Daily Papers

D-peptides combine protease resistance with high target specificity, but computational design of D-peptide binders remains immature. Mirror-Peptidizer introduced an in silico mirror-image screening pipeline using target reflection, backbone generation, and ProteinMPNN sequence design, but its raw ProteinMPNN negative log-likelihood (NLL) ranking was not validated against measured affinities, and only 4 of 9 tested MDM2 designs bound detectably. We introduce Mirror-Score, a calibrated, inference-only scoring framework for heterochiral D-peptide/L-protein complexes, and a public benchmark of 31 crystal complexes across four target families, including 18 with literature-verified affinities. Raw ProteinMPNN NLL is not a valid affinity ranker: its pooled Spearman correlation with affinity is 0.19, and correlations reverse between MDM2/CHIP (+0.62) and gp41 (-0.70). We therefore evaluate Boltz-2 mirror-space cofolding confidence. For the complete viral-entry family (7 structures representing 3 peptides), interface predicted local distance difference test (pLDDT) achieves structure-level leave-one-out Spearman rho = 0.90 (p = 0.006) and correctly orders all three peptides by affinity, whereas NLL fails (structure-level rho = 0.18). Because only three independent chemotypes are represented, this result indicates directional consistency rather than a statistically validated predictor. Cross-family calibration does not transfer at current sample sizes, supporting family-matched calibration as the practical deployment mode. We also specify a prospective design protocol for the antimicrobial-resistance targets LasR and LecB from Pseudomonas aeruginosa, including mirrored structures, ligand-derived hotspot maps, diffusion-model-ready inputs, and Mirror-Score ranking. Code, benchmark data, structures, and analysis scripts are openly available at https://github.com/Jiadalee/Mirror-Score.

Understanding cellular machinery requires atomic-scale reconstruction of large biomolecular assemblies. However, predicting the structures of these systems has been constrained by hardware memory requirements of models like AlphaFold 3, imposing a practical ceiling of a few thousand residues that can be processed on a single GPU. Here we present NVIDIA BioNeMo Fold-CP, a context parallelism framework that overcomes this barrier by distributing the inference and training pipelines of co-folding models across multiple GPUs. We use the Boltz models as open source reference architectures and implement custom multidimensional primitives that efficiently parallelize both the dense triangular updates and the irregular, data-dependent pattern of window-batched local attention. Our approach achieves efficient memory scaling; for an N-token input distributed across P GPUs, per-device memory scales as O(N^2/P), enabling the structure prediction of assemblies exceeding 30,000 residues on 64 NVIDIA B300 GPUs. We demonstrate the scientific utility of this approach through successful developer use cases: Fold-CP enabled the scoring of over 90% of Comprehensive Resource of Mammalian protein complexes (CORUM) database, as well as folding of disease-relevant PI4KA lipid kinase complex bound to an intrinsically disordered region without cropping. By providing a scalable pathway for modeling massive systems with full global context, Fold-CP represents a significant step toward the realization of a virtual cell.

All-atom generative modeling of 3D biomolecular complexes has emerged as the dominant paradigm for predicting the structure of proteins and protein-ligand systems. Generating structures at the atomic level of fidelity, however, typically requires expensive iterative diffusion rollouts, making both conventional deployment and inference-time search techniques computationally costly. In this paper, we introduce the Denoiser Cofolding All-Atom Flowmap (DeCAF) framework for distilling state-of-the-art all-atom cofolding models into all-atom flow maps that produce high-quality samples in only a few inference steps. We build DeCAF on a denoiser-based formulation of flow maps with endpoint losses that naturally support SE(3) rigid alignment, which we show is critical for training accurate models. We further derive a simple change of variables that lets DeCAF operate in the σ-space noise schedule of EDM-style architectures, enabling direct distillation from pretrained cofolding diffusion models. Equipped with DeCAF's flowmap lookahead, we introduce a purpose-built inference-time framework that improves sampling through reward-guided search. Empirically, DeCAF-Boltz statistically improves over Boltz-1x in both accuracy (RMSD) and physical validity scores of protein-ligand poses at strict NFE budgets on the challenging Runs N' Poses, while also showing a more optimal Pareto frontier across all inference compute budgets on PoseBusters. Distilling the state-of-the-art Pearl cofolding model, DeCAF-Pearl outperforms diffusion-based cofolding models and matches its teacher on success rate while using 5x fewer NFEs. We release our code at https://github.com/genesistherapeutics/decaf.

PyMOLfold is a flexible and open-source plugin designed to seamlessly integrate AI-based protein structure prediction and visualization within the widely used PyMOL molecular graphics system. By leveraging state-of-the-art protein folding models such as ESM3, Boltz-1, and Chai-1, PyMOLfold allows researchers to directly predict protein tertiary structures from amino acid sequences without requiring external tools or complex workflows. Furthermore, with certain models, users can provide a SMILES string of a ligand and have the small molecule placed in the protein structure. This unique capability bridges the gap between computational folding and structural visualization, enabling users to input a primary sequence, perform a folding prediction, and immediately explore the resulting 3D structure within the same intuitive platform.

While Trusted Execution Environments provide a strong foundation for secure cloud computing, they remain vulnerable to access pattern leakages. Oblivious Maps (OMAPs) mitigate this by fully hiding access patterns but suffer from high overhead due to randomized remapping and worst-case padding. We argue these costs are not fundamental. Modern accelerators featuring High-Bandwidth Memory (HBM) offer a new opportunity: Vaswani et al. [OSDI'18] point out that eavesdropping on HBM is difficult -- even for physical attackers -- as its memory channels are sealed together with processor cores inside the same physical package. Later, Hunt et al. [NSDI'20] show that, with proper isolation, HBM can be turned into an unobservable region where both data and memory traces are hidden. This motivates a rethink of OMAP design with HBM-backed solutions to finally overcome their traditional performance limits. Building on these insights, we present BOLT, a Bandwidth Optimized, Lightning-fast OMAP accelerator that, for the first time, achieves O(1) + O(log_2(log_2 (N))) bandwidth overhead. BOLT introduces three key innovations: (i) a new OMAP algorithm that leverages isolated HBM as an unobservable cache to accelerate oblivious access to large host memory; (ii) a self-hosted architecture that offloads execution and memory control from the host to mitigate CPU-side leakage; and (iii) tailored algorithm-architecture co-designs that maximize resource efficiency. We implement a prototype BOLT on a Xilinx U55C FPGA. Evaluations show that BOLT achieves up to 279x and 480x speedups in initialization and query time, respectively, over state-of-the-art OMAPs, including an industry implementation from Facebook.

Large language models (LLMs), such as o1 from OpenAI, have demonstrated remarkable reasoning capabilities. o1 generates a long chain-of-thought (LongCoT) before answering a question. LongCoT allows LLMs to analyze problems, devise plans, reflect, and backtrack effectively. These actions empower LLM to solve complex problems. After the release of o1, many teams have attempted to replicate its LongCoT and reasoning capabilities. In terms of methods, they primarily rely on knowledge distillation with data from existing models with LongCoT capacities (e.g., OpenAI-o1, Qwen-QwQ, DeepSeek-R1-Preview), leaving significant uncertainties on systematically developing such reasoning abilities. In terms of data domains, these works focus narrowly on math while a few others include coding, limiting their generalizability. This paper introduces a novel approach to enable LLM's LongCoT capacity without distillation from o1-like models or expensive human annotations, where we bootstrap LongCoT (BOLT) from a standard instruct model. BOLT involves three stages: 1) LongCoT data bootstrapping with in-context learning on a standard instruct model; 2) LongCoT supervised finetuning; 3) online training to further refine LongCoT capacities. In BOLT, only a few in-context examples need to be constructed during the bootstrapping stage; in our experiments, we created 10 examples, demonstrating the feasibility of this approach. We use Llama-3.1-70B-Instruct to bootstrap LongCoT and apply our method to various model scales (7B, 8B, 70B). We achieve impressive performance on a variety of benchmarks, Arena-Hard, MT-Bench, WildBench, ZebraLogic, MATH500, which evaluate diverse task-solving and reasoning capabilities.

Large video-language models (VLMs) have demonstrated promising progress in various video understanding tasks. However, their effectiveness in long-form video analysis is constrained by limited context windows. Traditional approaches, such as uniform frame sampling, often inevitably allocate resources to irrelevant content, diminishing their effectiveness in real-world scenarios. In this paper, we introduce BOLT, a method to BOost Large VLMs without additional Training through a comprehensive study of frame selection strategies. First, to enable a more realistic evaluation of VLMs in long-form video understanding, we propose a multi-source retrieval evaluation setting. Our findings reveal that uniform sampling performs poorly in noisy contexts, underscoring the importance of selecting the right frames. Second, we explore several frame selection strategies based on query-frame similarity and analyze their effectiveness at inference time. Our results show that inverse transform sampling yields the most significant performance improvement, increasing accuracy on the Video-MME benchmark from 53.8% to 56.1% and MLVU benchmark from 58.9% to 63.4%. Our code is available at https://github.com/sming256/BOLT.

We introduce SIMA 2, a generalist embodied agent that understands and acts in a wide variety of 3D virtual worlds. Built upon a Gemini foundation model, SIMA 2 represents a significant step toward active, goal-directed interaction within an embodied environment. Unlike prior work (e.g., SIMA 1) limited to simple language commands, SIMA 2 acts as an interactive partner, capable of reasoning about high-level goals, conversing with the user, and handling complex instructions given through language and images. Across a diverse portfolio of games, SIMA 2 substantially closes the gap with human performance and demonstrates robust generalization to previously unseen environments, all while retaining the base model's core reasoning capabilities. Furthermore, we demonstrate a capacity for open-ended self-improvement: by leveraging Gemini to generate tasks and provide rewards, SIMA 2 can autonomously learn new skills from scratch in a new environment. This work validates a path toward creating versatile and continuously learning agents for both virtual and, eventually, physical worlds.

In this report, we introduce the Gemini 2.X model family: Gemini 2.5 Pro and Gemini 2.5 Flash, as well as our earlier Gemini 2.0 Flash and Flash-Lite models. Gemini 2.5 Pro is our most capable model yet, achieving SoTA performance on frontier coding and reasoning benchmarks. In addition to its incredible coding and reasoning skills, Gemini 2.5 Pro is a thinking model that excels at multimodal understanding and it is now able to process up to 3 hours of video content. Its unique combination of long context, multimodal and reasoning capabilities can be combined to unlock new agentic workflows. Gemini 2.5 Flash provides excellent reasoning abilities at a fraction of the compute and latency requirements and Gemini 2.0 Flash and Flash-Lite provide high performance at low latency and cost. Taken together, the Gemini 2.X model generation spans the full Pareto frontier of model capability vs cost, allowing users to explore the boundaries of what is possible with complex agentic problem solving.

In this empirical article, we introduce INNAprop, an optimization algorithm that combines the INNA method with the RMSprop adaptive gradient scaling. It leverages second-order information and rescaling while keeping the memory requirements of standard DL methods as AdamW or SGD with momentum.After having recalled our geometrical motivations, we provide quite extensive experiments. On image classification (CIFAR-10, ImageNet) and language modeling (GPT-2), INNAprop consistently matches or outperforms AdamW both in training speed and accuracy, with minimal hyperparameter tuning in large-scale settings. Our code is publicly available at https://github.com/innaprop/innaprop.

Self-supervised approaches for speech representation learning are challenged by three unique problems: (1) there are multiple sound units in each input utterance, (2) there is no lexicon of input sound units during the pre-training phase, and (3) sound units have variable lengths with no explicit segmentation. To deal with these three problems, we propose the Hidden-Unit BERT (HuBERT) approach for self-supervised speech representation learning, which utilizes an offline clustering step to provide aligned target labels for a BERT-like prediction loss. A key ingredient of our approach is applying the prediction loss over the masked regions only, which forces the model to learn a combined acoustic and language model over the continuous inputs. HuBERT relies primarily on the consistency of the unsupervised clustering step rather than the intrinsic quality of the assigned cluster labels. Starting with a simple k-means teacher of 100 clusters, and using two iterations of clustering, the HuBERT model either matches or improves upon the state-of-the-art wav2vec 2.0 performance on the Librispeech (960h) and Libri-light (60,000h) benchmarks with 10min, 1h, 10h, 100h, and 960h fine-tuning subsets. Using a 1B parameter model, HuBERT shows up to 19% and 13% relative WER reduction on the more challenging dev-other and test-other evaluation subsets.

Data-driven engineering design is constrained by the lack of large-scale 3D datasets that pair geometry with physics-based performance labels. In particular, existing 3D data augmentation techniques have limitations in preserving subtle and diverse geometric variations, and it remains difficult to automate the subsequent simulation-labeling process, where boundary conditions vary depending on the generated geometry. We present DeepJEB++, a foundation-model-driven data-augmentation framework that expands a small seed set of jet engine brackets into a large, simulation-labeled 3D dataset under constrained resources. Our key idea is to augment in the data-rich 2D latent space, then transfer to 3D. In Stage 1, we fine-tune a pretrained 2D latent diffusion model on multi-view renders and synthesize novel views by latent interpolation, retaining manufacturable designs through a vision-language-model (VLM) quality filter. In Stage 2, the validated images are lifted to 3D meshes by a domain-adapted generative foundation model. In Stage 3, an automated pipeline recognizes the load and bolt interfaces on each mesh and assigns finite-element labels -- mass, stress, and displacement -- without manual intervention. We assess augmentation quality along three intrinsic axes: manufacturability, label fidelity against the SimJEB ground truth, and distributional consistency. Starting from fewer than 400 seed designs, DeepJEB++ yields 15,360 simulation-labeled 3D brackets -- a 40x expansion -- using a single GPU per stage. The dataset will be made publicly available to support reproducible engineering-AI research.

Building embodied AI systems that can follow arbitrary language instructions in any 3D environment is a key challenge for creating general AI. Accomplishing this goal requires learning to ground language in perception and embodied actions, in order to accomplish complex tasks. The Scalable, Instructable, Multiworld Agent (SIMA) project tackles this by training agents to follow free-form instructions across a diverse range of virtual 3D environments, including curated research environments as well as open-ended, commercial video games. Our goal is to develop an instructable agent that can accomplish anything a human can do in any simulated 3D environment. Our approach focuses on language-driven generality while imposing minimal assumptions. Our agents interact with environments in real-time using a generic, human-like interface: the inputs are image observations and language instructions and the outputs are keyboard-and-mouse actions. This general approach is challenging, but it allows agents to ground language across many visually complex and semantically rich environments while also allowing us to readily run agents in new environments. In this paper we describe our motivation and goal, the initial progress we have made, and promising preliminary results on several diverse research environments and a variety of commercial video games.

We introduce Generative Spoken Language Modeling, the task of learning the acoustic and linguistic characteristics of a language from raw audio (no text, no labels), and a set of metrics to automatically evaluate the learned representations at acoustic and linguistic levels for both encoding and generation. We set up baseline systems consisting of a discrete speech encoder (returning pseudo-text units), a generative language model (trained on pseudo-text), and a speech decoder (generating a waveform from pseudo-text) all trained without supervision and validate the proposed metrics with human evaluation. Across 3 speech encoders (CPC, wav2vec 2.0, HuBERT), we find that the number of discrete units (50, 100, or 200) matters in a task-dependent and encoder-dependent way, and that some combinations approach text-based systems.

Smart glasses with AI assistants are increasingly used in daily life. However, current systems lack awareness of the user's internal cognitive state, leaving them unable to proactively anticipate users' needs without access to cognitive load. Existing methods for assessing cognitive load either rely on impractical sensors for lightweight eyewear or utilize eye gaze-based models that suffer from poor interpretability, and require task-specific fine-tuning, often failing to generalize across individuals. We propose GazeMind, a gaze-guided LLM agent framework for cognitive load assessment on smart glasses. It encodes eye-tracking data into structured representations for LLM-based reasoning and provides interpretable cognitive load predictions. Importantly, GazeMind generalizes across scenarios without LLM fine-tuning through a novel task-guidance reasoning approach and achieves personalized adaptation by incorporating user-specific characteristics and historical references. To support evaluation, we introduce CogLoad-Bench, the largest gaze-based cognitive load dataset with 152 participants, 40+ hours of multimodal data, and 10K+ real-time annotations across controlled and real-world tasks. Experiments show that GazeMind achieves state-of-the-art performance, outperforming baselines by over 20% across all metrics.

The OpenUniverse2024 simulation suite is a cross-collaboration effort to produce matched simulated imaging for multiple surveys as they would observe a common simulated sky. Both the simulated data and associated tools used to produce it are intended to uniquely enable a wide range of studies to maximize the science potential of the next generation of cosmological surveys. We have produced simulated imaging for approximately 70 deg^2 of the Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST) Wide-Fast-Deep survey and the Nancy Grace Roman Space Telescope High-Latitude Wide-Area Survey, as well as overlapping versions of the ELAIS-S1 Deep-Drilling Field for LSST and the High-Latitude Time-Domain Survey for Roman. OpenUniverse2024 includes i) an early version of the updated extragalactic model called Diffsky, which substantially improves the realism of optical and infrared photometry of objects, compared to previous versions of these models; ii) updated transient models that extend through the wavelength range probed by Roman and Rubin; and iii) improved survey, telescope, and instrument realism based on up-to-date survey plans and known properties of the instruments. It is built on a new and updated suite of simulation tools that improves the ease of consistently simulating multiple observatories viewing the same sky. The approximately 400 TB of synthetic survey imaging and simulated universe catalogs are publicly available, and we preview some scientific uses of the simulations.

In this report, we present the latest model of the Gemini family, Gemini 1.5 Pro, a highly compute-efficient multimodal mixture-of-experts model capable of recalling and reasoning over fine-grained information from millions of tokens of context, including multiple long documents and hours of video and audio. Gemini 1.5 Pro achieves near-perfect recall on long-context retrieval tasks across modalities, improves the state-of-the-art in long-document QA, long-video QA and long-context ASR, and matches or surpasses Gemini 1.0 Ultra's state-of-the-art performance across a broad set of benchmarks. Studying the limits of Gemini 1.5 Pro's long-context ability, we find continued improvement in next-token prediction and near-perfect retrieval (>99%) up to at least 10M tokens, a generational leap over existing models such as Claude 2.1 (200k) and GPT-4 Turbo (128k). Finally, we highlight surprising new capabilities of large language models at the frontier; when given a grammar manual for Kalamang, a language with fewer than 200 speakers worldwide, the model learns to translate English to Kalamang at a similar level to a person who learned from the same content.

Enterprise large language model (LLM) applications often begin as prototypes whose behavior is carried by prompts and retrieval context. Productization adds requirements for source boundaries, entity routing, answer contracts, and reproducible traces. We present a harness-engineering approach that reconstructs this pattern into a traceable, auditable LLM-agent architecture: deterministic behavior moves into code, manifests, schemas, and validation artifacts around a replaceable composition boundary, while source-backed claims remain the authority for runtime answers. We instantiate it on a public-data slice of five Korean corporate groups (25 listed companies) and evaluate three research questions. (1) The harness preserves its source-grounding, entity-routing, trace, output-hygiene, and recommendation-language contracts across the fixed validation scenarios; a fault-injection control confirms the validators flag deliberately broken contracts. (2) The checks the harness enforces held under model substitution: across three hosted models, they passed on all 270 composition-boundary runs; failures were confined to the model-composed side and were caught and recorded. (3) The code-owned guarantees are load-bearing, not reproducible by prompting alone: holding the model fixed and varying only the enforcement layer, prompt instructions alone let recommendation-language and internal-trace-leakage violations reach the reader, which the harness blocks entirely. A bolt-on external guardrail prevents such violations too but over-refuses, dropping utility to 88/120 where the harness preserves full utility (120/120); in this ablation, only code-owned enforcement preserves both safety and utility. The result is a reusable engineering pattern for turning exploratory prototypes into auditable applications with versioned source, control, and validation artifacts.

Accurate 3D object pose estimation is key to enabling many robotic applications that involve challenging object interactions. In this work, we show that the density field created by a state-of-the-art efficient radiance field reconstruction method is suitable for highly accurate and robust pose estimation for objects with known 3D models, even when they are very small and with challenging reflective surfaces. We present a fully automatic object pose estimation system based on a robot arm with a single wrist-mounted camera, which can scan a scene from scratch, detect and estimate the 6-Degrees of Freedom (DoF) poses of multiple objects within a couple of minutes of operation. Small objects such as bolts and nuts are estimated with accuracy on order of 1mm.

We introduce POPGym Arcade, a benchmark consisting of 7 pixel-based environments each with three difficulties, utilizing a single observation and action space. Each environment offers both fully observable and partially observable variants, enabling counterfactual studies on partial observability. POPGym Arcade utilizes JIT compilation on hardware accelerators to achieve substantial speedups over CPU-bound environments. Moreover, this enables Podracer-style architectures to further increase hardware utilization and training speed. We evaluate memory models on our environments using a Podracer variant of Q learning, and examine the results. Finally, we generate memory saliency maps, uncovering how memories propagate through policies. Our library is available at https://github.com/bolt-research/popgym_arcade.

In order to solve the problem of low automation of Aero-engine Turbine shaft assembly and the difficulty of non-contact high-precision measurement, a structured light binocular measurement technology for key components of aero-engine is proposed in this paper. Combined with three-dimensional point cloud data processing and assembly position matching algorithm, the high-precision measurement of shaft hole assembly posture in the process of turbine shaft docking is realized. Firstly, the screw thread curve on the bolt surface is segmented based on PCA projection and edge point cloud clustering, and Hough transform is used to model fit the three-dimensional thread curve. Then the preprocessed two-dimensional convex hull is constructed to segment the key hole location features, and the mounting surface and hole location obtained by segmentation are fitted based on RANSAC method. Finally, the geometric feature matching is used the evaluation index of turbine shaft assembly is established to optimize the pose. The final measurement accuracy of mounting surface matching is less than 0.05mm, and the measurement accuracy of mounting hole matching based on minimum ance optimization is less than 0.1 degree. The measurement algorithm is implemented on the automatic assembly test-bed of a certain type of aero-engine low-pressure turbine rotor. In the narrow installation space, the assembly process of the turbine shaft assembly, such as the automatic alignment and docking of the shaft hole, the automatic heating and temperature measurement of the installation seam, and the automatic tightening of the two guns, are realized in the narrow installation space Guidance, real-time inspection and assembly result evaluation.

Open-source large language models (LLMs) still marginalise Moroccan Arabic (Darija), forcing practitioners either to bolt on heavyweight Arabic adapters or to sacrifice the very reasoning skills that make LLMs useful. We show that a rigorously quality-over-quantity alignment strategy can surface fluent Darija while safeguarding the backbone s cross-lingual reasoning at a sliver of the usual compute. We translate three compact instruction suites LIMA 1 K, DEITA 6 K and TULU 50 K into Darija, preserve 20 of the English originals, and add mathematics, coding and scientific prompts. A LoRA-tuned Gemma 3-4B trained on 5 K mixed instructions lifts DarijaMMLU from 32.8 to 42.7 ; adding the reasoning-dense TULU portion pushes it to 47.5 with no English regression. Scaling the identical recipe to Gemma 3-27B produces GemMaroc-27B, which matches Atlas-Chat on DarijaMMLU (61.6 ) and leaps ahead on Darija commonsense, scoring 60.5 on HellaSwag versus Atlas-Chat s 48.4 . Crucially, GemMaroc retains Gemma-27B s strong maths and general-reasoning ability, showing only minimal movement on GSM8K and English benchmarks. The entire model is trained in just 48 GPU.h, underscoring a Green AI pathway to inclusive, sustainable language technology. We release code, data and checkpoints to spur Darija-centric applications in education, public services and everyday digital interaction.

Robotic assembly is one of the oldest and most challenging applications of robotics. In other areas of robotics, such as perception and grasping, simulation has rapidly accelerated research progress, particularly when combined with modern deep learning. However, accurately, efficiently, and robustly simulating the range of contact-rich interactions in assembly remains a longstanding challenge. In this work, we present Factory, a set of physics simulation methods and robot learning tools for such applications. We achieve real-time or faster simulation of a wide range of contact-rich scenes, including simultaneous simulation of 1000 nut-and-bolt interactions. We provide 60 carefully-designed part models, 3 robotic assembly environments, and 7 robot controllers for training and testing virtual robots. Finally, we train and evaluate proof-of-concept reinforcement learning policies for nut-and-bolt assembly. We aim for Factory to open the doors to using simulation for robotic assembly, as well as many other contact-rich applications in robotics. Please see https://sites.google.com/nvidia.com/factory for supplementary content, including videos.

In-context learning, the ability of large language models to perform tasks using only examples provided in the prompt, has recently been adapted for time series forecasting. This paradigm enables zero-shot prediction, where past values serve as context for forecasting future values, making powerful forecasting tools accessible to non-experts and increasing the performance when training data are scarce. Most existing zero-shot forecasting approaches rely on transformer architectures, which, despite their success in language, often fall short of expectations in time series forecasting, where recurrent models like LSTMs frequently have the edge. Conversely, while LSTMs are well-suited for time series modeling due to their state-tracking capabilities, they lack strong in-context learning abilities. We introduce TiRex that closes this gap by leveraging xLSTM, an enhanced LSTM with competitive in-context learning skills. Unlike transformers, state-space models, or parallelizable RNNs such as RWKV, TiRex retains state-tracking, a critical property for long-horizon forecasting. To further facilitate its state-tracking ability, we propose a training-time masking strategy called CPM. TiRex sets a new state of the art in zero-shot time series forecasting on the HuggingFace benchmarks GiftEval and Chronos-ZS, outperforming significantly larger models including TabPFN-TS (Prior Labs), Chronos Bolt (Amazon), TimesFM (Google), and Moirai (Salesforce) across both short- and long-term forecasts.

Recent efforts to combine low-rank adaptation (LoRA) with mixture-of-experts (MoE) for adapting large language models (LLMs) to multiple tasks still exhibit prevailing limitations: they either swap entire attention/feed-forward layers for switch experts or bolt on parallel expert branches, diluting parameter efficiency and task fidelity. We propose the LoRA-Mixer, a modular and lightweight MoE framework that integrates LoRA experts. Our core innovation lies in replacing the projection matrices of the attention module's input/output linear layers with dynamically routed, task-specific LoRA experts. This design ensures seamless compatibility with diverse foundation models, including transformers and state space models (SSMs), by leveraging their inherent linear projection structures. The framework supports two operational paradigms: (1) joint optimization of LoRA experts and routing mechanisms via a novel hard-soft routing strategy, or (2) direct deployment of pre-trained, frozen LoRA modules sourced from external repositories. To enable robust router training with limited data while ensuring stable routing decisions and maximizing expert reuse, we introduce an adaptive Specialization Balance Loss (SBL) that jointly optimizes expert balance and task-specific alignment. Extensive experiments on seven benchmark datasets, including MedQA, CoLA, SST-2, GSM8K, ARC-E, ARC-C, and HumanEval, demonstrate the effectiveness of LoRA-Mixer. On datasets such as GSM8K, HumanEval, and MedQA, LoRA-Mixer achieves significant improvements of 7.61%, 4.88%, and 3.08% over the base models, respectively. Compared with state-of-the-art methods, LoRA-Mixer achieves additional improvements of 1.09%, 1.45%, and 1.68%, respectively, using only 48% of the parameters, demonstrating its efficiency and strong performance.

Accurate crop yield forecasting is essential for global food security. However, current AI models systematically underperform when yields deviate from historical trends. We attribute this to the lack of rich, physically grounded datasets directly linking atmospheric states to yields. To address this, we introduce VITA (Variational Inference Transformer for Asymmetric data), a variational pretraining framework that learns representations from large satellite-based weather datasets and transfers to the ground-based limited measurements available for yield prediction. VITA is trained using detailed meteorological variables as proxy targets during pretraining and learns to predict latent atmospheric states under a seasonality-aware sinusoidal prior. This allows the model to be fine-tuned using limited weather statistics during deployment. Applied to 763 counties in the U.S. Corn Belt, VITA achieves state-of-the-art performance in predicting corn and soybean yields across all evaluation scenarios, particularly during extreme years, with statistically significant improvements (paired t-test, p < 0.0001). Importantly, VITA outperforms prior frameworks like GNN-RNN without soil data, and bigger foundational models (e.g., Chronos-Bolt) with less compute, making it practical for real-world use--especially in data-scarce regions. This work highlights how domain-aware AI design can overcome data limitations and support resilient agricultural forecasting in a changing climate.

Chemical language models, combined with reinforcement learning (RL), have shown significant promise to efficiently traverse large chemical spaces for drug discovery. However, the performance of various RL algorithms and their best practices for practical drug discovery are still unclear. Here, starting from the principles of the REINFORCE algorithm, we investigate the effect of different components from RL theory including experience replay, hill-climbing, baselines to reduce variance, and alternative reward shaping. We propose a new regularization method more aligned to REINFORCE than current standard practices, and demonstrate how RL hyperparameters can be fine-tuned for effectiveness and efficiency. Lastly, we apply our learnings to practical drug discovery by demonstrating enhanced learning efficiency on frontier binding affinity models by using Boltz2 as a reward model. We share our RL models used in the ACEGEN repository, and hope the experiments here act as a guide to researchers applying RL to chemical language models for drug discovery.

Time series foundation models (TSFMs) are increasingly being adopted as highly-capable general-purpose time series representation learners. Although their training corpora are vast, they exclude astronomical time series data. Observations of stars produce peta-scale time series with unique challenges including irregular sampling and heteroskedasticity. We introduce StarEmbed, the first public benchmark for rigorous and standardized evaluation of state-of-the-art TSFMs on stellar time series observations (``light curves''). We benchmark on three scientifically-motivated downstream tasks: unsupervised clustering, supervised classification, and out-of-distribution source detection. StarEmbed integrates a catalog of expert-vetted labels with multi-variate light curves from the Zwicky Transient Facility, yielding ~40k hand-labeled light curves spread across seven astrophysical classes. We evaluate the zero-shot representation capabilities of three TSFMs (MOIRAI, Chronos, Chronos-Bolt) and a domain-specific transformer (Astromer) against handcrafted feature extraction, the long-standing baseline in the astrophysics literature. Our results demonstrate that these TSFMs, especially the Chronos models, which are trained on data completely unlike the astronomical observations, can outperform established astrophysics-specific baselines in some tasks and effectively generalize to entirely new data. In particular, TSFMs deliver state-of-the-art performance on our out-of-distribution source detection benchmark. With the first benchmark of TSFMs on astronomical time series data, we test the limits of their generalization and motivate a paradigm shift in time-domain astronomy from using task-specific, fully supervised pipelines toward adopting generic foundation model representations for the analysis of peta-scale datasets from forthcoming observatories.

Efficient long-video understanding requires vision--language models (VLMs) to reason over a small number of frames selected as sparse visual evidence. Existing relevance-based methods rely on static one-shot selection with fixed frame budgets and candidate pools, while agent-based schedulers achieve adaptivity through costly multi-round reasoning and interactive search. We propose EcoFrame, a training-free framework for low-overhead query-adaptive visual evidence scheduling. EcoFrame leverages the VLM's inference feedback to determine when to increase the frame budget and where to search for additional candidate evidence. Specifically, entropy-gated budget scheduling uses output uncertainty to stop early when the current evidence is sufficient or progressively expand the frame budget otherwise. Meanwhile, attention-guided candidate proposal converts frame-level attention into a temporal prior, enabling dense local search in informative regions while preserving global coverage when attention is diffuse. Experiments on Video-MME, LongVideoBench, and MLVU demonstrate that EcoFrame achieves a better accuracy--efficiency trade-off across multiple VLM backbones. On Qwen2.5-VL, EcoFrame achieves an average accuracy of 64.4, surpassing BOLT at 63.5, while providing a 1.85times speedup over AKS and BOLT. Compared with the agent-based A.I.R., EcoFrame maintains comparable accuracy with up to a 13.5times inference speedup. Code will be available at https://github.com/AK-DREAM/EcoFrame.