Miracle-dz/UniFAR-FTUs huggingface dataset:
Sluggish and Chemically-Biased Interstitial Diffusion in Concentrated Solid Solution Alloys: Mechanisms and Methods

Interstitial diffusion is a pivotal process that governs the phase stability and irradiation response of materials in non-equilibrium conditions. In this work, we study sluggish and chemically-biased interstitial diffusion in Fe-Ni concentrated solid solution alloys (CSAs) by combining machine learning (ML) and kinetic Monte Carlo (kMC), where ML is used to accurately and efficiently predict the migration energy barriers on-the-fly. The ML-kMC reproduces the diffusivity that was reported by molecular dynamics results at high temperatures. With this powerful tool, we find that the observed sluggish diffusion and the"Ni-Ni-Ni"-biased diffusion in Fe-Ni alloys are ascribed to a unique"Barrier Lock"mechanism, whereas the"Fe-Fe-Fe"-biased diffusion is influenced by a"Component Dominance"mechanism. Inspired by the mentioned mechanisms, a practical AvgS-kMC method is proposed for conveniently and swiftly determining interstitial-mediated diffusivity by only relying on the mean energy barriers of migration patterns. Combining the AvgS-kMC with the differential evolutionary algorithm, an inverse design strategy for optimizing sluggish diffusion properties is applied to emphasize the crucial role of favorable migration patterns.
Testing He ii Emission from Wolf–Rayet Stars as a Dust Attenuation Measure in Eight Nearby Star-forming Galaxies

The ability to determine galaxy properties such as masses, ages, and star formation rates robustly is critically limited by the ability to measure dust attenuation accurately. Dust reddening is often characterized by comparing observations to models of either nebular recombination lines or the UV continuum. Here, we use a new technique to measure dust reddening by exploiting the He ii λ1640 and λ4686 emission lines originating from the stellar winds of Wolf–Rayet stars. The intrinsic line ratio is determined by atomic physics, enabling an estimate of the stellar reddening similar to how the Balmer lines probe gas-emission reddening. The He ii line ratio is measured from UV and optical spectroscopy using the Space Telescope Imaging Spectrograph on board the Hubble Space Telescope for eight nearby galaxies hosting young massive star clusters. We compare our results to dust reddening values estimated from UV spectral slopes and from Balmer line ratios and find tentative evidence for systematic differences. The reddening derived from the He ii lines tends to be higher, whereas that from the UV continuum tends to be lower. A larger sample size is needed to confirm this trend. If confirmed, this may indicate an age sequence probing different stages of dust clearing. Broad He ii lines have also been detected in galaxies more distant than in our sample, providing the opportunity to estimate the dust reddening of the youngest stellar populations out to distances of ∼100 Mpc.
Segment Every Out-of-Distribution Object

Semantic segmentation models, while effective for in-distribution categories, face challenges in real-world deployment due to encountering out-of-distribution (OoD) objects. Detecting these OoD objects is crucial for safety-critical applications. Existing methods rely on anomaly scores, but choosing a suitable threshold for generating masks presents difficulties and can lead to fragmentation and inaccuracy. This paper introduces a method to convert anomaly \textbf{S}core \textbf{T}o segmentation \textbf{M}ask, called S2M, a simple and effective framework for OoD detection in semantic segmentation. Unlike assigning anomaly scores to pixels, S2M directly segments the entire OoD object. By transforming anomaly scores into prompts for a promptable segmentation model, S2M eliminates the need for threshold selection. Extensive experiments demonstrate that S2M outperforms the state-of-the-art by approximately 20% in IoU and 40% in mean F1 score, on average, across various benchmarks including Fishyscapes, Segment-Me-If-You-Can, and RoadAnomaly datasets.
The EBLM Project—From False Positives to Benchmark Stars and Circumbinary Exoplanets

The EBLM project aims to characterise very-low-mass stars that are companions to solar-type stars in eclipsing binaries. We describe the history and motivation for this project, the methodology we use to obtain the precise mass, radius, and effective temperature estimates for very-low-mass M dwarfs, and review the results of the EBLM study and those from related projects. We show that radius inflation in fully convective stars is a more subtle effect than what was previously thought based on less precise measurements, i.e., the mass–radius–effective temperature relations we observe for fully convective stars in single-line eclipsing binaries show reasonable agreement with the theoretical models, particularly if we account for the M-dwarf metallicity, as inferred from the analysis of the primary star spectrum.
Refined BPS structures and topological recursion - the Weber and Whittaker curves

We study properties of the recently established refined topological recursion for some simple spectral curves associated to quadratic differentials. We prove explicit formulas for the free energy and Voros coefficients of the corresponding quantum curves, and conjecture expressions for all other (smooth) genus zero degree two curves. The results can be written in terms of Bridgeland's notion of refined BPS structure associated to the same initial data, together with a quantum correction to the central charge. The corresponding"invariants"appear to be new, but their interpretation in terms of Donaldson-Thomas theory or QFT is not entirely clear.
Adversarial Distribution Balancing for Counterfactual Reasoning

The development of causal prediction models is challenged by the fact that the outcome is only observable for the applied (factual) intervention and not for its alternatives (the so-called counterfactuals); in medicine we only know patients' survival for the administered drug and not for other therapeutic options. Machine learning approaches for counterfactual reasoning have to deal with both unobserved outcomes and distributional differences due to non-random treatment administration. Unsupervised domain adaptation (UDA) addresses similar issues; one has to deal with unobserved outcomes -- the labels of the target domain -- and distributional differences between source and target domain. We propose Adversarial Distribution Balancing for Counterfactual Reasoning (ADBCR), which directly uses potential outcome estimates of the counterfactuals to remove spurious causal relations. We show that ADBCR outcompetes state-of-the-art methods on three benchmark datasets, and demonstrate that ADBCR's performance can be further improved if unlabeled validation data are included in the training procedure to better adapt the model to the validation domain.
A Graph-to-Text Approach to Knowledge-Grounded Response Generation in Human-Robot Interaction

Knowledge graphs are often used to represent structured information in a flexible and efficient manner, but their use in situated dialogue remains under-explored. This paper presents a novel conversational model for human--robot interaction that rests upon a graph-based representation of the dialogue state. The knowledge graph representing the dialogue state is continuously updated with new observations from the robot sensors, including linguistic, situated and multimodal inputs, and is further enriched by other modules, in particular for spatial understanding. The neural conversational model employed to respond to user utterances relies on a simple but effective graph-to-text mechanism that traverses the dialogue state graph and converts the traversals into a natural language form. This conversion of the state graph into text is performed using a set of parameterized functions, and the values for those parameters are optimized based on a small set of Wizard-of-Oz interactions. After this conversion, the text representation of the dialogue state graph is included as part of the prompt of a large language model used to decode the agent response. The proposed approach is empirically evaluated through a user study with a humanoid robot that acts as conversation partner to evaluate the impact of the graph-to-text mechanism on the response generation. After moving a robot along a tour of an indoor environment, participants interacted with the robot using spoken dialogue and evaluated how well the robot was able to answer questions about what the robot observed during the tour. User scores show a statistically significant improvement in the perceived factuality of the robot responses when the graph-to-text approach is employed, compared to a baseline using inputs structured as semantic triples.
TFMQ-DM: Temporal Feature Maintenance Quantization for Diffusion Models

The Diffusion model, a prevalent framework for image generation, encounters significant challenges in terms of broad applicability due to its extended inference times and substantial memory requirements. Efficient Post-training Quantization (PTQ) is pivotal for addressing these issues in traditional models. Different from traditional models, diffusion models heavily depend on the time-step $t$ to achieve satisfactory multi-round denoising. Usually, $t$ from the finite set $\{1, \ldots, T\}$ is encoded to a temporal feature by a few modules totally irrespective of the sampling data. However, existing PTQ methods do not optimize these modules separately. They adopt inappropriate reconstruction targets and complex calibration methods, resulting in a severe disturbance of the temporal feature and denoising trajectory, as well as a low compression efficiency. To solve these, we propose a Temporal Feature Maintenance Quantization (TFMQ) framework building upon a Temporal Information Block which is just related to the time-step $t$ and unrelated to the sampling data. Powered by the pioneering block design, we devise temporal information aware reconstruction (TIAR) and finite set calibration (FSC) to align the full-precision temporal features in a limited time. Equipped with the framework, we can maintain the most temporal information and ensure the end-to-end generation quality. Extensive experiments on various datasets and diffusion models prove our state-of-the-art results. Remarkably, our quantization approach, for the first time, achieves model performance nearly on par with the full-precision model under 4-bit weight quantization. Additionally, our method incurs almost no extra computational cost and accelerates quantization time by $2.0 \times$ on LSUN-Bedrooms $256 \times 256$ compared to previous works. Our code is publicly available at https://github.com/ModelTC/TFMQ-DM.
SparseCtrl: Adding Sparse Controls to Text-to-Video Diffusion Models

The development of text-to-video (T2V), i.e., generating videos with a given text prompt, has been significantly advanced in recent years. However, relying solely on text prompts often results in ambiguous frame composition due to spatial uncertainty. The research community thus leverages the dense structure signals, e.g., per-frame depth/edge sequences, to enhance controllability, whose collection accordingly increases the burden of inference. In this work, we present SparseCtrl to enable flexible structure control with temporally sparse signals, requiring only one or a few inputs, as shown in Figure 1. It incorporates an additional condition encoder to process these sparse signals while leaving the pre-trained T2V model untouched. The proposed approach is compatible with various modalities, including sketches, depth maps, and RGB images, providing more practical control for video generation and promoting applications such as storyboarding, depth rendering, keyframe animation, and interpolation. Extensive experiments demonstrate the generalization of SparseCtrl on both original and personalized T2V generators. Codes and models will be publicly available at https://guoyww.github. io/projects/SparseCtrl .
1-Lipschitz Layers Compared: Memory, Speed, and Certifiable Robustness

The robustness of neural networks against input perturbations with bounded magnitude represents a serious concern in the deployment of deep learning models in safety-critical systems. Recently, the scientific community has focused on enhancing certifiable robustness guarantees by crafting 1-Lipschitz neural networks that leverage Lipschitz bounded dense and convolutional layers. Although different methods have been proposed in the literature to achieve this goal, understanding the performance of such methods is not straightforward, since different metrics can be relevant (e.g., training time, memory usage, accuracy, certifiable robustness) for different applications. For this reason, this work provides a thorough theoretical and empirical comparison between methods by evaluating them in terms of memory usage, speed, and certifiable robust accuracy. The paper also provides some guidelines and recommendations to support the user in selecting the methods that work best depending on the available resources. We provide code at https://github.com/berndprach/1LipschitzLayersCompared.
Bidirectional Reactive Programming for Machine Learning

Reactive languages are dedicated to the programming of systems which interact continuously and concurrently with their environment. Values take the form of unbounded streams modeling the (discrete) passing of time or the sequence of concurrent interactions. While conventional reactivity models recurrences forward in time, we introduce a symmetric reactive construct enabling backward recurrences. Constraints on the latter allow to make the implementation practical. Machine Learning (ML) systems provide numerous motivations for all of this: we demonstrate that reverse-mode automatic differentiation, backpropagation, batch normalization, bidirectional recurrent neural networks, training and reinforcement learning algorithms, are all naturally captured as bidirectional reactive programs.
High-resolution, Mid-infrared Color Temperature Mapping of the Central 10″ of the Galaxy

The neighborhood of the Galactic black hole boasts a plethora of extended interstellar gas and dust features, as well as populations of compact (unresolved or marginally resolved) features such as the G objects. Most are well manifested in the infrared. To disentangle and characterize the infrared structure of the extended features and identify compact sources, we used 3.8 μm (L′ filter) data from the NIRC2 imager at the Keck Observatory and 8.6 μm (PAH1 filter) data from the VISIR imager at the Very Large Telescope to produce the highest-resolution mid-IR color temperature map of the inner half-parsec of the Galactic center to date. From this map, we compile a catalog of features that stand out from their background. In particular, we identify 33 compact sources that stand out against the local background temperature, 11 of which are newly identified and candidates for being members of the G object population. Additionally, we resolve and newly characterize the morphology of several known extended features. These results prepare the way for ongoing and future JWST studies that have access to a greater range of mid-infrared wavelengths and thus will allow for refined estimation of the trends of dust temperatures.
Data-efficient operator learning for solving high Mach number fluid flow problems

We consider the problem of using SciML to predict solutions of high Mach fluid flows over irregular geometries. In this setting, data is limited, and so it is desirable for models to perform well in the low-data setting. We show that Neural Basis Functions (NBF), which learns a basis of behavior modes from the data and then uses this basis to make predictions, is more effective than a basis-unaware baseline model. In addition, we identify continuing challenges in the space of predicting solutions for this type of problem.
Decomposer: Semi-supervised Learning of Image Restoration and Image Decomposition

We present Decomposer, a semi-supervised reconstruction model that decomposes distorted image sequences into their fundamental building blocks - the original image and the applied augmentations, i.e., shadow, light, and occlusions. To solve this problem, we use the SIDAR dataset that provides a large number of distorted image sequences: each sequence contains images with shadows, lighting, and occlusions applied to an undistorted version. Each distortion changes the original signal in different ways, e.g., additive or multiplicative noise. We propose a transformer-based model to explicitly learn this decomposition. The sequential model uses 3D Swin-Transformers for spatio-temporal encoding and 3D U-Nets as prediction heads for individual parts of the decomposition. We demonstrate that by separately pre-training our model on weakly supervised pseudo labels, we can steer our model to optimize for our ambiguous problem definition and learn to differentiate between the different image distortions.
Learning Markovian dynamics with spectral maps.

The long-time behavior of many complex molecular systems can often be described by Markovian dynamics in a slow subspace spanned by a few reaction coordinates referred to as collective variables (CVs). However, determining CVs poses a fundamental challenge in chemical physics. Depending on intuition or trial and error to construct CVs can lead to non-Markovian dynamics with long memory effects, hindering analysis. To address this problem, we continue to develop a recently introduced deep-learning technique called spectral map [J. Rydzewski, J. Phys. Chem. Lett. 14, 5216-5220 (2023)]. Spectral map learns slow CVs by maximizing a spectral gap of a Markov transition matrix describing anisotropic diffusion. Here, to represent heterogeneous and multiscale free-energy landscapes with spectral map, we implement an adaptive algorithm to estimate transition probabilities. Through a Markov state model analysis, we validate that spectral map learns slow CVs related to the dominant relaxation timescales and discerns between long-lived metastable states.
Multi-defender Security Games with Schedules

Stackelberg Security Games are often used to model strategic interactions in high-stakes security settings. The majority of existing models focus on single-defender settings where a single entity assumes command of all security assets. However, many realistic scenarios feature multiple heterogeneous defenders with their own interests and priorities embedded in a more complex system. Furthermore, defenders rarely choose targets to protect. Instead, they have a multitude of defensive resources or schedules at its disposal, each with different protective capabilities. In this paper, we study security games featuring multiple defenders and schedules simultaneously. We show that unlike prior work on multi-defender security games, the introduction of schedules can cause non-existence of equilibrium even under rather restricted environments. We prove that under the mild restriction that any subset of a schedule is also a schedule, non-existence of equilibrium is not only avoided, but can be computed in polynomial time in games with two defenders. Under additional assumptions, our algorithm can be extended to games with more than two defenders and its computation scaled up in special classes of games with compactly represented schedules such as those used in patrolling applications. Experimental results suggest that our methods scale gracefully with game size, making our algorithms amongst the few that can tackle multiple heterogeneous defenders.
Diffusion 3D Features (Diff3F): Decorating Untextured Shapes with Distilled Semantic Features

We present Diff3F as a simple, robust, and class-agnostic feature descriptor that can be computed for untextured input shapes (meshes or point clouds). Our method distills diffusion features from image foundational models onto input shapes. Specifically, we use the input shapes to produce depth and normal maps as guidance for conditional image synthesis, and in the process produce (diffusion) features in 2D that we subsequently lift and aggregate on the original surface. Our key observation is that even if the conditional image generations obtained from multi-view rendering of the input shapes are inconsistent, the associated image features are robust and can be directly aggregated across views. This produces semantic features on the input shapes, without requiring additional data or training. We perform extensive experiments on multiple benchmarks (SHREC'19, SHREC'20, and TOSCA) and demonstrate that our features, being semantic instead of geometric, produce reliable correspondence across both isometeric and non-isometrically related shape families.
FHEmem: A Processing In-Memory Accelerator for Fully Homomorphic Encryption

Fully Homomorphic Encryption (FHE) is a technique that allows arbitrary computations to be performed on encrypted data without the need for decryption, making it ideal for securing many emerging applications. However, FHE computation is significantly slower than computation on plain data due to the increase in data size after encryption. Processing In-Memory (PIM) is a promising technology that can accelerate data-intensive workloads with extensive parallelism. However, FHE is challenging for PIM acceleration due to the long-bitwidth multiplications and complex data movements involved. We propose a PIM-based FHE accelerator, FHEmem, which exploits a novel processing in-memory architecture to achieve high-throughput and efficient acceleration for FHE. We propose an optimized end-to-end processing flow, from low-level hardware processing to high-level application mapping, that fully exploits the high throughput of FHEmem hardware. Our evaluation shows FHEmem achieves significant speedup and efficiency improvement over state-of-the-art FHE accelerators.
Majorization-Minimization based Hybrid Localization Method for High Precision Localization in Sensor Networks

—This paper investigates the hybrid source localization problem using the four radio measurements - time of arrival (TOA), time difference of arrival (TDOA), received signal strength (RSS) and angle of arrival (AOA). First, after invoking tractable approximations in the RSS and AOA models, the maximum likelihood estimation (MLE) problem for the hybrid TOA-TDOA-RSS-AOA data model is derived. Then in the MLE, which has the least-squares objective, weights determined using the range-based characteristics of the four heterogeneous measurements are introduced. The resultant weighted least-squares problem, which is non-smooth and non-convex, is solved using the principle of the majorization-minimization (MM), leading to an iterative algorithm that has a guaranteed convergence. The key feature of the proposed method is that it provides a uniﬁed framework where localization using any possible merger out of these four measurements can be implemented as per the requirement/application. Extensive numerical simulations are conducted to study the estimation efﬁciency of the proposed method. The proposed method employing all four measurements is compared against the state-of-the-art methods. The results obtained indicate that the hybrid localization model improves the localization accuracy compared to the heterogeneous measurements. The integration of different measurements also yields good accuracy in the presence of non-line of sight (NLOS) errors.