Miracle-dz/UniFAR-FTUs huggingface dataset:
Cyclic ferroelectric switching and quantized charge transport in 
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The van der Waals layered ferroelectric CuInP$_2$S$_6$ has been found to exhibit a variety of intriguing properties arising from the fact that the Cu ions are unusually mobile in this system. While the polarization switching mechanism is usually understood to arise from Cu ion motion within the monolayers, a second switching path involving Cu motion across the van der Waals gaps has been suggested. In this work, we perform zero-temperature first-principles calculations on such switching paths, focusing on two types that preserve the periodicity of the primitive unit cell: ``cooperative"paths preserving the system's glide mirror symmetry, and ``sequential"paths in which the two Cu ions in the unit cell move independently of each other. We find that CuInP$_2$S$_6$ features a rich and varied energy landscape, and that sequential paths are clearly favored energetically both for cross-gap and through-layer paths. Importantly, these segments can be assembled to comprise a globally insulating cycle with the out-of-plane polarization evolving by a quantum as the Cu ions shift to neighboring layers. In this sense, we argue that CuInP$_2$S$_6$ embodies the physics of a quantized adiabatic charge pump.
Adiabatic ground-state preparation of fermionic many-body systems from a two-body perspective

A well-known method to prepare ground states of fermionic many-body hamiltonians is adiabatic state preparation, in which an easy to prepare state is time-evolved towards an approximate ground state under a specific time-dependent hamiltonian. However, which path to take in the evolution is often unclear, and a direct linear interpolation, which is the most common method, may not be optimal. In this work, we explore new types of adiabatic paths based on the spectral decomposition of the two-body projection of the residual hamiltonian (the difference between the final and initial hamiltonian). The decomposition defines a set of hamiltonian terms which may be adiabatically interpolated in a piecewise or combined fashion. We demonstrate the usefulness of partially piecewise interpolation through examples involving Fermi-Hubbard models where, due to symmetries, level crossings occur in direct (fully combined) interpolation. We show that this specific deviation from a direct path appropriately breaks the relevant symmetries, thus avoiding level crossings and enabling an adiabatic passage. On the other hand, we show that a fully piecewise scheme, which interpolates every hamiltonian term separately, exhibits a worst-case complexity of $O(L^6/\Delta^3)$ as compared to $O(L^4/\Delta^3)$ for direct interpolation, in terms of the number of one-body modes $L$ and the minimal gap $\Delta$ along the path. This suboptimality result suggests that only those terms which break necessary symmetries should be taken into account for piecewise interpolation, while the rest is treated with direct interpolation.
Touch and deformation perception of soft manipulators with capacitive e-skins and deep learning

Tactile sensing in soft robots remains particularly challenging because of the coupling between contact and deformation information which the sensor is subject to during actuation and interaction with the environment. This often results in severe interference and makes disentangling tactile sensing and geometric deformation difficult. To address this problem, this paper proposes a soft capacitive e-skin with a sparse electrode distribution and deep learning for information decoupling. Our approach successfully separates tactile sensing from geometric deformation, enabling touch recognition on a soft pneumatic actuator subject to both internal (actuation) and external (manual handling) forces. Using a multi-layer perceptron, the proposed e-skin achieves 99.88\% accuracy in touch recognition across a range of deformations. When complemented with prior knowledge, a transformer-based architecture effectively tracks the deformation of the soft actuator. The average distance error in positional reconstruction of the manipulator is as low as 2.905$\pm$2.207 mm, even under operative conditions with different inflation states and physical contacts which lead to additional signal variations and consequently interfere with deformation tracking. These findings represent a tangible way forward in the development of e-skins that can endow soft robots with proprioception and exteroception.
Revisiting Gradient Clipping: Stochastic bias and tight convergence guarantees

Gradient clipping is a popular modification to standard (stochastic) gradient descent, at every iteration limiting the gradient norm to a certain value $c>0$. It is widely used for example for stabilizing the training of deep learning models (Goodfellow et al., 2016), or for enforcing differential privacy (Abadi et al., 2016). Despite popularity and simplicity of the clipping mechanism, its convergence guarantees often require specific values of $c$ and strong noise assumptions. In this paper, we give convergence guarantees that show precise dependence on arbitrary clipping thresholds $c$ and show that our guarantees are tight with both deterministic and stochastic gradients. In particular, we show that (i) for deterministic gradient descent, the clipping threshold only affects the higher-order terms of convergence, (ii) in the stochastic setting convergence to the true optimum cannot be guaranteed under the standard noise assumption, even under arbitrary small step-sizes. We give matching upper and lower bounds for convergence of the gradient norm when running clipped SGD, and illustrate these results with experiments.
GW_CLASS: Cosmological Gravitational Wave Background in the cosmic linear anisotropy solving system

The anisotropies of the Cosmological Gravitational Wave Background (CGWB) retain information about the primordial mechanisms that source the gravitational waves and about the geometry and the particle content of the universe at early times. In this work, we discuss in detail the computation of the angular power spectra of CGWB anisotropies and of their cross correlation with Cosmic Microwave Background (CMB) anisotropies, assuming different processes for the generation of these primordial signals. We present an efficient implementation of our results in a modified version of CLASS which will be publicly available. By combining our new code GW_CLASS with MontePython, we forecast the combined sensitivity of future gravitational wave interferometers and CMB experiments to the cosmological parameters that characterize the cosmological gravitational wave background.
More Than an Arm: Using a Manipulator as a Tail for Enhanced Stability in Legged Locomotion

Is a manipulator on a legged robot a liability or an asset for locomotion? Prior works mainly designed specific controllers to account for the added payload and inertia from a manipulator. In contrast, biological systems typically benefit from additional limbs, which can simplify postural control. For instance, cats use their tails to enhance the stability of their bodies and prevent falls under disturbances. In this work, we show that a manipulator can be an important asset for maintaining balance during locomotion. To do so, we train a sensorimotor policy using deep reinforcement learning to create a synergy between the robot's limbs. This policy enables the robot to maintain stability despite large disturbances. However, learning such a controller can be quite challenging. To account for these challenges, we propose a stage-wise training procedure to learn complex behaviors. Our proposed method decomposes this complex task into three stages and then incrementally learns these tasks to arrive at a single policy capable of solving the final control task, achieving a success rate up to 2.35 times higher than baselines in simulation. We deploy our learned policy in the real world and show stability during locomotion under strong disturbances.
Optimal Power Assignment for MIMO Channels Under Joint Total and Per-Group Power Constraints

In this paper we consider a communication system with one transmitter and one receiver. The transmit antennas are partitioned into disjoint groups, and each group must satisfy an average power constraint in addition to the standard overall one. The optimal power allocation (OPA) for the transmit antennas is obtained for the following cases: (i) fixed multiple-input multiple-output (MIMO) orthogonal channel, (ii) i.i. d. fading MIMO orthogonal channel, and (iii) i.i. d. Rayleigh fading multiple-input single-output (MISO) and MIMO channels. The channel orthogonality is encountered in the practical case of the massive MIMO channel under favorable propagation conditions. The closed-form solution to the OPA for a fixed channel is found using the Karush-Kuhn-Tucker (KKT) conditions and it is similar to the standard water-filling procedure while the effect of the per-group average power constraint is added. For a fading channel, an algorithm is proposed to give the OPA, and the algorithm's convergence is proved via a majorization inequality and a Schur-concavity property.
Get Back Here: Robust Imitation by Return-to-Distribution Planning

We consider the Imitation Learning (IL) setup where expert data are not collected on the actual deployment environment but on a different version. To address the resulting distribution shift, we combine behavior cloning (BC) with a planner that is tasked to bring the agent back to states visited by the expert whenever the agent deviates from the demonstration distribution. The resulting algorithm, POIR, can be trained offline, and leverages online interactions to efficiently fine-tune its planner to improve performance over time. We test POIR on a variety of human-generated manipulation demonstrations in a realistic robotic manipulation simulator and show robustness of the learned policy to different initial state distributions and noisy dynamics.
Fast Path Planning Through Large Collections of Safe Boxes

We present a fast algorithm for the design of smooth paths (or trajectories) that are constrained to lie in a collection of axis-aligned boxes. We consider the case where the number of these safe boxes is large, and basic preprocessing of them (such as finding their intersections) can be done offline. At runtime we quickly generate a smooth path between given initial and terminal positions. Our algorithm designs trajectories that are guaranteed to be safe at all times, and detects infeasibility whenever such a trajectory does not exist. Our algorithm is based on two subproblems that we can solve very efficiently: finding a shortest path in a weighted graph, and solving (multiple) convex optimal-control problems. We demonstrate the proposed path planner on large-scale numerical examples, and we provide an efficient open-source software implementation, fastpathplanning.
Generalization for slowly mixing processes

A bound uniform over various loss-classes is given for data generated by stationary and phi-mixing processes, where the mixing time (the time needed to obtain approximate independence) enters the sample complexity only in an additive way. For slowly mixing processes this can be a considerable advantage over results with multiplicative dependence on the mixing time. The admissible loss-classes include functions with prescribed Lipschitz norms or smoothness parameters. The bound can also be applied to be uniform over unconstrained loss-classes, where it depends on local Lipschitz properties of the function on the sample path.
Safe Autonomous Driving in Adverse Weather: Sensor Evaluation and Performance Monitoring

The vehicle’s perception sensors radar, lidar and camera, which must work continuously and without restriction, especially with regard to automated/autonomous driving, can lose performance due to unfavourable weather conditions. This paper analyzes the sensor signals of these three sensor technologies under rain and fog as well as day and night. A data set of a driving test vehicle as an object target under different weather conditions was recorded in a controlled environment with adjustable, defined, and reproducible weather conditions. Based on the sensor performance evaluation, a method has been developed to detect sensor degradation, including determining the affected data areas and estimating how severe they are. Through this sensor monitoring, measures can be taken in subsequent algorithms to reduce the influences or to take them into account in safety and assistance systems to avoid malfunctions.
Advancing inverse scattering with surrogate modeling and Bayesian inference for functional inputs

Inverse scattering aims to infer information about a hidden object by using the received scattered waves and training data collected from forward mathematical models. Recent advances in computing have led to increasing attention towards functional inverse inference, which can reveal more detailed properties of a hidden object. However, rigorous studies on functional inverse, including the reconstruction of the functional input and quantification of uncertainty, remain scarce. Motivated by an inverse scattering problem where the objective is to infer the functional input representing the refractive index of a bounded scatterer, a new Bayesian framework is proposed. It contains a surrogate model that takes into account the functional inputs directly through kernel functions, and a Bayesian procedure that infers functional inputs through the posterior distribution. Furthermore, the proposed Bayesian framework is extended to reconstruct functional inverse by integrating multi-fidelity simulations, including a high-fidelity simulator solved by finite element methods and a low-fidelity simulator called the Born approximation. When compared with existing alternatives developed by finite basis expansion, the proposed method provides more accurate functional recoveries with smaller prediction variations.
NFT Wash Trading Detection

Wash trading is a form of market manipulation where the same entity sells an asset to themselves to drive up market prices, launder money under the cover of a legitimate transaction, or claim a tax loss without losing ownership of an asset. Although the practice is illegal with traditional assets, lack of supervision in the non-fungible token market enables criminals to wash trade and scam unsuspecting buyers while operating under regulators radar. AnChain.AI designed an algorithm that flags transactions within an NFT collection history as wash trades when a wallet repurchases a token within 30 days of previously selling it. The algorithm also identifies intermediate transactions within a wash trade cycle. Testing on 7 popular NFT collections reveals that on average, 0.14% of transactions, 0.11% of wallets, and 0.16% of tokens in each collection are involved in wash trading. These wash trades generate an overall total price manipulation, sales, and repurchase profit of \$900K, \$1.1M, and negative \$1.6M respectively. The results draw attention to the prevalent market manipulation taking place and inform unsuspecting buyers which tokens and sellers may be involved in criminal activity.
A General Static Binary Rewriting Framework for WebAssembly

Binary rewriting is a widely adopted technique in software analysis. WebAssembly (Wasm), as an emerging bytecode format, has attracted great attention from our community. Unfortunately, there is no general-purpose binary rewriting framework for Wasm, and existing effort on Wasm binary modification is error-prone and tedious. In this paper, we present BREWasm, the first general purpose static binary rewriting framework for Wasm, which has addressed inherent challenges of Wasm rewriting including high complicated binary structure, strict static syntax verification, and coupling among sections. We perform extensive evaluation on diverse Wasm applications to show the efficiency, correctness and effectiveness of BREWasm. We further show the promising direction of implementing a diverse set of binary rewriting tasks based on BREWasm in an effortless and user-friendly manner.
Towards Unified AI Drug Discovery with Multiple Knowledge Modalities

In recent years, AI models that mine intrinsic patterns from molecular structures and protein sequences have shown promise in accelerating drug discovery. However, these methods partly lag behind real-world pharmaceutical approaches of human experts that additionally grasp structured knowledge from knowledge bases and unstructured knowledge from biomedical literature. To bridge this gap, we propose KEDD, a unified, end-to-end, and multimodal deep learning framework that optimally incorporates both structured and unstructured knowledge for vast AI drug discovery tasks. The framework first extracts underlying characteristics from heterogeneous inputs, and then applies multimodal fusion for accurate prediction. To mitigate the problem of missing modalities, we leverage multi-head sparse attention and a modality masking mechanism to extract relevant information robustly. Benefiting from integrated knowledge, our framework achieves a deeper understanding of molecule entities, brings significant improvements over state-of-the-art methods on a wide range of tasks and benchmarks, and reveals its promising potential in assisting real-world drug discovery.
Double gyroid structures made of asymmetric dimers

ABSTRACT Gyroid cubic phases are interesting for both scientists and engineers due to possible applications in electronic devices. New series of dimeric molecules, despite their flexible molecular structure, can display double gyroid cubic phase with Ia3d symmetry and lattice parameter corresponding to double molecular length. The cubic phase is structurally related to columnar phase and both phases often coexist in the same temperature window. Apparently, for studied compounds stronger molecular asymmetry promotes cubic structure. Interestingly, for the examined compounds the transition between two isotropic liquids was observed. GRAPHICAL ABSTRACT
Transfer Estimates for Causal Effects across Heterogeneous Sites

We consider the problem of extrapolating treatment effects across heterogeneous populations (``sites"/``contexts"). We consider an idealized scenario in which the researcher observes cross-sectional data for a large number of units across several ``experimental"sites in which an intervention has already been implemented to a new ``target"site for which a baseline survey of unit-specific, pre-treatment outcomes and relevant attributes is available. Our approach treats the baseline as functional data, and this choice is motivated by the observation that unobserved site-specific confounders manifest themselves not only in average levels of outcomes, but also how these interact with observed unit-specific attributes. We consider the problem of determining the optimal finite-dimensional feature space in which to solve that prediction problem. Our approach is design-based in the sense that the performance of the predictor is evaluated given the specific, finite selection of experimental and target sites. Our approach is nonparametric, and our formal results concern the construction of an optimal basis of predictors as well as convergence rates for the estimated conditional average treatment effect relative to the constrained-optimal population predictor for the target site. We illustrate our approach using a combined data set of five multi-site randomized controlled trials (RCTs) to evaluate the effect of conditional cash transfers on school attendance.
Hecke eigenforms for meromorphic cusp forms

In this paper, we construct Hecke eigenforms for two families of quotient spaces of meromorphic cusp forms on $\mathrm{SL}_2(\mathbb{Z})$. We show that each quotient space in the first (resp. second family) is isomorphic as a Hecke module to the space $S_{2k}$ (resp. $M_{2k}$) of cusp forms (resp. holomorphic modular forms) of the same weight on $\mathrm{SL}_2(\mathbb{Z})$.
Basic syntax from speech: Spontaneous concatenation in unsupervised deep neural networks

Computational models of syntax are predominantly text-based. Here we propose that basic syntax can be modeled directly from raw speech in a fully unsupervised way. We focus on one of the most ubiquitous and basic properties of syntax -- concatenation. We introduce spontaneous concatenation: a phenomenon where convolutional neural networks (CNNs) trained on acoustic recordings of individual words start generating outputs with two or even three words concatenated without ever accessing data with multiple words in the input. Additionally, networks trained on two words learn to embed words into novel unobserved word combinations. To our knowledge, this is a previously unreported property of CNNs trained on raw speech in the Generative Adversarial Network setting and has implications both for our understanding of how these architectures learn as well as for modeling syntax and its evolution from raw acoustic inputs.
HTPS: Heterogeneous Transferring Prediction System for Healthcare Datasets

Medical internet of things leads to revolutionary improvements in medical services, also known as smart healthcare. With the big healthcare data, data mining and machine learning can assist wellness management and intelligent diagnosis, and achieve the P4-medicine. However, healthcare data has high sparsity and heterogeneity. In this paper, we propose a Heterogeneous Transferring Prediction System (HTPS). Feature engineering mechanism transforms the dataset into sparse and dense feature matrices, and autoencoders in the embedding networks not only embed features but also transfer knowledge from heterogeneous datasets. Experimental results show that the proposed HTPS outperforms the benchmark systems on various prediction tasks and datasets, and ablation studies present the effectiveness of each designed mechanism. Experimental results demonstrate the negative impact of heterogeneous data on benchmark systems and the high transferability of the proposed HTPS.
Network method for voxel-pair-level brain connectivity analysis under spatial-contiguity constraints

Brain connectome analysis commonly compresses high-resolution brain scans (typically composed of millions of voxels) down to only hundreds of regions of interest (ROIs) by averaging within-ROI signals. This huge dimension reduction improves computational speed and the morphological properties of anatomical structures; however, it also comes at the cost of substantial losses in spatial specificity and sensitivity, especially when the signals exhibit high within-ROI heterogeneity. Oftentimes, abnormally expressed functional connectivity (FC) between a pair of ROIs caused by a brain disease is primarily driven by only small subsets of voxel pairs within the ROI pair. This article proposes a new network method for detection of voxel-pair-level neural dysconnectivity with spatial constraints. Specifically, focusing on an ROI pair, our model aims to extract dense sub-areas that contain aberrant voxel-pair connections while ensuring that the involved voxels are spatially contiguous. In addition, we develop sub-community-detection algorithms to realize the model, and the consistency of these algorithms is justified. Comprehensive simulation studies demonstrate our method's effectiveness in reducing the false-positive rate while increasing statistical power, detection replicability, and spatial specificity. We apply our approach to reveal: (i) voxel-wise schizophrenia-altered FC patterns within the salience and temporal-thalamic network from 330 participants in a schizophrenia study; (ii) disrupted voxel-wise FC patterns related to nicotine addiction between the basal ganglia, hippocampus, and insular gyrus from 3269 participants using UK Biobank data. The detected results align with previous medical findings but include improved localized information.