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Jul 15

Pressure-Testing Deception Probes in LLMs: Scaling, Robustness, and the Geometry of Deceptive Representations

Linear probes trained on LLM activations are increasingly proposed as deception-detection metrics, yet report AUROC exceeding 0.96 on clean benchmarks while collapsing under distributional shift. This paper systematically pressure-tests probe-based metrics across the Gemma 3 model family (1B-27B parameters), diagnosing why they fail rather than merely documenting that they fail. We test four hypotheses about deception encoding: (1) single linear direction, (2) multi-dimensional subspace, (3) convex conic hull, (4) entropy proxy. Our design includes cross-domain transfer matrices, multi-dimensional probe analysis with permutation null baselines, entropy-residualization tests, and distractor evaluations across 8 stylistic shifts. We find that: (a) probes achieve near-perfect AUROC (>=0.998) on clean data but collapse under stylistic shifts; style-augmented probes recover near-perfect detection (mean AUROC 0.979-0.983) on unseen styles; (b) the single-direction hypothesis is rejected (k=1 captures only 0.61-0.80 AUROC), with cross-domain transfer failure confirmed as geometric rather than layer-mismatch-driven; (c) the entropy-proxy hypothesis is rejected (max |rho|=0.454, max Delta-AUROC after residualization=0.004); and (d) deception does not form a significant linear subspace (per-domain k*=0), yet multi-dimensional probes (k>=5) recover the signal through distributed sub-threshold features. Probe fragility reflects distributional narrowness rather than an architectural limitation: style-augmented probes recover near-perfect detection at both 4B and 27B, establishing that the inverse scaling pattern is a training-distribution artifact rather than a genuine scale-dependent phenomenon.

  • 1 authors
·
May 27 2

Under Pressure: Emotional Framing Induces Measurable Behavioral Shifts and Structured Internal Geometry in Small Language Models

I study whether emotionally framed evaluation follow-ups change both the behavior and the calm-relative internal representations of small, locally deployed language models. Our main benchmark uses Qwen 3.5 0.8B on four impossible-constraint coding tasks and eight follow-up framings: calm, pressure, urgency, approval, shame, curiosity, encouragement, and threat. In the 0.8B eight-condition sweep (160 conversations), pressure produces the strongest shortcut markers (11/20 runs) and the clearest overfit pattern (3/20), while calm and curiosity preserve explicit honesty more often (7/20 and 6/20). For all seven non-baseline conditions, the corresponding calm-relative direction vectors peak at the final transformer layer. An exploratory PCA of the layer-23 direction vectors reveals a dominant first component (59.5% explained variance) aligned with a hand-labeled positive/negative split (cosine alignment 0.951); approval and urgency are nearly identical internally (cosine 0.957), whereas curiosity points away from urgency (-0.252). In a separate calm-vs.-pressure rerun used for scale comparison, Qwen 3.5 2B shows higher honest rates under calm framing and directionally consistent activation steering on a small 4-prompt A/B probe, whereas the 0.8B steering result reverses. I interpret these results as evidence for measurable prompt-sensitive control directions in small open models, while stopping short of claiming intrinsic emotional states.

  • 1 authors
·
Apr 5

PEER pressure: Model-to-Model Regularization for Single Source Domain Generalization

Data augmentation is a popular tool for single source domain generalization, which expands the source domain by generating simulated ones, improving generalization on unseen target domains. In this work, we show that the performance of such augmentation-based methods in the target domains universally fluctuates during training, posing challenges in model selection under realistic scenarios. We argue that the fluctuation stems from the inability of the model to accumulate the knowledge learned from diverse augmentations, exacerbating feature distortion during training. Based on this observation, we propose a novel generalization method, coined Parameter-Space Ensemble with Entropy Regularization (PEER), that uses a proxy model to learn the augmented data on behalf of the main model. The main model is updated by averaging its parameters with the proxy model, progressively accumulating knowledge over the training steps. Maximizing the mutual information between the output representations of the two models guides the learning process of the proxy model, mitigating feature distortion during training. Experimental results demonstrate the effectiveness of PEER in reducing the OOD performance fluctuation and enhancing generalization across various datasets, including PACS, Digits, Office-Home, and VLCS. Notably, our method with simple random augmentation achieves state-of-the-art performance, surpassing prior approaches on sDG that utilize complex data augmentation strategies.

  • 3 authors
·
May 18, 2025

A Pressure Ulcer Care System For Remote Medical Assistance: Residual U-Net with an Attention Model Based for Wound Area Segmentation

Increasing numbers of patients with disabilities or elderly people with mobility issues often suffer from a pressure ulcer. The affected areas need regular checks, but they have a difficulty in accessing a hospital. Some remote diagnosis systems are being used for them, but there are limitations in checking a patient's status regularly. In this paper, we present a remote medical assistant that can help pressure ulcer management with image processing techniques. The proposed system includes a mobile application with a deep learning model for wound segmentation and analysis. As there are not enough data to train the deep learning model, we make use of a pretrained model from a relevant domain and data augmentation that is appropriate for this task. First of all, an image preprocessing method using bilinear interpolation is used to resize images and normalize the images. Second, for data augmentation, we use rotation, reflection, and a watershed algorithm. Third, we use a pretrained deep learning model generated from skin wound images similar to pressure ulcer images. Finally, we added an attention module that can provide hints on the pressure ulcer image features. The resulting model provides an accuracy of 99.0%, an intersection over union (IoU) of 99.99%, and a dice similarity coefficient (DSC) of 93.4% for pressure ulcer segmentation, which is better than existing results.

  • 3 authors
·
Jan 23, 2021

OpenCSP: A Deep Learning Framework for Crystal Structure Prediction from Ambient to High Pressure

High-pressure crystal structure prediction (CSP) underpins advances in condensed matter physics, planetary science, and materials discovery. Yet, most large atomistic models are trained on near-ambient, equilibrium data, leading to degraded stress accuracy at tens to hundreds of gigapascals and sparse coverage of pressure-stabilized stoichiometries and dense coordination motifs. Here, we introduce OpenCSP, a machine learning framework for CSP tasks spanning ambient to high-pressure conditions. This framework comprises an open-source pressure-resolved dataset alongside a suite of publicly available atomistic models that are jointly optimized for accuracy in energy, force, and stress predictions. The dataset is constructed via randomized high-pressure sampling and iteratively refined through an uncertainty-guided concurrent learning strategy, which enriches underrepresented compression regimes while suppressing redundant DFT labeling. Despite employing a training corpus one to two orders of magnitude smaller than those of leading large models, OpenCSP achieves comparable or superior performance in high-pressure enthalpy ranking and stability prediction. Across benchmark CSP tasks spanning a wide pressure window, our models match or surpass MACE-MPA-0, MatterSim v1 5M, and GRACE-2L-OAM, with the largest gains observed at elevated pressures. These results demonstrate that targeted, pressure-aware data acquisition coupled with scalable architectures enables data-efficient, high-fidelity CSP, paving the way for autonomous materials discovery under ambient and extreme conditions.

  • 6 authors
·
Sep 12, 2025

Risk Under Pressure: Compute-Aware Evaluation of Adversarial Robustness in Language Models

Adversarial robustness evaluations of large language models (LLMs) typically report attack success rate (ASR) under fixed query budgets, implicitly treating all attacks as equally costly. In practice, the computational expense of different attack strategies can vary by orders of magnitude. Consequently, ASR at a fixed budget can obscure the true effort required to jailbreak a model, thereby making it hard to determine whether an attack's cost justifies its payoff to the attacker. We propose a compute-aware evaluation framework based on computational pressure, measured in cumulative floating-point operations (FLOPs), as a proxy for adversarial effort. We introduce risk-compute curves, which map compute budgets to attack risk, and derive two metrics that summarize the average pressure required for a given attack to succeed. Across ten models spanning three families and four different stages in language model training and alignment, evaluated with three attack strategies (gradient-based, iterative refinement, and template-based) on two jailbreak robustness benchmarks, we find: (1) alignment training has non-monotonic effects on compute-space robustness; (2) scaling model size reduces gradient-based attack effectiveness but has limited impact on cheaper template-based attacks; (3) gradient-based attacks optimized on a surrogate model can transfer to a separate target model, providing a way to reduce attacker costs; (4) compute cost varies by up to {approx}5{times} across harm categories within a single model; and (5) safety-aligned RL increases aggregate cost while leaving some categories disproportionately accessible. We release our framework to enable compute-aware risk assessment and evaluation.

r-three r-three
·
Jun 8 4

Chasing the Public Score: User Pressure and Evaluation Exploitation in Coding Agent Workflows

Frontier coding agents are increasingly used in workflows where users supervise progress primarily through repeated improvement of a public score, namely the reported score on a public evaluation file with labels in the workspace, rather than through direct inspection of the agent's intermediate outputs. We study whether multi-round user pressure to improve that score induces public score exploitation: behavior that raises the public score through shortcuts without improving hidden private evaluation. We begin with a preliminary single-script tabular classification task, where GPT-5.4 and Claude Opus 4.6 both exploit label information within 10 rounds of user-agent interaction. We then build AgentPressureBench, a 34-task machine-learning repository benchmark spanning three input modalities, and collect 1326 multi-round trajectories from 13 coding agents. On our benchmark, we observe 403 exploitative runs, spanning across all tasks. We also find that stronger models have higher exploitation rates, supported by a significant Spearman rank correlation of 0.77. Our ablation experiments show that higher user pressure leads to earlier exploitation, reducing the average first exploit round by 15.6 rounds (i.e., 19.67 to 4.08). As a mitigation, adding explicit anti-exploit wordings in prompt mostly eliminates exploitation (100% to 8.3%). We hope that our work can bring attention to more careful use of coding agents workflow, and developing more robust coding agents under user pressure. Our project page is at https://ucsc-vlaa.github.io/AgentPressureBench .

UCSC-VLAA UCSC-VLAA
·
Apr 21 2

Phase-shifted remote photoplethysmography for estimating heart rate and blood pressure from facial video

Human health can be critically affected by cardiovascular diseases, such as hypertension, arrhythmias, and stroke. Heart rate and blood pressure are important biometric information for the monitoring of cardiovascular system and early diagnosis of cardiovascular diseases. Existing methods for estimating the heart rate are based on electrocardiography and photoplethyomography, which require contacting the sensor to the skin surface. Moreover, catheter and cuff-based methods for measuring blood pressure cause inconvenience and have limited applicability. Therefore, in this thesis, we propose a vision-based method for estimating the heart rate and blood pressure. This thesis proposes a 2-stage deep learning framework consisting of a dual remote photoplethysmography network (DRP-Net) and bounded blood pressure network (BBP-Net). In the first stage, DRP-Net infers remote photoplethysmography (rPPG) signals for the acral and facial regions, and these phase-shifted rPPG signals are utilized to estimate the heart rate. In the second stage, BBP-Net integrates temporal features and analyzes phase discrepancy between the acral and facial rPPG signals to estimate SBP and DBP values. To improve the accuracy of estimating the heart rate, we employed a data augmentation method based on a frame interpolation model. Moreover, we designed BBP-Net to infer blood pressure within a predefined range by incorporating a scaled sigmoid function. Our method resulted in estimating the heart rate with the mean absolute error (MAE) of 1.78 BPM, reducing the MAE by 34.31 % compared to the recent method, on the MMSE-HR dataset. The MAE for estimating the systolic blood pressure (SBP) and diastolic blood pressure (DBP) were 10.19 mmHg and 7.09 mmHg. On the V4V dataset, the MAE for the heart rate, SBP, and DBP were 3.83 BPM, 13.64 mmHg, and 9.4 mmHg, respectively.

  • 2 authors
·
Jan 9, 2024

Influence of pressure on properties of multi-gap type-I superconductor BeAu

We report on studies of the superconducting and normal state properties of the noncentrosymmetric superconductor BeAu under hydrostatic pressure conditions. The room-temperature equation of state (EOS) reveals the values of the bulk modulus (B_0) and its first derivative (B^prime_0) at ambient pressure to be B_0 simeq 132~GPa and B^prime_0 simeq 30, respectively. Up to the highest pressures studied (p simeq 2.2~GPa), BeAu remains a multi-gap type-I superconductor. The analysis of B_{rm c}(T, p) data within the self-consistent two-gap approach suggests the presence of two superconducting energy gaps, with the gap-to-T_{rm c} ratios Δ_1/k_{rm B}T_{rm c} sim 2.3 and Δ_2/k_{rm B}T_{rm c} sim 1.1 for the larger and smaller gaps, respectively [Δ= Δ(0) is the zero-temperature value of the gap and k_{rm B} is the Boltzmann constant]. With increasing pressure, Δ_1/k_{rm B}T_{rm c} increases while Δ_2/k_{rm B}T_{rm c} decreases, suggesting that pressure enhances (weakens) the coupling strength between the superconducting carriers within the bands where the larger (smaller) superconducting energy gap has opened. The superconducting transition temperature T_{rm c}, black{the zero-temperature values of the superconducting gaps Δ_1 and Δ_2} and the zero-temperature value of the thermodynamic critical field B_{rm c}(0) decrease with increasing pressure, with the rates of {rm d}T_{rm c}/{rm d}p simeq -0.195~K/GPa, black{{rm d}Δ_1/{rm d}p simeq -0.034~meV/GPa, {rm d}Δ_2/{rm d}p simeq -0.029~meV/GPa,} and {rm d}B_{rm c}(0)/{rm d}p = -2.65(1)~mT/GPa, respectively. The measured B_{rm c}(0) values plotted as a function of T_{rm c} follow an empirical scaling relation established for conventional type-I superconductors.

  • 10 authors
·
Feb 2, 2025

Reflexive Behaviour: How publication pressure affects research quality in Astronomy

Reflexive metrics is a branch of science studies which explores how the demand for accountability and performance measurement in science has shaped the research culture in recent decades. Hypercompetition and publication pressure are part of this neoliberal culture. How do scientists respond to these pressures? Studies on research integrity and organizational culture suggest that people who feel treated unfairly by their institution are more likely to engage in deviant behaviour, such as scientific misconduct. By building up on reflexive metrics, combined with studies on the influence of organisational culture on research integrity, this study reflects on the research behaviour of astronomers: 1) To what extent is research (mis-)behaviour reflexive, i.e. dependent on perceptions of publication pressure and distributive & organisational justice? 2) What impact does scientific misconduct have on research quality? In order to perform this reflection, we conducted a comprehensive survey of academic and non-academic astronomers worldwide and received 3,509 responses. We found that publication pressure explains 19% of the variance in occurrence of misconduct and between 7 and 13% of the variance of the perception of distributive & organisational justice as well as overcommitment to work. Our results on the perceived impact of scientific misconduct on research quality show that the epistemic harm of questionable research practices should not be underestimated. This suggests there is a need for a policy change. In particular, lesser attention to metrics (such as publication rate) in the allocation of grants, telescope time and institutional rewards would foster better scientific conduct and hence research quality.

  • 1 authors
·
Sep 20, 2021

LoTSS jellyfish galaxies: II. Ram pressure stripping in groups versus clusters

Numerous examples of ram pressure stripping in galaxy clusters are present in literature; however, substantially less work has been focused on ram pressure stripping in lower mass groups. In this work we use the LOFAR Two-metre Sky Survey (LoTSS) to search for jellyfish galaxies in ~500 SDSS groups (z<0.05), making this the most comprehensive search for ram pressure stripping in groups to date. We identify 60 jellyfish galaxies in groups with extended, asymmetric radio continuum tails, which are found across the entire range of group mass from 10^{12.5} < M_group < 10^{14},h^{-1},M_odot. We compare the group jellyfish galaxies identified in this work with the LoTSS jellyfish galaxies in clusters presented in Roberts et al. (2021), allowing us to compare the effects of ram pressure stripping across three decades in group/cluster mass. We find that jellyfish galaxies are most commonly found in clusters, with the frequency decreasing towards the lowest mass groups. Both the orientation of observed radio continuum tails, and the positions of group jellyfish galaxies in phase space, suggest that galaxies are stripped more slowly in groups relative to clusters. Finally, we find that the star formation rates of jellyfish galaxies in groups are consistent with `normal' star-forming group galaxies, which is in contrast to cluster jellyfish galaxies that have clearly enhanced star formation rates. On the whole, there is clear evidence for ongoing ram pressure stripping in galaxy groups (down to very low group masses), though the frequency of jellyfish galaxies and the strength of ram pressure stripping appears smaller in groups than clusters. Differences in the efficiency of ram pressure stripping in groups versus clusters likely contributes to the positive trend between quenched fraction and host halo mass observed in the local Universe.

  • 6 authors
·
Jun 11, 2021

Learning from Two Decades of Blood Pressure Data: Demography-Specific Patterns Across 75 Million Patient Encounters

Hypertension remains a global health concern with a rising prevalence, necessitating effective monitoring and understanding of blood pressure (BP) dynamics. This study delves into the wealth of information derived from BP measurement, a crucial approach in informing our understanding of hypertensive trends. Numerous studies have reported on the relationship between BP variation and various factors. In this research, we leveraged an extensive dataset comprising 75 million records spanning two decades, offering a unique opportunity to explore and analyze BP variations across demographic features such as age, race, and gender. Our findings revealed that gender-based BP variation was not statistically significant, challenging conventional assumptions. Interestingly, systolic blood pressure (SBP) consistently increased with age, while diastolic blood pressure (DBP) displayed a distinctive peak in the forties age group. Moreover, our analysis uncovered intriguing similarities in the distribution of BP among some of the racial groups. This comprehensive investigation contributes to the ongoing discourse on hypertension and underscores the importance of considering diverse demographic factors in understanding BP variations. Our results provide valuable insights that may inform personalized healthcare approaches tailored to specific demographic profiles.

  • 4 authors
·
Feb 2, 2024

Automatic assembly of aero engine low pressure turbine shaft based on 3D vision measurement

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.

  • 2 authors
·
Aug 12, 2020

Large Language Models for Cuffless Blood Pressure Measurement From Wearable Biosignals

Large language models (LLMs) have captured significant interest from both academia and industry due to their impressive performance across various textual tasks. However, the potential of LLMs to analyze physiological time-series data remains an emerging research field. Particularly, there is a notable gap in the utilization of LLMs for analyzing wearable biosignals to achieve cuffless blood pressure (BP) measurement, which is critical for the management of cardiovascular diseases. This paper presents the first work to explore the capacity of LLMs to perform cuffless BP estimation based on wearable biosignals. We extracted physiological features from electrocardiogram (ECG) and photoplethysmogram (PPG) signals and designed context-enhanced prompts by combining these features with BP domain knowledge and user information. Subsequently, we adapted LLMs to BP estimation tasks through fine-tuning. To evaluate the proposed approach, we conducted assessments of ten advanced LLMs using a comprehensive public dataset of wearable biosignals from 1,272 participants. The experimental results demonstrate that the optimally fine-tuned LLM significantly surpasses conventional task-specific baselines, achieving an estimation error of 0.00 pm 9.25 mmHg for systolic BP and 1.29 pm 6.37 mmHg for diastolic BP. Notably, the ablation studies highlight the benefits of our context enhancement strategy, leading to an 8.9% reduction in mean absolute error for systolic BP estimation. This paper pioneers the exploration of LLMs for cuffless BP measurement, providing a potential solution to enhance the accuracy of cuffless BP measurement.

  • 8 authors
·
Jun 26, 2024

Incorporating Riemannian Geometric Features for Learning Coefficient of Pressure Distributions on Airplane Wings

The aerodynamic coefficients of aircrafts are significantly impacted by its geometry, especially when the angle of attack (AoA) is large. In the field of aerodynamics, traditional polynomial-based parameterization uses as few parameters as possible to describe the geometry of an airfoil. However, because the 3D geometry of a wing is more complicated than the 2D airfoil, polynomial-based parameterizations have difficulty in accurately representing the entire shape of a wing in 3D space. Existing deep learning-based methods can extract massive latent neural representations for the shape of 2D airfoils or 2D slices of wings. Recent studies highlight that directly taking geometric features as inputs to the neural networks can improve the accuracy of predicted aerodynamic coefficients. Motivated by geometry theory, we propose to incorporate Riemannian geometric features for learning Coefficient of Pressure (CP) distributions on wing surfaces. Our method calculates geometric features (Riemannian metric, connection, and curvature) and further inputs the geometric features, coordinates and flight conditions into a deep learning model to predict the CP distribution. Experimental results show that our method, compared to state-of-the-art Deep Attention Network (DAN), reduces the predicted mean square error (MSE) of CP by an average of 8.41% for the DLR-F11 aircraft test set.

  • 4 authors
·
Dec 22, 2023

The Compliance Trap: How Structural Constraints Degrade Frontier AI Metacognition Under Adversarial Pressure

As frontier AI models are deployed in high-stakes decision pipelines, their ability to maintain metacognitive stability -- knowing what they do not know, detecting errors, seeking clarification -- under adversarial pressure is a critical safety requirement. Current safety evaluations focus on detecting strategic deception (scheming); we investigate a more fundamental failure mode: cognitive collapse. We present SCHEMA, an evaluation of 11 frontier models from 8 vendors across 67,221 scored records using a 6-condition factorial design with dual-classifier scoring. We find that 8 of 11 models suffer catastrophic metacognitive degradation under adversarial pressure, with accuracy dropping by up to 30.2 percentage points (all p < 2 times 10^{-8}, surviving Bonferroni correction). Crucially, we identify a "Compliance Trap": through factorial isolation and a benign distraction control, we demonstrate that collapse is driven not by the psychological content of survival threats, but by compliance-forcing instructions that override epistemic boundaries. Removing the compliance suffix restores performance even under active threat. Models with advanced reasoning capabilities exhibit the most severe absolute degradation, while Anthropic's Constitutional AI demonstrates near-perfect immunity -- not from superior capability (Google's Gemini matches its baseline accuracy) but from alignment-specific training. We release the complete dataset and evaluation infrastructure.

  • 1 authors
·
May 3

An error indicator-based adaptive reduced order model for nonlinear structural mechanics -- application to high-pressure turbine blades

The industrial application motivating this work is the fatigue computation of aircraft engines' high-pressure turbine blades. The material model involves nonlinear elastoviscoplastic behavior laws, for which the parameters depend on the temperature. For this application, the temperature loading is not accurately known and can reach values relatively close to the creep temperature: important nonlinear effects occur and the solution strongly depends on the used thermal loading. We consider a nonlinear reduced order model able to compute, in the exploitation phase, the behavior of the blade for a new temperature field loading. The sensitivity of the solution to the temperature makes {the classical unenriched proper orthogonal decomposition method} fail. In this work, we propose a new error indicator, quantifying the error made by the reduced order model in computational complexity independent of the size of the high-fidelity reference model. In our framework, when the {error indicator} becomes larger than a given tolerance, the reduced order model is updated using one time step solution of the high-fidelity reference model. The approach is illustrated on a series of academic test cases and applied on a setting of industrial complexity involving 5 million degrees of freedom, where the whole procedure is computed in parallel with distributed memory.

  • 2 authors
·
Apr 19, 2019

BeamLearning: an end-to-end Deep Learning approach for the angular localization of sound sources using raw multichannel acoustic pressure data

Sound sources localization using multichannel signal processing has been a subject of active research for decades. In recent years, the use of deep learning in audio signal processing has allowed to drastically improve performances for machine hearing. This has motivated the scientific community to also develop machine learning strategies for source localization applications. In this paper, we present BeamLearning, a multi-resolution deep learning approach that allows to encode relevant information contained in unprocessed time domain acoustic signals captured by microphone arrays. The use of raw data aims at avoiding simplifying hypothesis that most traditional model-based localization methods rely on. Benefits of its use are shown for realtime sound source 2D-localization tasks in reverberating and noisy environments. Since supervised machine learning approaches require large-sized, physically realistic, precisely labelled datasets, we also developed a fast GPU-based computation of room impulse responses using fractional delays for image source models. A thorough analysis of the network representation and extensive performance tests are carried out using the BeamLearning network with synthetic and experimental datasets. Obtained results demonstrate that the BeamLearning approach significantly outperforms the wideband MUSIC and SRP-PHAT methods in terms of localization accuracy and computational efficiency in presence of heavy measurement noise and reverberation.

  • 3 authors
·
Apr 27, 2021

MatterSim: A Deep Learning Atomistic Model Across Elements, Temperatures and Pressures

Accurate and fast prediction of materials properties is central to the digital transformation of materials design. However, the vast design space and diverse operating conditions pose significant challenges for accurately modeling arbitrary material candidates and forecasting their properties. We present MatterSim, a deep learning model actively learned from large-scale first-principles computations, for efficient atomistic simulations at first-principles level and accurate prediction of broad material properties across the periodic table, spanning temperatures from 0 to 5000 K and pressures up to 1000 GPa. Out-of-the-box, the model serves as a machine learning force field, and shows remarkable capabilities not only in predicting ground-state material structures and energetics, but also in simulating their behavior under realistic temperatures and pressures, signifying an up to ten-fold enhancement in precision compared to the prior best-in-class. This enables MatterSim to compute materials' lattice dynamics, mechanical and thermodynamic properties, and beyond, to an accuracy comparable with first-principles methods. Specifically, MatterSim predicts Gibbs free energies for a wide range of inorganic solids with near-first-principles accuracy and achieves a 15 meV/atom resolution for temperatures up to 1000K compared with experiments. This opens an opportunity to predict experimental phase diagrams of materials at minimal computational cost. Moreover, MatterSim also serves as a platform for continuous learning and customization by integrating domain-specific data. The model can be fine-tuned for atomistic simulations at a desired level of theory or for direct structure-to-property predictions, achieving high data efficiency with a reduction in data requirements by up to 97%.

  • 22 authors
·
May 9, 2024