing up in the small town of Lawrence, New Brunswick. But what Carrier did not know was how much her daughter was struggling in silence.
Cognitive Predictive Processing: A Human-inspired Framework for Adaptive Exploration in Open-World Reinforcement Learning
Open-world reinforcement learning challenges agents to develop intelligent behavior in vast exploration spaces. Recent approaches like LS-Imagine have advanced the field by extending imagination horizons through jumpy state transitions, yet remain limited by fixed exploration mechanisms and static jump thresholds that cannot adapt across changing task phases, resulting in inefficient exploration and lower completion rates. Humans demonstrate remarkable capabilities in open-world decision-making through a chain-like process of task decomposition, selective memory utilization, and adaptive uncertainty regulation. Inspired by human decision-making processes, we present Cognitive Predictive Processing (CPP), a novel framework that integrates three neurologically-inspired systems: a phase-adaptive cognitive controller that dynamically decomposes tasks into exploration, approach, and completion phases with adaptive parameters; a dual-memory integration system implementing dual-modal memory that balances immediate context with selective long-term storage; and an uncertainty-modulated prediction regulator that continuously updates environmental predictions to modulate exploration behavior. Comprehensive experiments in MineDojo demonstrate that these human-inspired decision-making strategies enhance performance over recent techniques, with success rates improving by an average of 4.6\% across resource collection tasks while reducing task completion steps by an average of 7.1\%. Our approach bridges cognitive neuroscience and reinforcement learning, excelling in complex scenarios that require sustained exploration and strategic adaptation while demonstrating how neural-inspired models can solve key challenges in open-world AI systems.
3D Human Pose Estimation with Muscles
We introduce MusclePose as an end-to-end learnable physics-infused 3D human pose estimator that incorporates muscle-dynamics modeling to infer human dynamics from monocular video. Current physics pose estimators aim to predict physically plausible poses by enforcing the underlying dynamics equations that govern motion. Since this is an underconstrained problem without force-annotated data, methods often estimate kinetics with external physics optimizers that may not be compatible with existing learning frameworks, or are too slow for real-time inference. While more recent methods use a regression-based approach to overcome these issues, the estimated kinetics can be seen as auxiliary predictions, and may not be physically plausible. To this end, we build on existing regression-based approaches, and aim to improve the biofidelity of kinetic inference with a multihypothesis approach --- by inferring joint torques via Lagrange's equations and via muscle dynamics modeling with muscle torque generators. Furthermore, MusclePose predicts detailed human anthropometrics based on values from biomechanics studies, in contrast to existing physics pose estimators that construct their human models with shape primitives. We show that MusclePose is competitive with existing 3D pose estimators in positional accuracy, while also able to infer plausible human kinetics and muscle signals consistent with values from biomechanics studies, without requiring an external physics engine.
'Tell Him He's a Piece of Shit': Meta's New AI Unit Is a Total Mess
'Tell Him He's a Piece of Shit': Meta's New AI Unit Is a Total Mess Executives and employees alike are struggling with Meta's chaotic AI strategy, according to sources and internal discussions reviewed by WIRED. Someone interrupted a livestreamed, employee-only presentation at Meta earlier this week with an expletive-filled outburst about "being the company's bitch," according to a recording heard by WIRED. The individual then asked the people leading the call to write to a specific Meta AI executive and tell him that he's a piece of shit. One of the presenters covered their face with their hands, according to a witness. The incident, which took place on a call open to thousands of employees, reflects growing frustration inside the company's Applied AI team, which was formed in March to support the work of AI researchers at Meta Superintelligence Labs .
Words That Unite The World: A Unified Framework for Deciphering Central Bank Communications
Central banks around the world play a crucial role in maintaining economic stability. Deciphering policy implications in their communications is essential, especially as misinterpretations can disproportionately impact vulnerable populations. To address this, we introduce the World Central Banks (WCB) dataset, the most comprehensive monetary policy corpus to date, comprising over 380k sentences from 25 central banks across diverse geographic regions, spanning 28 years of historical data. After uniformly sampling 1k sentences per bank (25k total) across all available years, we annotate and review each sentence using dual annotators, disagreement resolutions, and secondary expert reviews. We define three tasks: Stance Detection, Temporal Classification, and UncertaintyEstimation, with each sentence annotated for all three.