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Logical predictions about relationships between school aptitude and standardized achievement, aptitude and teachers' grades, and teachers' grades and standardized achievement can be made from the literature. These predictions are that (1) conventional school aptitude measures should predict standardized achievement test scores equally well for boys and girls but better for advantaged than disadvantaged children; (2) teachers' marks are more accurate for girls than for boys when judged against the sexes' standardized achievement test scores; are more accurate for middle-class than for disadvantaged children; and are least accurate for disadvantaged black males; and (3) teachers consistently give girls higher grades than boys but there are no important differences between boys' and girls' achievement when measured by standard achievement tests. The present study was conducted to test the strength of the relationships between pupil aptitude, standardized achievement and teachers' grades and to determine the percent of variance in grade point average accounted for by aptitude and standardized achievement in a representative sample of fifth- and ninth-grade Mexican-American, Black and Anglo students. (Author/RC)

Presented is the final report of Project CHILD, a research effort to develop and validate screening procedures for the identification of language disabled (LD) children, three intervention models for LD children, and a competency based teacher education model. In the two phases of the first study, a battery of screening tests was evaluated with a total of approximately 8,400 elementary grade children. Results led to the recommendation of the LD Screen-Pupil Behavior and LD Screen-Syllabication instruments as efficient screening tests. In the second study, on intervention models, the effectiveness with 210 LD children in 18 classrooms of the following three models was compared: Alphabetic, Phonetic, Structured Linguistic (APSL); Programed Instruction; and Individually Prescribed Program. Results indicated that the APSL approach was slightly more effective with low achieving students and that students in all three programs had positive attitudes. In the final study, a performance based staff development program was evaluated with 14 resource teachers and three regular teachers. Results showed that LD children taught by the teachers in the experimental staff development program demonstrated higher academic achievement and more positive attitudes than students of teachers in the control group. (DB)

Our look at the well-being of California's early educators points to the need to consider work environments in early care and education (ECE) policy development. The learning environments of young children are also the work environments of the ECE workforce. Supportive and safe work environments that foster a respectful workplace climate can enhance educators' practice, professional esteem, and job satisfaction. This is the second of three reports, drawn from our statewide survey of nearly 1,800 early educators. Our findings show that: (1) Though the majority of early educators find satisfaction and reward from their work with children, many feel their work is not respected; (2) Despite their dedication to their profession, many educators encounter inadequate work environments: more than two thirds of center teachers are given duties no one else wants, and nearly a tenth have been the target of racial slurs at work; and (3) Working with children with challenging behaviors, finding planning time and spending time with individual children are common classroom challenges.

In this paper, we design an exclusive Metaverse network traffic classifier, named Discern-XR, to help Internet service providers (ISP) and router manufacturers enhance the quality of Metaverse services. Leveraging segmented learning, the Frame Vector Representation (FVR) algorithm and Frame Identification Algorithm (FIA) are proposed to extract critical frame-related statistics from raw network data having only four application-level features. A novel Augmentation, Aggregation, and Retention Online Training (A2R-OT) algorithm is proposed to find an accurate classification model through online training methodology. In addition, we contribute to the real-world Metaverse dataset comprising virtual reality (VR) games, VR video, VR chat, augmented reality (AR), and mixed reality (MR) traffic, providing a comprehensive benchmark. Discern-XR outperforms state-of-the-art classifiers by 7% while improving training efficiency and reducing false-negative rates. Our work advances Metaverse network traffic classification by standing as the state-of-the-art solution.

Galaxy mergers are a key driver of galaxy formation and evolution, including the triggering of AGN and star formation to a still unknown degree. We thus investigate the impact of galaxy mergers on star formation and AGN activity using a sample of 3,330 galaxies at $z = [4.5, 8.5]$ from eight JWST fields (CEERS, JADES GOODS-S, NEP-TDF, NGDEEP, GLASS, El-Gordo, SMACS-0723, and MACS-0416), collectively covering an unmasked area of 189 arcmin$^2$. We focuses on star formation rate (SFR) enhancement, AGN fraction, and AGN excess in major merger ($\mu > 1/4$) close-pair samples, defined by $\Delta z < 0.3$ and projected separations $r_p < 100$ kpc, compared to non-merger samples. We find that SFR enhancement occurs only at $r_p < 20$ kpc, with values of $0.25 \pm 0.10$ dex and $0.26 \pm 0.11$ dex above the non-merger medians for $z = [4.5, 6.5]$ and $z = [6.5, 8.5]$, respectively. No other statistically significant enhancements in galaxy sSFR or stellar mass are observed at any projected separation or redshift bin. We also compare our observational results with predictions from the SC-SAM simulation and find no evidence of star formation enhancement in the simulations at any separation range. Finally, we examine the AGN fraction and AGN excess, finding that the fraction of AGNs in AGN-galaxy pairs, relative to the total AGN population, is $3.25^{+1.50}_{-1.06}$ times greater than the fraction of galaxy pairs relative to the overall galaxy population at the same redshift. We find that nearly all AGNs have a companion within 100 kpc and observe an excess AGN fraction in close-pair samples compared to non-merger samples. This excess is found to be $1.26 \pm 0.06$ and $1.34 \pm 0.06$ for AGNs identified via the inferred BPT diagram and photometric SED selection, respectively., Comment: 17 Pages, 7 Figures, Submitted to MNRAS

We report the results of a spectroscopic survey of candidate T subdwarfs identified by the Backyard Worlds: Planet 9 program. Near-infrared spectra of 31 sources with red $J-W2$ colors and large $J$-band reduced proper motions show varying signatures of subsolar metallicity, including strong collision-induced H$_2$ absorption, obscured methane and water features, and weak K I absorption. These metallicity signatures are supported by spectral model fits and 3D velocities, indicating thick disk and halo population membership for several sources. We identify three new metal-poor T subdwarfs ([M/H] $\lesssim$ $-$0.5), CWISE J062316.19+071505.6, WISEA J152443.14$-$262001.8, and CWISE J211250.11-052925.2; and 19 new "mild" subdwarfs with modest metal deficiency ([M/H] $\lesssim$ $-$0.25). We also identify three metal-rich brown dwarfs with thick disk kinematics. We provide kinematic evidence that the extreme L subdwarf 2MASS J053253.46+824646.5 and the mild T subdwarf CWISE J113010.07+313944.7 may be part of the Thamnos population, while the T subdwarf CWISE J155349.96+693355.2 may be part of the Helmi stream. We define a metallicity classification system for T dwarfs that adds mild subdwarfs (d/sdT), subdwarfs (sdT), and extreme subdwarfs (esdT) to the existing dwarf sequence. We also define a metallicity spectral index that correlates with metallicities inferred from spectral model fits and iron abundances from stellar primaries of benchmark T dwarf companions. This expansion of the T dwarf classification system supports investigations of ancient, metal-poor brown dwarfs now being uncovered in deep imaging and spectroscopic surveys., Comment: 82 pages, 19 figures, accepted to ApJS

In recent work of Kennard, Khalili Samani, and the last author, they generalize the Half-Maximal Symmetry Rank result of Wilking for torus actions on positively curved manifolds to $\mathbb{Z}_2$-tori with a fixed point. They show that if the rank is approximately one-fourth of the dimension of the manifold, then fixed point set components of small co-rank subgroups of the $\Z_2$-torus are homotopy equivalent to spheres, real projective spaces, complex projective spaces, or lens spaces. In this paper, we lower the bound on the rank of the $\mathbb{Z}_2$-torus to approximately $n/6$ and $n/8$ and are able to classify either the integral cohomology ring or the $\mathbb{Z}_2$-cohomology ring, respectively, of the fixed point set of the $\mathbb{Z}_2$-torus.

The flux coordinates with dual-region safety factor (q) in the poloidal direction are developed in this work. The X-point effects on the ideal MHD modes in tokamaks are then analyzed using this coordinate system. Since the X-point effects mainly affect the edge region, the modes localized at the tokamak edge are particularly examined. Two types of modes are studied. The first is related to the conventional peeling or peeling-ballooning modes. The mode existence aligned with the local magnetic field in the poloidally core region, as observed experimentally, is confirmed. The X points are shown to contribute to a stabilizing effect for the conventionally treated modes with the surface-averaged q and with the tokamak edge portion truncated. The other is the axisymmetric modes localized in the vicinity of X points, which can affect the cross-field-line transport near the X points. The existence of axisymmetric modes points to the possibility of applying a toroidally axisymmetric resonant magnetic perturbation (RMP) in the X-point area for mitigating the edge localized modes, which can be an alternative to the current RMP design. The dual q description also has important implications for the existing non-axisymmetric RMP concept. It helps to understand why the RMP suppression of edge localized modes is difficult to achieve in the double-null tokamak configurations and points to the possibility of further improving the current RMP concept by considering the alignment to the local q.

Chip-firing is a combinatorial game played on a graph in which we place and disperse chips on vertices until a stable state is reached. We study a chip-firing variant played on an infinite rooted directed $k$-ary tree, where we place $k^\ell$ chips on the root for some positive integer $\ell$, and we say a vertex $v$ can fire if it has at least $k$ chips. A vertex fires by dispersing one chip to each out-neighbor. Once every vertex has less than $k$ chips, we reach a stable configuration since no vertex can fire. We determine the exact number and properties of the possible stable configurations of chips in the setting where chips are distinguishable., Comment: 21 pages, 6 Figures

Galaxy interactions can significantly affect the star formation in galaxies, but it remains a challenge to achieve a consensus on the star formation rate (SFR) enhancement in galaxy pairs. Here, we investigate the SFR enhancement of gas-rich galaxy pairs detected by the Widefield ASKAP L-band Legacy All-sky Blind surveY (WALLABY). We construct a sample of 278 paired galaxies spanning a stellar mass ($M_\ast$) range from $10^{7.6}$ to $10^{11.2}M_\odot$. We obtain individual masses of atomic hydrogen (HI) for these paired galaxies, using a novel deblending algorithm for HI data cubes. Quantifying the interaction stages and strengths with parameters motivated by first principles, we find that at fixed stellar and HI mass, the alteration in SFR of galaxy pairs starts when their dark matter halos encounter. For galaxies with stellar mass lower than $10^9M_\odot$, their SFRs show tentative suppression of 1.4 sigma after the halo encounter, and then become enhanced when their HI disks overlap, regardless of mass ratios. In contrast, the SFRs of galaxies with $M_\ast > 10^9M_\odot$ increase monotonically toward smaller projected distances and radial velocity offsets. When a close companion is present, a pronounced SFR enhancement is found for the most HI-poor high-mass galaxies in our sample. Collecting the observational evidence, we provide a coherent picture of the evolution of galaxy pairs, and discuss how the tidal effects and hydrodynamic processes shape the SFR enhancement. Our results provide a coherent picture of gas-rich galaxy interactions and impose constraints on the underlying physical processes., Comment: 25 pages, 15 figures, accepted for publication in ApJ

Question-asking in collaborative dialogue has long been established as key to knowledge construction, both in internal and collaborative problem solving. In this work, we examine probing questions in collaborative dialogues: questions that explicitly elicit responses from the speaker's interlocutors. Specifically, we focus on modeling the causal relations that lead directly from utterances earlier in the dialogue to the emergence of the probing question. We model these relations using a novel graph-based framework of deliberation chains, and reframe the problem of constructing such chains as a coreference-style clustering problem. Our framework jointly models probing and causal utterances and the links between them, and we evaluate on two challenging collaborative task datasets: the Weights Task and DeliData. Our results demonstrate the effectiveness of our theoretically-grounded approach compared to both baselines and stronger coreference approaches, and establish a standard of performance in this novel task., Comment: Accepted at Findings of EMNLP 2024

The vector electric-field Helmholtz equation, containing cross-polarization terms, is factored to produce both pseudo-differential and exponential operator forms of a three-dimensional, one-way, vector, wave equation for propagation through inhomogeneous media. From this operator factorization we develop a high-order approximate, vector Helmholtz propagator that correctly handles forward-arc, high-angle scattering and diffraction from inhomogeneities at all resolved length scales, and seamlessly includes evanescent waves. A rational approximation/partial fraction decomposition of the exponential operator converts the propagator into a moderate number of large, sparse, linear solves whose results are summed together at each step to advance the electric field in space. We use a new AAA-Lawson rational interpolant for this approximation, rather than the more common Pad\'{e} expansions that have appeared in the seismic and ocean acoustics literature previously. GMRES is used to solve these large systems. A direct-solve, free space propagation method proves to be an effective preconditioner for GMRES, but can also serve as a standalone propagator in homogeneous media. Scalar computational examples shown include plane wave diffraction by a circular aperture and Gaussian beam propagation through sine-product and homogeneous refractive index fields. The sine-product example compares its results to that of paraxial propagation through the same media, and demonstrates the substantial differences between these propagator paradigms when the scale of the inhomogeneities is of the order of the fundamental wavelength in the Helmholtz equation. We also examine the convergence of the homogeneous media beam results to fields generated by Clenshaw-Curtis evaluation of the first Rayleigh-Sommerfeld integral for the same initial conditions., Comment: 29 pages 15 figures

Iterative cycles of theoretical prediction and experimental validation are the cornerstone of the modern scientific method. However, the proverbial "closing of the loop" in experiment-theory cycles in practice are usually ad hoc, often inherently difficult, or impractical to repeat on a systematic basis, beset by the scale or the time constraint of computation or the phenomena under study. Here, we demonstrate Autonomous MAterials Search Engine (AMASE), where we enlist robot science to perform self-driving continuous cyclical interaction of experiments and computational predictions for materials exploration. In particular, we have applied the AMASE formalism to the rapid mapping of a temperature-composition phase diagram, a fundamental task for the search and discovery of new materials. Thermal processing and experimental determination of compositional phase boundaries in thin films are autonomously interspersed with real-time updating of the phase diagram prediction through the minimization of Gibbs free energies. AMASE was able to accurately determine the eutectic phase diagram of the Sn-Bi binary thin-film system on the fly from a self-guided campaign covering just a small fraction of the entire composition - temperature phase space, translating to a 6-fold reduction in the number of necessary experiments. This study demonstrates for the first time the possibility of real-time, autonomous, and iterative interactions of experiments and theory carried out without any human intervention.

The synthesis of binary nanocrystal superlattices (BNSLs) enables the targeted integration of orthogonal physical properties, like photoluminescence and magnetism, into a single superstructure, unlocking a vast design space for multifunctional materials. Yet, the formation mechanism of BNSLs remains poorly understood, restricting the use of simulation to predict the structure and properties of the superlattices. Here, we use a combination of in situ scattering and molecular simulation to elucidate the self-assembly of two common BNSLs through emulsion templating. Our self-assembly experiments reveal that no intermediate structures precede the formation of the final binary phases, indicating that their formation proceeds through classical nucleation. Using simulations, we find that, despite the formation of AlB2 and NaZn13 typically being attributed to entropy, their self-assembly is most consistent with the nanocrystals possessing short-range interparticle attraction, which we find can dramatically accelerate nucleation kinetics in BNSLs. We also find homogenous, classical nucleation in simulation, corroborating our experiments. These results establish a robust correspondence between experiment and theory, paving the way towards a priori prediction of BNSLs.

With the oncologist acting as the ``game leader'', we employ a Stackelberg game-theoretic model involving multiple populations to study prostate cancer. We refine the drug dosing schedule using an empirical Bayes feed-forward analysis, based on clinical data that reflects each patient's prostate-specific drug response. Our methodology aims for a quantitative grasp of the parameter landscape of this adaptive multi-population model, focusing on arresting the growth of drug-resistant prostate cancer by promoting competition across drug-sensitive cancer cell populations. Our findings indicate that not only is it is feasible to considerably extend cancer suppression duration through careful optimization, but even transform metastatic prostate cancer into a chronic condition instead of an acute one for most patients, with supporting clinical and analytical evidence.

Recent advancements in tool-equipped Agents (LLMs) have enabled complex tasks like secure database interactions and multi-agent code development. However, scaling tool capacity beyond agent reasoning or model limits remains a challenge. In this paper, we address these challenges by introducing Toolshed Knowledge Bases, a tool knowledge base (vector database) designed to store enhanced tool representations and optimize tool selection for large-scale tool-equipped Agents. Additionally, we propose Advanced RAG-Tool Fusion, a novel ensemble of tool-applied advanced retrieval-augmented generation (RAG) techniques across the pre-retrieval, intra-retrieval, and post-retrieval phases, without requiring model fine-tuning. During pre-retrieval, tool documents are enhanced with key information and stored in the Toolshed Knowledge Base. Intra-retrieval focuses on query planning and transformation to increase retrieval accuracy. Post-retrieval refines the retrieved tool documents and enables self-reflection. Furthermore, by varying both the total number of tools (tool-M) an Agent has access to and the tool selection threshold (top-k), we address trade-offs between retrieval accuracy, agent performance, and token cost. Our approach achieves 46%, 56%, and 47% absolute improvements on the ToolE single-tool, ToolE multi-tool and Seal-Tools benchmark datasets, respectively (Recall@5).

Theoretical studies have suggested that nonlinear effects can lead to "radio frequency condensation", which coalesces RF power deposition and driven current near the center of a magnetic island. It is predicted that an initially broad current profile can coalesce in islands when they reach sufficient width, providing automatic stabilization. Experimental validation of the theory has thus far been lacking. This paper proposes experiments on DIII-D for testing and refining the theory of the nonlinear effects.

The rise of AI-driven manipulation poses significant risks to societal trust and democratic processes. Yet, studying these effects in real-world settings at scale is ethically and logistically impractical, highlighting a need for simulation tools that can model these dynamics in controlled settings to enable experimentation with possible defenses. We present a simulation environment designed to address this. We elaborate upon the Concordia framework that simulates offline, `real life' activity by adding online interactions to the simulation through social media with the integration of a Mastodon server. We improve simulation efficiency and information flow, and add a set of measurement tools, particularly longitudinal surveys. We demonstrate the simulator with a tailored example in which we track agents' political positions and show how partisan manipulation of agents can affect election results.

Accurate characterization of quantum yield is crucial to the reconstruction of energy depositions in silicon at the eV scale. This work presents a new method for experimentally calculating quantum yield using vacuum UV-sensitive silicon photomultipliers (SiPMs), which can be used to determine the probabilities that a UV photon absorbed in a silicon crystal will produce one, two, or three electron-hole pairs. Results are presented which fully constrain the distribution at photon energies up to 7.75eV. This method works by exploiting the saturation of photon detection efficiency which occurs when these devices are biased sufficiently high above their avalanche breakdown voltage. The measured quantum yield values are lower than those that have been previously reported by experimental data and modelling -- this is expected to impact the sensitivity of experiments searching for light dark matter through direct detection in semiconductors, and should also be taken into account when characterizing the performance of UV photodetectors with high quantum efficiency. Measurements have been taken using a Hamamatsu VUV4 and an FBK VUV-HD3 device, showing good agreements between devices, and at a range of temperatures from 163-233K. The validity of the method is assessed using supplementary measurements of absolute photon detection efficiency, and an additional novel method of measuring average quantum yield using DC current-voltage measurements of SiPMs is presented and used for corroboration., Comment: 13 pages, 11 figures

The Duke Robotics Club is proud to present our robot for the 2023 RoboSub Competition: Oogway. Oogway marks one of the largest design overhauls in club history. Beyond a revamped formfactor, some of Oogway's notable features include all-new computer vision software, advanced sonar integration, novel acoustics hardware processing, and upgraded stereoscopic cameras. Oogway was built on the principle of independent, well-integrated, and reliable subsystems. Individual components and subsystems were tested and designed separately. Oogway's most advanced capabilities are a result of the tight integration between these subsystems. Such examples include sonar-assisted computer vision algorithms and robot-agnostic controls configured in part through the robot's 3D model. The success of constructing and testing Oogway in under 2 year's time can be attributed to 20+ contributing club members, supporters within Duke's Pratt School of Engineering, and outside sponsors., Comment: arXiv admin note: text overlap with arXiv:2410.09684

Geometric tempering is a popular approach to sampling from challenging multi-modal probability distributions by instead sampling from a sequence of distributions which interpolate, using the geometric mean, between an easier proposal distribution and the target distribution. In this paper, we theoretically investigate the soundness of this approach when the sampling algorithm is Langevin dynamics, proving both upper and lower bounds. Our upper bounds are the first analysis in the literature under functional inequalities. They assert the convergence of tempered Langevin in continuous and discrete-time, and their minimization leads to closed-form optimal tempering schedules for some pairs of proposal and target distributions. Our lower bounds demonstrate a simple case where the geometric tempering takes exponential time, and further reveal that the geometric tempering can suffer from poor functional inequalities and slow convergence, even when the target distribution is well-conditioned. Overall, our results indicate that geometric tempering may not help, and can even be harmful for convergence.

The Duke Robotics Club is proud to present our robot for the 2024 RoboSub Competition: Oogway. Now in its second year, Oogway has been dramatically upgraded in both its capabilities and reliability. Oogway was built on the principle of independent, well-integrated, and reliable subsystems. Individual components and subsystems were tested and designed separately. Oogway's most advanced capabilities are a result of the tight integration between these subsystems. Such examples include a re-envisioned controls system, an entirely new electrical stack, advanced sonar integration, additional cameras and system monitoring, a new marker dropper, and a watertight capsule mechanism. These additions enabled Oogway to prequalify for Robosub 2024.

We experimentally and theoretically demonstrate spinor gases driven by spin-flopping fields are excellent platforms for investigating ergodicity breaking and quantum scarring. We observe that specific initial states remain nonthermal at weak driving despite the majority of states thermalizing, which constitutes clear evidence of quantum many-body scars (QMBS). As the driving strength increases, the experimental system undergoes a smooth transition from integrable to weakly ergodicity breaking, which supports QMBS, and then to fully thermal. This is in agreement with the theoretical spectra, which predict towers of states dissolving with increasing driving strength. This work advances the study of QMBS and quantum scars with applications to, e.g., quantum information storage.

Novice programmers are increasingly relying on Large Language Models (LLMs) to generate code for learning programming concepts. However, this interaction can lead to superficial engagement, giving learners an illusion of learning and hindering skill development. To address this issue, we conducted a systematic design exploration to develop seven cognitive engagement techniques aimed at promoting deeper engagement with AI-generated code. In this paper, we describe our design process, the initial seven techniques and results from a between-subjects study (N=82). We then iteratively refined the top techniques and further evaluated them through a within-subjects study (N=42). We evaluate the friction each technique introduces, their effectiveness in helping learners apply concepts to isomorphic tasks without AI assistance, and their success in aligning learners' perceived and actual coding abilities. Ultimately, our results highlight the most effective technique: guiding learners through the step-by-step problem-solving process, where they engage in an interactive dialog with the AI, prompting what needs to be done at each stage before the corresponding code is revealed., Comment: 19 pages, 6 figures

One of the most challenging problems in the computational study of localization in quantum manybody systems is to capture the effects of rare events, which requires sampling over exponentially many disorder realizations. We implement an efficient procedure on a quantum processor, leveraging quantum parallelism, to efficiently sample over all disorder realizations. We observe localization without disorder in quantum many-body dynamics in one and two dimensions: perturbations do not diffuse even though both the generator of evolution and the initial states are fully translationally invariant. The disorder strength as well as its density can be readily tuned using the initial state. Furthermore, we demonstrate the versatility of our platform by measuring Renyi entropies. Our method could also be extended to higher moments of the physical observables and disorder learning.

We investigate feature universality in large language models (LLMs), a research field that aims to understand how different models similarly represent concepts in the latent spaces of their intermediate layers. Demonstrating feature universality allows discoveries about latent representations to generalize across several models. However, comparing features across LLMs is challenging due to polysemanticity, in which individual neurons often correspond to multiple features rather than distinct ones. This makes it difficult to disentangle and match features across different models. To address this issue, we employ a method known as dictionary learning by using sparse autoencoders (SAEs) to transform LLM activations into more interpretable spaces spanned by neurons corresponding to individual features. After matching feature neurons across models via activation correlation, we apply representational space similarity metrics like Singular Value Canonical Correlation Analysis to analyze these SAE features across different LLMs. Our experiments reveal significant similarities in SAE feature spaces across various LLMs, providing new evidence for feature universality.

Batched Bayesian optimization (BO) can accelerate molecular design by efficiently identifying top-performing compounds from a large chemical library. Existing acquisition strategies for batch design in BO aim to balance exploration and exploitation. This often involves optimizing non-additive batch acquisition functions, necessitating approximation via myopic construction and/or diversity heuristics. In this work, we propose an acquisition strategy for discrete optimization that is motivated by pure exploitation, qPO (multipoint Probability of Optimality). qPO maximizes the probability that the batch includes the true optimum, which is expressible as the sum over individual acquisition scores and thereby circumvents the combinatorial challenge of optimizing a batch acquisition function. We differentiate the proposed strategy from parallel Thompson sampling and discuss how it implicitly captures diversity. Finally, we apply our method to the model-guided exploration of large chemical libraries and provide empirical evidence that it performs better than or on par with state-of-the-art methods in batched Bayesian optimization.

Predicting the neural response to natural images in the visual cortex requires extracting relevant features from the images and relating those feature to the observed responses. In this work, we optimize the feature extraction in order to maximize the information shared between the image features and the neural response across voxels in a given region of interest (ROI) extracted from the BOLD signal measured by fMRI. We adapt contrastive learning (CL) to fine-tune a convolutional neural network, which was pretrained for image classification, such that a mapping of a given image's features are more similar to the corresponding fMRI response than to the responses to other images. We exploit the recently released Natural Scenes Dataset (Allen et al., 2022) as organized for the Algonauts Project (Gifford et al., 2023), which contains the high-resolution fMRI responses of eight subjects to tens of thousands of naturalistic images. We show that CL fine-tuning creates feature extraction models that enable higher encoding accuracy in early visual ROIs as compared to both the pretrained network and a baseline approach that uses a regression loss at the output of the network to tune it for fMRI response encoding. We investigate inter-subject transfer of the CL fine-tuned models, including subjects from another, lower-resolution dataset (Gong et al., 2023). We also pool subjects for fine-tuning to further improve the encoding performance. Finally, we examine the performance of the fine-tuned models on common image classification tasks, explore the landscape of ROI-specific models by applying dimensionality reduction on the Bhattacharya dissimilarity matrix created using the predictions on those tasks (Mao et al., 2024), and investigate lateralization of the processing for early visual ROIs using salience maps of the classifiers built on the CL-tuned models.

Late-stage Ca-sulfate-filled fractures are common on Mars. Notably, the Shenandoah formation in the western edge of Jezero crater preserves a variety of Ca-sulfate minerals in the fine-grained siliciclastic rocks explored by the Perseverance rover. However, the depositional environment and timing of the formation of these sulfates is unknown. To address this outstanding problem, we developed a new technique to map the crystal textures of these sulfates in situ at two stratigraphically similar locations in the Shenandoah formation, allowing us to constrain the burial depth and paleoenvironment at the time of their deposition. Our results suggest that some Ca-sulfate analyzed was formed at a burial depth greater than 80m, whereas Ca-sulfates present at another outcrop likely precipitated in a shallow-subsurface environment. These results indicate that samples collected for potential return to Earth at the two studied locations capture two different times and distinct chemical conditions in the depositional history of the Shenandoah formation providing multiple opportunities to evaluate surface and subsurface habitability.

We construct bypass attachments in higher dimensional contact manifolds that, when attached to a neighborhood of a Weinstein hypersurface, yield a neighborhood of a new Weinstein hypersurface, obtained via local modifications to the Weinstein handle decomposition of the first. For context, we give $3$-dimensional analogues of these bypass attachments and discuss their appearance in nature. We then show that our bypass attachments give a necessary and sufficient set of moves relating any two Weinstein domains which become almost symplectomorphic after one stabilization. Finally, we use our construction to produce several examples of interesting convex hypersurfaces and recover a uniqueness $h$-principle for Weinstein hypersurfaces., Comment: 41 pages, 27 figures; comments welcome

Significant advancements have been made in understanding the physics of transition-edge sensors (TESs) over the past decade. However, key questions remain, particularly a detailed understanding of the current-dependent resistance of these detectors when biased within their superconducting transition. We use scanning superconducting quantum interference device (SQUID) microscopy (SSM) to image the local diamagnetic response of aluminum-manganese alloy (Al-Mn) transition-edge sensors (TESs) near their critical temperature of approximately 175 mK. By doing so, we gain insights into how the device dimensions influence TES transition width, which in turn affects device operation and informs optimal device design. Our images reveal that the Al-Mn thin film near the niobium (Nb) leads exhibits an excess diamagnetic response at temperatures several milli-Kelvin (mK) higher than the bulk of the film farther from the contacts. A possible origin of this behavior is a longitudinal proximity effect between the Nb and Al-Mn where the TES acts as a weak link between superconducting leads. We discuss how this effect shapes the temperature dependence of the resistance as the spacing between the leads decreases. This work demonstrates that magnetic imaging with SSM is a powerful tool for local characterization of superconducting detectors., Comment: 5 pages, 4 figures, Applied Superconductivity Conference (ASC 2024) proceedings, submitted to IEEE Transactions on Applied Superconductivity (IEEE TAS)

When solving inverse problems, it is increasingly popular to use pre-trained diffusion models as plug-and-play priors. This framework can accommodate different forward models without re-training while preserving the generative capability of diffusion models. Despite their success in many imaging inverse problems, most existing methods rely on privileged information such as derivative, pseudo-inverse, or full knowledge about the forward model. This reliance poses a substantial limitation that restricts their use in a wide range of problems where such information is unavailable, such as in many scientific applications. To address this issue, we propose Ensemble Kalman Diffusion Guidance (EnKG) for diffusion models, a derivative-free approach that can solve inverse problems by only accessing forward model evaluations and a pre-trained diffusion model prior. We study the empirical effectiveness of our method across various inverse problems, including scientific settings such as inferring fluid flows and astronomical objects, which are highly non-linear inverse problems that often only permit black-box access to the forward model.

Generative AI, in particular large transformer models, are increasingly driving HPC system design in science and industry. We analyze performance characteristics of such transformer models and discuss their sensitivity to the transformer type, parallelization strategy, and HPC system features (accelerators and interconnects). We utilize a performance model that allows us to explore this complex design space and highlight its key components. We find that different transformer types demand different parallelism and system characteristics at different training regimes. Large Language Models are performant with 3D parallelism and amplify network needs only at pre-training scales with reduced dependence on accelerator capacity and bandwidth. On the other hand, long-sequence transformers, representative of scientific foundation models, place a more uniform dependence on network and capacity with necessary 4D parallelism. Our analysis emphasizes the need for closer performance modeling of different transformer types keeping system features in mind and demonstrates a path towards this. Our code is available as open-source., Comment: 17 pages, PMBS 2024

Chip-firing is a combinatorial game played on an undirected graph in which we place chips on vertices. We study chip-firing on an infinite binary tree in which we add a self-loop to the root to ensure each vertex has degree 3. A vertex can fire if the number of chips placed on it is at least its degree. In our case, a vertex can fire if it has at least 3 chips, and it fires by dispersing $1$ chip to each neighbor. Motivated by a 2023 paper by Musiker and Nguyen on this setting of chip-firing, we give an upper bound for the number of stable configurations when we place $2^\ell - 1$ labeled chips at the root. When starting with $N$ chips at the root where $N$ is a positive integer, we determine the number of times each vertex fires when $N$ is not necessarily of the form $2^\ell - 1$. We also calculate the total number of fires in this case., Comment: 24 pages, 8 figures

This paper proposes an alternative implementation of the MENT algorithm, an exact maximum-entropy algorithm used to infer a phase space distribution from its projections. A key step in the MENT algorithm is to compute the distribution's projections via numerical integration. In this approach, the run time scales quickly with the phase space dimension and measurement resolution. The proposed MENT implementation computes the projections via particle sampling, rather than numerical integration, eliminating the dependence on the measurement resolution. Furthermore, with the appropriate sampling algorithm, the particle-based approach scales to $N$-dimensions without computer memory limitations. Using synthetic data, we demonstrate MENT convergence in four dimensions using a grid-based sampling method and in six dimensions using Markov Chain Monte Carlo (MCMC) sampling., Comment: 7 pages, 2 figures, comments welcome

Learning to Optimize (L2O) approaches, including algorithm unrolling, plug-and-play methods, and hyperparameter learning, have garnered significant attention and have been successfully applied to the Alternating Direction Method of Multipliers (ADMM) and its variants. However, the natural extension of L2O to multi-block ADMM-type methods remains largely unexplored. Such an extension is critical, as multi-block methods leverage the separable structure of optimization problems, offering substantial reductions in per-iteration complexity. Given that classical multi-block ADMM does not guarantee convergence, the Majorized Proximal Augmented Lagrangian Method (MPALM), which shares a similar form with multi-block ADMM and ensures convergence, is more suitable in this setting. Despite its theoretical advantages, MPALM's performance is highly sensitive to the choice of penalty parameters. To address this limitation, we propose a novel L2O approach that adaptively selects this hyperparameter using supervised learning. We demonstrate the versatility and effectiveness of our method by applying it to the Lasso problem and the optimal transport problem. Our numerical results show that the proposed framework outperforms popular alternatives. Given its applicability to generic linearly constrained composite optimization problems, this work opens the door to a wide range of potential real-world applications., Comment: 15 pages, 2 figures

Lattice gauge theories (LGTs) can be employed to understand a wide range of phenomena, from elementary particle scattering in high-energy physics to effective descriptions of many-body interactions in materials. Studying dynamical properties of emergent phases can be challenging as it requires solving many-body problems that are generally beyond perturbative limits. We investigate the dynamics of local excitations in a $\mathbb{Z}_2$ LGT using a two-dimensional lattice of superconducting qubits. We first construct a simple variational circuit which prepares low-energy states that have a large overlap with the ground state; then we create particles with local gates and simulate their quantum dynamics via a discretized time evolution. As the effective magnetic field is increased, our measurements show signatures of transitioning from deconfined to confined dynamics. For confined excitations, the magnetic field induces a tension in the string connecting them. Our method allows us to experimentally image string dynamics in a (2+1)D LGT from which we uncover two distinct regimes inside the confining phase: for weak confinement the string fluctuates strongly in the transverse direction, while for strong confinement transverse fluctuations are effectively frozen. In addition, we demonstrate a resonance condition at which dynamical string breaking is facilitated. Our LGT implementation on a quantum processor presents a novel set of techniques for investigating emergent particle and string dynamics.

Auto-evaluation is crucial for assessing response quality and offering feedback for model development. Recent studies have explored training large language models (LLMs) as generative judges to evaluate and critique other models' outputs. In this work, we investigate the idea of learning from both positive and negative data with preference optimization to enhance the evaluation capabilities of LLM judges across an array of different use cases. We achieve this by employing three approaches to collect the preference pairs for different use cases, each aimed at improving our generative judge from a different perspective. Our comprehensive study over a wide range of benchmarks demonstrates the effectiveness of our method. In particular, our generative judge achieves the best performance on 10 out of 13 benchmarks, outperforming strong baselines like GPT-4o and specialized judge models. Further analysis show that our judge model robustly counters inherent biases such as position and length bias, flexibly adapts to any evaluation protocol specified by practitioners, and provides helpful language feedback for improving downstream generator models., Comment: Preprint

Transformer neural networks (TNNs) are being applied across a widening range of application domains, including natural language processing (NLP), machine translation, and computer vision (CV). Their popularity is largely attributed to the exceptional performance of their multi-head self-attention blocks when analyzing sequential data and extracting features. To date, there are limited hardware accelerators tailored for this mechanism, which is the first step before designing an accelerator for a complete model. This paper proposes \textit{FAMOUS}, a flexible hardware accelerator for dense multi-head attention (MHA) computation of TNNs on field-programmable gate arrays (FPGAs). It is optimized for high utilization of processing elements and on-chip memories to improve parallelism and reduce latency. An efficient tiling of large matrices has been employed to distribute memory and computing resources across different modules on various FPGA platforms. The design is evaluated on Xilinx Alveo U55C and U200 data center cards containing Ultrascale+ FPGAs. Experimental results are presented that show that it can attain a maximum throughput, number of parallel attention heads, embedding dimension and tile size of 328 (giga operations/second (GOPS)), 8, 768 and 64 respectively on the U55C. Furthermore, it is 3.28$\times$ and 2.6$\times$ faster than the Intel Xeon Gold 5220R CPU and NVIDIA V100 GPU respectively. It is also 1.3$\times$ faster than the fastest state-of-the-art FPGA-based accelerator., Comment: arXiv admin note: text overlap with arXiv:2409.13975

Automated experiments in scanning transmission electron microscopy (STEM) require rapid image segmentation to optimize data representation for human interpretation, decision-making, site-selective spectroscopies, and atomic manipulation. Currently, segmentation tasks are typically performed using supervised machine learning methods, which require human-labeled data and are sensitive to out-of-distribution drift effects caused by changes in resolution, sampling, or beam shape. Here, we operationalize and benchmark a recently proposed reward-driven optimization workflow for on-the fly image analysis in STEM. This unsupervised approach is much more robust, as it does not rely on human labels and is fully explainable. The explanatory feedback can help the human to verify the decision making and potentially tune the model by selecting the position along the Pareto frontier of reward functions. We establish the timing and effectiveness of this method, demonstrating its capability for real-time performance in high-throughput and dynamic automated STEM experiments. The reward driven approach allows to construct explainable robust analysis workflows and can be generalized to a broad range of image analysis tasks in electron and scanning probe microscopy and chemical imaging., Comment: 17 pages, 6 images

Cancer drug response prediction (DRP) models present a promising approach towards precision oncology, tailoring treatments to individual patient profiles. While deep learning (DL) methods have shown great potential in this area, models that can be successfully translated into clinical practice and shed light on the molecular mechanisms underlying treatment response will likely emerge from collaborative research efforts. This highlights the need for reusable and adaptable models that can be improved and tested by the wider scientific community. In this study, we present a scoring system for assessing the reusability of prediction DRP models, and apply it to 17 peer-reviewed DL-based DRP models. As part of the IMPROVE (Innovative Methodologies and New Data for Predictive Oncology Model Evaluation) project, which aims to develop methods for systematic evaluation and comparison DL models across scientific domains, we analyzed these 17 DRP models focusing on three key categories: software environment, code modularity, and data availability and preprocessing. While not the primary focus, we also attempted to reproduce key performance metrics to verify model behavior and adaptability. Our assessment of 17 DRP models reveals both strengths and shortcomings in model reusability. To promote rigorous practices and open-source sharing, we offer recommendations for developing and sharing prediction models. Following these recommendations can address many of the issues identified in this study, improving model reusability without adding significant burdens on researchers. This work offers the first comprehensive assessment of reusability and reproducibility across diverse DRP models, providing insights into current model sharing practices and promoting standards within the DRP and broader AI-enabled scientific research community., Comment: 12 pages, 2 figures

The data volumes generated by the WALLABY atomic Hydrogen (HI) survey using the Australiian Square Kilometre Array Pathfinder (ASKAP) necessitate greater automation and reliable automation in the task of source-finding and cataloguing. To this end, we introduce and explore a novel deep learning framework for detecting low Signal-to-Noise Ratio (SNR) HI sources in an automated fashion. Specfically, our proposed method provides an automated process for separating true HI detections from false positives when used in combination with the Source Finding Application (SoFiA) output candidate catalogues. Leveraging the spatial and depth capabilities of 3D Convolutional Neural Networks (CNNs), our method is specifically designed to recognise patterns and features in three-dimensional space, making it uniquely suited for rejecting false positive sources in low SNR scenarios generated by conventional linear methods. As a result, our approach is significantly more accurate in source detection and results in considerably fewer false detections compared to previous linear statistics-based source finding algorithms. Performance tests using mock galaxies injected into real ASKAP data cubes reveal our method's capability to achieve near-100% completeness and reliability at a relatively low integrated SNR~3-5. An at-scale version of this tool will greatly maximise the science output from the upcoming widefield HI surveys., Comment: 14 pages, 12 figures, accepted for publication in the Publications of the Astronomical Society of Australia

Machine learning has been pervasively touching many fields of science. Chemistry and materials science are no exception. While machine learning has been making a great impact, it is still not reaching its full potential or maturity. In this perspective, we first outline current applications across a diversity of problems in chemistry. Then, we discuss how machine learning researchers view and approach problems in the field. Finally, we provide our considerations for maximizing impact when researching machine learning for chemistry.

Retrieval Augmented Generation (RAG), a paradigm that integrates external contextual information with large language models (LLMs) to enhance factual accuracy and relevance, has emerged as a pivotal area in generative AI. The LLMs used in RAG applications are required to faithfully and completely comprehend the provided context and users' questions, avoid hallucination, handle unanswerable, counterfactual or otherwise low-quality and irrelevant contexts, perform complex multi-hop reasoning and produce reliable citations. In this paper, we introduce SFR-RAG, a small LLM that is instruction-tuned with an emphasis on context-grounded generation and hallucination minimization. We also present ContextualBench, a new evaluation framework compiling multiple popular and diverse RAG benchmarks, such as HotpotQA and TriviaQA, with consistent RAG settings to ensure reproducibility and consistency in model assessments. Experimental results demonstrate that our SFR-RAG-9B model outperforms leading baselines such as Command-R+ (104B) and GPT-4o, achieving state-of-the-art results in 3 out of 7 benchmarks in ContextualBench with significantly fewer parameters. The model is also shown to be resilient to alteration in the contextual information and behave appropriately when relevant context is removed. Additionally, the SFR-RAG model maintains competitive performance in general instruction-following tasks and function-calling capabilities., Comment: Technical report