Daily Papers

Speech language models (speech LLMs) can generate plausible outputs from audio that contains no usable speech evidence. We study this failure as a pre-generation support-estimation problem and present SURE-Voice, a training-free front end that decides whether an audio prompt contains intelligible speech evidence before calling a speech LLM. We build SURE-Challenge with a 640-example SURE-Core split and a 1,920-example SURE-Extended split derived from 120 LibriSpeech source utterances. Using one fixed operating point, an energy screen plus Whisper token confidence raises unsupported accuracy on the held-out Extended test from 0.000--0.133 to 0.919 for six non-degenerate speech LLM backbones, while supported accuracy remains 0.919--0.970 and downstream calls fall from 480 to 287. A 500-clip ESC-50 sanity set shows the same pattern on real environmental audio, with vocal non-speech as a residual failure mode. An overlap diagnostic shows that source attribution remains separate from speech-evidence filtering. The evidence supports a controlled benchmark baseline and a deployment-oriented analysis; it does not establish universal robustness to semantic answerability, gain variation or natural conversations.

Computational catalysis is playing an increasingly significant role in the design of catalysts across a wide range of applications. A common task for many computational methods is the need to accurately compute the minimum binding energy - the adsorption energy - for an adsorbate and a catalyst surface of interest. Traditionally, the identification of low energy adsorbate-surface configurations relies on heuristic methods and researcher intuition. As the desire to perform high-throughput screening increases, it becomes challenging to use heuristics and intuition alone. In this paper, we demonstrate machine learning potentials can be leveraged to identify low energy adsorbate-surface configurations more accurately and efficiently. Our algorithm provides a spectrum of trade-offs between accuracy and efficiency, with one balanced option finding the lowest energy configuration, within a 0.1 eV threshold, 86.33% of the time, while achieving a 1331x speedup in computation. To standardize benchmarking, we introduce the Open Catalyst Dense dataset containing nearly 1,000 diverse surfaces and 85,658 unique configurations.

Single-atom catalysts (SACs) have emerged as frontiers for catalyzing chemical reactions, yet the diverse combinations of active elements and support materials, the nature of coordination environments, elude traditional methodologies in searching optimal SAC systems with superior catalytic performance. Herein, by integrating multi-branch Convolutional Neural Network (CNN) analysis models to hybrid descriptor based activity volcano plot, 2D SAC system composed of diverse metallic single atoms anchored on six type of 2D supports, including graphitic carbon nitride, nitrogen-doped graphene, graphene with dual-vacancy, black phosphorous, boron nitride, and C2N, are screened for efficient CO2RR. Starting from establishing a correlation map between the adsorption energies of intermediates and diverse electronic and elementary descriptors, sole singular descriptor lost magic to predict catalytic activity. Deep learning method utilizing multi-branch CNN model therefore was employed, using 2D electronic density of states as input to predict adsorption energies. Hybrid-descriptor enveloping both C- and O-types of CO2RR intermediates was introduced to construct volcano plots and limiting potential periodic table, aiming for intuitive screening of catalyst candidates for efficient CO2 reduction to CH4. The eDOS occlusion experiments were performed to unravel individual orbital contribution to adsorption energy. To explore the electronic scale principle governing practical engineering catalytic CO2RR activity, orbitalwise eDOS shifting experiments based on CNN model were employed. The study involves examining the adsorption energy and, consequently, catalytic activities while varying supported single atoms. This work offers a tangible framework to inform both theoretical screening and experimental synthesis, thereby paving the way for systematically designing efficient SACs.

Organic Solar Cells are a promising technology for solving the clean energy crisis in the world. However, generating candidate chemical compounds for solar cells is a time-consuming process requiring thousands of hours of laboratory analysis. For a solar cell, the most important property is the power conversion efficiency which is dependent on the highest occupied molecular orbitals (HOMO) values of the donor molecules. Recently, machine learning techniques have proved to be very useful in building predictive models for HOMO values of donor structures of Organic Photovoltaic Cells (OPVs). Since experimental datasets are limited in size, current machine learning models are trained on data derived from calculations based on density functional theory (DFT). Molecular line notations such as SMILES or InChI are popular input representations for describing the molecular structure of donor molecules. The two types of line representations encode different information, such as SMILES defines the bond types while InChi defines protonation. In this work, we present an ensemble deep neural network architecture, called SINet, which harnesses both the SMILES and InChI molecular representations to predict HOMO values and leverage the potential of transfer learning from a sizeable DFT-computed dataset- Harvard CEP to build more robust predictive models for relatively smaller HOPV datasets. Harvard CEP dataset contains molecular structures and properties for 2.3 million candidate donor structures for OPV while HOPV contains DFT-computed and experimental values of 350 and 243 molecules respectively. Our results demonstrate significant performance improvement from the use of transfer learning and leveraging both molecular representations.

We reassess the realistic discovery reach of Solar-System experiments for dark energy (DE) and dark matter (DM), making explicit the bridge from cosmology-level linear responses to local, screened residuals. In scalar-tensor frameworks with a universal conformal coupling A(phi) and chameleon/Vainshtein screening, we map cosmological responses {mu(z,k),Sigma(z,k)} inferred by DESI and Euclid to thin-shell or Vainshtein residuals in deep Solar potentials Phi_N. We emphasize a two-branch strategy. In a detection-first branch, a verified local anomaly -- an Einstein equivalence principle (EEP) violation, a Shapiro-delay signal with |gamma-1|simfewtimes 10^{-6}, an AU-scale Yukawa tail, or a ultralight DM (ULDM) line in clocks/atom interferometers in space (AIS) -- triggers a joint refit of cosmology and Solar-System data under a common microphysical parameterization {V(phi),A(phi)}. In a guardrail branch, Solar-System tests enforce constraints (EEP; PPN parameters gamma,beta; and dot G/G) and close unscreened or weakly screened corners indicated by cosmology. We forecast, per conjunction, |gamma-1|lesssim (2-5)times 10^{-6} (Ka-/X-band or optical Shapiro), eta_{EEP}sim (1--10)times 10^{-17} (drag-free AIS), |dot G/G|sim(3-5)times10^{-15},yr^{-1} (sub-mm-class LLR), a uniform ~2x tightening of AU-scale Yukawa/DM-density bounds, and (3-10)times improved ULDM-coupling reach from clocks. For a conformal benchmark, mu_{ lin,0}=0.10 implies chisimeq mu_{lin,0/2} and a Sun thin shell Delta R/Rlesssim (1/3chi)|gamma-1|/2=2.4times 10^{-3} at |gamma-1|=5times 10^{-6}; Vainshtein screening at 1 AU yields |gamma-1|lesssim 10^{-11}, naturally below near-term reach. We recommend a cost-effective guardrail+discovery portfolio with explicit triggers for escalation to dedicated missions.

Video object detection on edge devices runs computationally expensive detectors over long frame streams, causing high energy consumption and sustained GPU utilization. Although consecutive frames are highly redundant, naive frame skipping is content-blind: it skips during critical moments such as object entry, occlusion recovery, and abrupt motion, degrading detection quality. We present Albireo, a detector-agnostic, codec-free adaptive inference framework that wraps off-the-shelf detectors and decides when detector invocation can be safely skipped based on scene content and per-object temporal state, requiring no detector modification or retraining. Albireo maintains a 10-dimensional Kalman filter (KF) per active object and invokes the detector only when prediction uncertainty exceeds a threshold; on skipped frames, boxes are predicted from the KF state at near-zero GPU cost. A KF-based rescue mechanism preserves confirmed objects through brief detector misses to prevent output fragmentation, while a lightweight empty-scene screen avoids detector calls on objectless frames. We evaluate Albireo on the BDD100K MOT validation split with three architecturally distinct detectors (YOLO11x, YOLO26x, RF-DETR-Large) on two NVIDIA Jetson platforms (AGX Thor, AGX Orin). Across all configurations, Albireo keeps AP@50 within +/-1.2 pp of per-frame inference while reducing total energy by 12.1-17.6%. On YOLO26x, it improves AP@50 by +0.8 pp while reducing energy by 17.6% (Thor) and 14.4% (Orin) and per-frame energy-delay product by 24.9% and 26.1%, respectively. Thus, the default operating point improves accuracy, energy, and latency together. In contrast, FixedSkip-2, a fixed-interval baseline with a 50% skip rate, loses 8.6 pp AP@50. Source code, evaluation pipeline, and per-clip results are available at https://github.com/amirtaherin/albireo

The development of materials science is undergoing a shift from empirical approaches to data-driven and algorithm-oriented research paradigm. The state-of-the-art platforms are confined to inorganic crystals, with limited chemical space, sparse experimental data and a lack of integrated online computation for rapid validation. Here, we introduce the Clean Energy Materials Platform (CEMP), an open-access platform that integrates high-throughput computing workflows, multi-scale machine learning (ML) models and a comprehensive materials database tailored for clean energy applications. A key feature of CEMP is the online calculation module, which enables fully automatic quantum and molecular dynamics simulations via structured table uploads. CEMP harmonizes heterogeneous data from experimental measurements, theoretical calculation and AI-based predictions for four material classes, including small molecules, polymers, ionic liquids, and crystals. The platform hosts ~ 376,000 entries, including ~6,000 experimental records, ~50,000 quantum-chemical calculations and ~320,000 AI-predicted properties. The database covers 12 critical properties and the corresponding ML models demonstrate robust predictive power with R2 ranging from 0.64 to 0.94, thus ensures rapid material screening, structure-property relationship analysis and multi-objective optimization for clean energy applications. CEMP aims to establish a digital ecosystem for clean energy materials, enabling a closed-loop workflow from data acquisition to material discovery and real-time online validation.

Energy-efficient medical data classification is essential for modern disease screening, particularly in home and field healthcare where embedded devices are prevalent. While deep learning models achieve state-of-the-art accuracy, their substantial energy consumption and reliance on GPUs limit deployment on such platforms. We present Hyperdimensional Computing with Class-Wise Clustering (HD3C), a lightweight classification framework designed for low-power environments. HD3C encodes data into high-dimensional hypervectors, aggregates them into multiple cluster-specific prototypes, and performs classification through similarity search in hyperspace. We evaluate HD3C across three medical classification tasks; on heart sound classification, HD3C is 350times more energy-efficient than Bayesian ResNet with less than 1% accuracy difference. Moreover, HD3C demonstrates exceptional robustness to noise, limited training data, and hardware error, supported by both theoretical analysis and empirical results, highlighting its potential for reliable deployment in real-world settings. Code is available at https://github.com/jianglanwei/HD3C.

We introduce the FCHL19 representation for atomic environments in molecules or condensed-phase systems. Machine learning models based on FCHL19 are able to yield predictions of atomic forces and energies of query compounds with chemical accuracy on the scale of milliseconds. FCHL19 is a revision of our previous work [Faber et al. 2018] where the representation is discretized and the individual features are rigorously optimized using Monte Carlo optimization. Combined with a Gaussian kernel function that incorporates elemental screening, chemical accuracy is reached for energy learning on the QM7b and QM9 datasets after training for minutes and hours, respectively. The model also shows good performance for non-bonded interactions in the condensed phase for a set of water clusters with an MAE binding energy error of less than 0.1 kcal/mol/molecule after training on 3,200 samples. For force learning on the MD17 dataset, our optimized model similarly displays state-of-the-art accuracy with a regressor based on Gaussian process regression. When the revised FCHL19 representation is combined with the operator quantum machine learning regressor, forces and energies can be predicted in only a few milliseconds per atom. The model presented herein is fast and lightweight enough for use in general chemistry problems as well as molecular dynamics simulations.

Experiments in recent years on high T_c superconductors find a puzzling nodal scale-covariant self-energy with an exponent varying continuously with doping. We propose a mechanism: nonlocality induced by poorly screened effective repulsions V_α(r) sim 1/r^α, where a continuously doping-dependent exponent 1 le αle 3 naturally interpolates between the Mott insulating and Fermi liquid limits. We develop a phenomenology of hydrodynamic screening, finding a scale-covariant quasiparticle decay rate Γ(ω,T) propto T^γ Φ(ω/T) in energy ω and temperature T, with γ= 2-1α for nonlocal 1 < α< 2. Our results naturally capture the optimally doped to overdoped regimes, whereas the underdoped regime is qualitatively distinct. In our theory, spectroscopy-fitted exponents directly probe the charged fluid's effective spatial nonlocality. Nonlocality shows that quantum criticality is not necessary to explain scale-covariant phenomena.

The transition from the superconducting to the normal state in a magnetic field was considered as a irreversible thermodynamic process before 1933 because of Joule heating. But all physicists became to consider this transition as reversible after 1933 because of the obvious contradiction of the Meissner effect with the second law of thermodynamics if this transition is considered as a irreversible process. This radical change of the opinion contradicted logic since the dissipation of the kinetic energy of the surface screening current into Joule heat in the normal state cannot depend on how this current appeared in the superconducting state. The inconsistency of the conventional theory of superconductivity, created in the framework of the equilibrium thermodynamics, with Joule heating, on which Jorge Hirsch draws reader's attention, is a consequence of this history. In order to avoid contradiction with the second law of thermodynamics, physicists postulated in the thirties of the last century that the surface screening current is damped without the generation of Joule heat. This postulate contradicts not only logic and the conventional theory of superconductivity but also experimental results.

Intelligence appears under different names in different fields: as data compression in statistics and machine learning, as universal computation in dynamical systems, and as adaptive behavior in agents. Each field carries its own objective, and the two most influential drives often fail in mirror image: novelty search, which seeks surprise, is transfixed by a noisy television screen, while the free-energy principle, which avoids surprise, is most content in a dark room. Both failures have a single cause: each objective treats as one quantity the surprise a learner can convert into knowledge and the surprise it never can. Here we show that the learnable part of that information, which we call learnable novelty, yields the seemingly disparate projections of intelligence, and we give a closed-form estimator of it built on a cheap and differentiable reservoir computer. Used as a measure, with no supervision of any kind, the estimator recovers decades of complexity classification, ranking the Turing-complete rule~110 highest among the elementary cellular automata. Used as an objective, its gradient carries a neural cellular automaton from simple dynamics into a regime of solitons, the traveling, colliding structures by which rule~110 computes, as well as organizes the representation of an image encoder around the ten digit classes of MNIST, fully unsupervised: no label ever enters training. Handed to a reinforcement-learning agent as an intrinsic reward, it supplies the exploration that task rewards lack, improving on the task baseline in nine of ten environments and collapsing in none. Complexity generation, abstraction, and exploration, ordinarily pursued with unrelated objectives in separate fields, thus emerge from ascent on one differentiable quantity, and the projections of intelligence gain a common quantitative footing.

Graphical models are widely used in science to represent joint probability distributions with an underlying conditional dependence structure. The inverse problem of learning a discrete graphical model given i.i.d samples from its joint distribution can be solved with near-optimal sample complexity using a convex optimization method known as Generalized Regularized Interaction Screening Estimator (GRISE). But the computational cost of GRISE becomes prohibitive when the energy function of the true graphical model has higher-order terms. We introduce NeurISE, a neural net based algorithm for graphical model learning, to tackle this limitation of GRISE. We use neural nets as function approximators in an Interaction Screening objective function. The optimization of this objective then produces a neural-net representation for the conditionals of the graphical model. NeurISE algorithm is seen to be a better alternative to GRISE when the energy function of the true model has a high order with a high degree of symmetry. In these cases NeurISE is able to find the correct parsimonious representation for the conditionals without being fed any prior information about the true model. NeurISE can also be used to learn the underlying structure of the true model with some simple modifications to its training procedure. In addition, we also show a variant of NeurISE that can be used to learn a neural net representation for the full energy function of the true model.

Two critical limitations of organic-inorganic lead halide perovskite materials for solar cells are their poor stability in humid environments and inclusion of toxic lead. In this study, high-throughput density functional theory (DFT) methods are used to computationally model and screen 1845 halide perovskites in search of new materials without these limitations that are promising for solar cell applications. This study focuses on finding materials that are comprised of nontoxic elements, stable in a humid operating environment, and have an optimal bandgap for one of single junction, tandem Si-perovskite, or quantum dot-based solar cells. Single junction materials are also screened on predicted single junction photovoltaic (PV) efficiencies exceeding 22.7%, which is the current highest reported PV efficiency for halide perovskites. Generally, these methods qualitatively reproduce the properties of known promising nontoxic halide perovskites that have either been experimentally evaluated or predicted from theory. From a set of 1845 materials, 15 materials pass all screening criteria for single junction cell applications, 13 of which have not been previously investigated, such as (CH3NH3)0.75Cs0.25SnI3, ((NH2)2CH)Ag0.5Sb0.5Br3, CsMn0.875Fe0.125I3, ((CH3)2NH2)Ag0.5Bi0.5I3, and ((NH2)2CH)0.5Rb0.5SnI3. These materials, together with others predicted in this study, may be promising candidate materials for stable, highly efficient, and non-toxic perovskite-based solar cells.

The search for low-cost, durable, and effective catalysts is essential for green hydrogen production and carbon dioxide upcycling to help in the mitigation of climate change. Discovery of new catalysts is currently limited by the gap between what AI-accelerated computational models predict and what experimental studies produce. To make progress, large and diverse experimental datasets are needed that are reproducible and tested at industrially-relevant conditions. We address these needs by utilizing a comprehensive high-throughput characterization and experimental pipeline to create the Open Catalyst Experiments 2024 (OCX24) dataset. The dataset contains 572 samples synthesized using both wet and dry methods with X-ray fluorescence and X-ray diffraction characterization. We prepared 441 gas diffusion electrodes, including replicates, and evaluated them using zero-gap electrolysis for carbon dioxide reduction (CO_2RR) and hydrogen evolution reactions (HER) at current densities up to 300 mA/cm^2. To find correlations with experimental outcomes and to perform computational screens, DFT-verified adsorption energies for six adsorbates were calculated on sim20,000 inorganic materials requiring 685 million AI-accelerated relaxations. Remarkably from this large set of materials, a data driven Sabatier volcano independently identified Pt as being a top candidate for HER without having any experimental measurements on Pt or Pt-alloy samples. We anticipate the availability of experimental data generated specifically for AI training, such as OCX24, will significantly improve the utility of computational models in selecting materials for experimental screening.

Pan-cancer screening in large-scale CT scans remains challenging for existing AI methods, primarily due to the difficulty of localizing diverse types of tiny lesions in large CT volumes. The extreme foreground-background imbalance significantly hinders models from focusing on diseased regions, while redundant focus on healthy regions not only decreases the efficiency but also increases false positives. Inspired by radiologists' glance and focus diagnostic strategy, we introduce GF-Screen, a Glance and Focus reinforcement learning framework for pan-cancer screening. GF-Screen employs a Glance model to localize the diseased regions and a Focus model to precisely segment the lesions, where segmentation results of the Focus model are leveraged to reward the Glance model via Reinforcement Learning (RL). Specifically, the Glance model crops a group of sub-volumes from the entire CT volume and learns to select the sub-volumes with lesions for the Focus model to segment. Given that the selecting operation is non-differentiable for segmentation training, we propose to employ the segmentation results to reward the Glance model. To optimize the Glance model, we introduce a novel group relative learning paradigm, which employs group relative comparison to prioritize high-advantage predictions and discard low-advantage predictions within sub-volume groups, not only improving efficiency but also reducing false positives. In this way, for the first time, we effectively extend cutting-edge RL techniques to tackle the specific challenges in pan-cancer screening. Extensive experiments on 16 internal and 7 external datasets across 9 lesion types demonstrated the effectiveness of GF-Screen. Notably, GF-Screen leads the public validation leaderboard of MICCAI FLARE25 pan-cancer challenge, surpassing the FLARE24 champion solution by a large margin (+25.6% DSC and +28.2% NSD).