Search

Motivated by in-context learning (ICL) capabilities of Large Language models (LLMs), multimodal LLMs with additional visual modality are also exhibited with similar ICL abilities when multiple image-text pairs are provided as demonstrations. However, relatively less work has been done to investigate the principles behind how and why multimodal ICL works. We conduct a systematic and principled evaluation of multimodal ICL for models of different scales on a broad spectrum of new yet critical tasks. Through perturbations over different modality information, we show that modalities matter differently across tasks in multimodal ICL. Considering such modality impact, we further utilize modality-driven demonstration strategies to boost ICL performance. We also identify that demonstration selection is closely related to the models' ability to capture task inductive biases from multimodal ICL. Our principled analysis provides a comprehensive way of understanding the role of demonstrations in multimodal in-context learning, and sheds light on effectively improving multimodal ICL on a wide range of tasks even if those tasks are not seen in or even contradict pretraining data.

Long-context modeling capabilities have garnered widespread attention, leading to the emergence of Large Language Models (LLMs) with ultra-context windows. Meanwhile, benchmarks for evaluating long-context LLMs are gradually catching up. However, existing benchmarks employ irrelevant noise texts to artificially extend the length of test cases, diverging from the real-world scenarios of long-context applications. To bridge this gap, we propose a novel long-context benchmark, Loong, aligning with realistic scenarios through extended multi-document question answering (QA). Unlike typical document QA, in Loong's test cases, each document is relevant to the final answer, ignoring any document will lead to the failure of the answer. Furthermore, Loong introduces four types of tasks with a range of context lengths: Spotlight Locating, Comparison, Clustering, and Chain of Reasoning, to facilitate a more realistic and comprehensive evaluation of long-context understanding. Extensive experiments indicate that existing long-context language models still exhibit considerable potential for enhancement. Retrieval augmented generation (RAG) achieves poor performance, demonstrating that Loong can reliably assess the model's long-context modeling capabilities., Comment: We release our code and data publicly at https://github.com/MozerWang/Loong

Direct preference optimization (DPO) has shown to be an effective method for large language model (LLM) alignment. Recent works have attempted to apply DPO to multimodal scenarios but have found it challenging to achieve consistent improvement. Through a comparative experiment, we identify the unconditional preference problem in multimodal preference optimization, where the model overlooks the image condition. To address this problem, we propose mDPO, a multimodal DPO objective that prevents the over-prioritization of language-only preferences by also optimizing image preference. Moreover, we introduce a reward anchor that forces the reward to be positive for chosen responses, thereby avoiding the decrease in their likelihood -- an intrinsic problem of relative preference optimization. Experiments on two multimodal LLMs of different sizes and three widely used benchmarks demonstrate that mDPO effectively addresses the unconditional preference problem in multimodal preference optimization and significantly improves model performance, particularly in reducing hallucination.

Inspired by the Bloch Sphere representation, we propose a novel rotary position encoding on a three-dimensional sphere, named 3D Rotary Position Encoding (3D-RPE). 3D-RPE is an advanced version of the widely used 2D Rotary Position Encoding (RoPE), with two major advantages for modeling long contexts: controllable long-term decay and improved position resolution. For controllable long-term decay, 3D-RPE allows for the regulation of long-term decay within the chunk size, ensuring the modeling of relative positional information between tokens at a distant relative position. For enhanced position resolution, 3D-RPE can mitigate the degradation of position resolution caused by position interpolation on RoPE. We have conducted experiments on long-context Natural Language Understanding (NLU) and long-sequence Language Modeling (LM) tasks. From the experimental results, 3D-RPE achieved performance improvements over RoPE, especially in long-context NLU tasks.

We introduce MuirBench, a comprehensive benchmark that focuses on robust multi-image understanding capabilities of multimodal LLMs. MuirBench consists of 12 diverse multi-image tasks (e.g., scene understanding, ordering) that involve 10 categories of multi-image relations (e.g., multiview, temporal relations). Comprising 11,264 images and 2,600 multiple-choice questions, MuirBench is created in a pairwise manner, where each standard instance is paired with an unanswerable variant that has minimal semantic differences, in order for a reliable assessment. Evaluated upon 20 recent multi-modal LLMs, our results reveal that even the best-performing models like GPT-4o and Gemini Pro find it challenging to solve MuirBench, achieving 68.0% and 49.3% in accuracy. Open-source multimodal LLMs trained on single images can hardly generalize to multi-image questions, hovering below 33.3% in accuracy. These results highlight the importance of MuirBench in encouraging the community to develop multimodal LLMs that can look beyond a single image, suggesting potential pathways for future improvements., Comment: typos corrected, references added, Project Page: https://muirbench.github.io/

Moir\'e superlattices have become an emergent solid-state platform for simulating quantum lattice models. However, in single moir\'e device, Hamiltonians parameters like lattice constant, hopping and interaction terms can hardly be manipulated, limiting the controllability and accessibility of moire quantum simulator. Here, by combining angle-resolved photoemission spectroscopy and theoretical analysis, we demonstrate that high-order moir\'e patterns in graphene-monolayered xenon/krypton heterostructures can simulate honeycomb model in mesoscale, with in-situ tunable Hamiltonians parameters. The length scale of simulated lattice constant can be tuned by annealing processes, which in-situ adjusts intervalley interaction and hopping parameters in the simulated honeycomb lattice. The sign of the lattice constant can be switched by choosing xenon or krypton monolayer deposited on graphene, which controls sublattice degree of freedom and valley arrangment of Dirac fermions. Our work establishes a novel path for experimentally simulating the honeycomb model with tunable parameters by high-order moir\'e patterns., Comment: 19 pages, 5 figure

In the fields of computer vision and natural language processing, multimodal chart question-answering, especially involving color, structure, and textless charts, poses significant challenges. Traditional methods, which typically involve either direct multimodal processing or a table-to-text conversion followed by language model analysis, have limitations in effectively handling these complex scenarios. This paper introduces a novel multimodal chart question-answering model, specifically designed to address these intricate tasks. Our model integrates visual and linguistic processing, overcoming the constraints of existing methods. We adopt a dual-phase training approach: the initial phase focuses on aligning image and text representations, while the subsequent phase concentrates on optimizing the model's interpretative and analytical abilities in chart-related queries. This approach has demonstrated superior performance on multiple public datasets, particularly in handling color, structure, and textless chart questions, indicating its effectiveness in complex multimodal tasks.

Performance of large language models (LLMs) may vary with different prompts or instructions of even the same task. One commonly recognized factor for this phenomenon is the model's familiarity with the given prompt or instruction, which is typically estimated by its perplexity. However, finding the prompt with the lowest perplexity is challenging, given the enormous space of possible prompting phrases. In this paper, we propose monotonic paraphrasing (MonoPara), an end-to-end decoding strategy that paraphrases given prompts or instructions into their lower perplexity counterparts based on an ensemble of a paraphrase LM for prompt (or instruction) rewriting, and a target LM (i.e. the prompt or instruction executor) that constrains the generation for lower perplexity. The ensemble decoding process can efficiently paraphrase the original prompt without altering its semantic meaning, while monotonically decreasing the perplexity of each generation as calculated by the target LM. We explore in detail both greedy and search-based decoding as two alternative decoding schemes of MonoPara. Notably, MonoPara does not require any training and can monotonically lower the perplexity of the paraphrased prompt or instruction, leading to improved performance of zero-shot LM prompting as evaluated on a wide selection of tasks. In addition, MonoPara is also shown to effectively improve LMs' generalization on perturbed and unseen task instructions., Comment: Under review at ARR 2024 April

Electronic states near surface regions can be distinct from bulk states, which are paramount in understanding various physical phenomena occurring at surfaces and in applications in semiconductors, energy, and catalysis. Here, we report an abnormal surface region band enhancement effect in angle-resolved photoemission spectroscopy on kagome superconductor RbV3Sb5, by depositing noble gases with fine control. In contrast to conventional surface contamination, the intensity of surface region Sb band can be enhanced more than three times with noble gas adsorption. In the meantime, a hole-dope effect is observed for the enhanced surface region band, with other bands hardly changing. The doping effect is more pronounced with heavier noble gases. We propose that noble gas atoms selectively fill into alkali metal vacancy sites on the surface, which improves the surface condition, boosts surface region bands, and effectively dopes it with the Pauli repulsion mechanism. Our results provide a novel and reversible way to improve surface conditions and tune surface region bands by controlled surface noble gas deposition., Comment: 17 pages,4 figures

The difficulty of the information extraction task lies in dealing with the task-specific label schemas and heterogeneous data structures. Recent work has proposed methods based on large language models to uniformly model different information extraction tasks. However, these existing methods are deficient in their information extraction capabilities for Chinese languages other than English. In this paper, we propose an end-to-end chat-enhanced instruction tuning framework for universal information extraction (YAYI-UIE), which supports both Chinese and English. Specifically, we utilize dialogue data and information extraction data to enhance the information extraction performance jointly. Experimental results show that our proposed framework achieves state-of-the-art performance on Chinese datasets while also achieving comparable performance on English datasets under both supervised settings and zero-shot settings.

As the latest advancements in natural language processing, large language models (LLMs) have achieved human-level language understanding and generation abilities in many real-world tasks, and even have been regarded as a potential path to the artificial general intelligence. To better facilitate research on LLMs, many open-source LLMs, such as Llama 2 and Falcon, have recently been proposed and gained comparable performances to proprietary models. However, these models are primarily designed for English scenarios and exhibit poor performances in Chinese contexts. In this technical report, we propose YAYI 2, including both base and chat models, with 30 billion parameters. YAYI 2 is pre-trained from scratch on a multilingual corpus which contains 2.65 trillion tokens filtered by our pre-training data processing pipeline. The base model is aligned with human values through supervised fine-tuning with millions of instructions and reinforcement learning from human feedback. Extensive experiments on multiple benchmarks, such as MMLU and CMMLU, consistently demonstrate that the proposed YAYI 2 outperforms other similar sized open-source models.

Having the ability to empathize is crucial for accurately representing human behavior during conversations. Despite numerous research aim to improve the cognitive capability of models by incorporating external knowledge, there has been limited attention on the sensible and rational expression of the conversation itself, which are crucial components of the cognitive empathy. Guided by self-presentation theory in sociology, we have designed an innovative categorical approach that segregates historical dialogues into sensible and rational sentences and subsequently elucidate the context through the designed attention mechanism. However, the rational information within the conversation is restricted and the external knowledge used in previous methods have limitations of semantic contradiction and narrow vision field. Considering the impressive performance of LLM in the domain of intelligent agent. We employ LLaMA2-70b as a rational brain to analyze the profound logical information maintained in conversations, which assists the model assessing the balance of sensibility and rationality to produce quality empathetic responses. Experimental evaluations demonstrate that our method outperforms other comparable methods on both automatic and human evaluations.

Infrared and Raman spectroscopy are widely used for the characterization of gases, liquids, and solids, as the spectra contain a wealth of information concerning in particular the dynamics of these systems. Atomic scale simulations can be used to predict such spectra but are often severely limited due to high computational cost or the need for strong approximations that limit application range and reliability. Here, we introduce a machine learning (ML) accelerated approach that addresses these shortcomings and provides a significant performance boost in terms of data and computational efficiency compared to earlier ML schemes. To this end, we generalize the neuroevolution potential approach to enable the prediction of rank one and two tensors to obtain the tensorial neuroevolution potential (TNEP) scheme. We apply the resulting framework to construct models for the dipole moment, polarizability, and susceptibility of molecules, liquids, and solids, and show that our approach compares favorably with several ML models from the literature with respect to accuracy and computational efficiency. Finally, we demonstrate the application of the TNEP approach to the prediction of infrared and Raman spectra of liquid water, a molecule (PTAF-), and a prototypical perovskite with strong anharmonicity (BaZrO3). The TNEP approach is implemented in the free and open source software package GPUMD, which makes this methodology readily available to the scientific community., Comment: 11 pages, 6 figures

In recent years, Text-to-Image (T2I) models have seen remarkable advancements, gaining widespread adoption. However, this progress has inadvertently opened avenues for potential misuse, particularly in generating inappropriate or Not-Safe-For-Work (NSFW) content. Our work introduces MMA-Diffusion, a framework that presents a significant and realistic threat to the security of T2I models by effectively circumventing current defensive measures in both open-source models and commercial online services. Unlike previous approaches, MMA-Diffusion leverages both textual and visual modalities to bypass safeguards like prompt filters and post-hoc safety checkers, thus exposing and highlighting the vulnerabilities in existing defense mechanisms., Comment: CVPR 2024. Our codes and benchmarks are available at https://github.com/cure-lab/MMA-Diffusion

While large language models (LLMs) have demonstrated increasing power, they have also given rise to a wide range of harmful behaviors. As representatives, jailbreak attacks can provoke harmful or unethical responses from LLMs, even after safety alignment. In this paper, we investigate a novel category of jailbreak attacks specifically designed to target the cognitive structure and processes of LLMs. Specifically, we analyze the safety vulnerability of LLMs in the face of (1) multilingual cognitive overload, (2) veiled expression, and (3) effect-to-cause reasoning. Different from previous jailbreak attacks, our proposed cognitive overload is a black-box attack with no need for knowledge of model architecture or access to model weights. Experiments conducted on AdvBench and MasterKey reveal that various LLMs, including both popular open-source model Llama 2 and the proprietary model ChatGPT, can be compromised through cognitive overload. Motivated by cognitive psychology work on managing cognitive load, we further investigate defending cognitive overload attack from two perspectives. Empirical studies show that our cognitive overload from three perspectives can jailbreak all studied LLMs successfully, while existing defense strategies can hardly mitigate the caused malicious uses effectively.

Machine-learned potentials (MLPs) have exhibited remarkable accuracy, yet the lack of general-purpose MLPs for a broad spectrum of elements and their alloys limits their applicability. Here, we present a feasible approach for constructing a unified general-purpose MLP for numerous elements, demonstrated through a model (UNEP-v1) for 16 elemental metals and their alloys. To achieve a complete representation of the chemical space, we show, via principal component analysis and diverse test datasets, that employing one-component and two-component systems suffices. Our unified UNEP-v1 model exhibits superior performance across various physical properties compared to a widely used embedded-atom method potential, while maintaining remarkable efficiency. We demonstrate our approach's effectiveness through reproducing experimentally observed chemical order and stable phases, and large-scale simulations of plasticity and primary radiation damage in MoTaVW alloys. This work represents a significant leap towards a unified general-purpose MLP encompassing the periodic table, with profound implications for materials science., Comment: Main text with 17 pages and 8 figures; supplementary with 26 figures and 4 tables; source code and training/test data available

Many discriminative natural language understanding (NLU) tasks have large label spaces. Learning such a process of large-space decision making is particularly challenging due to the lack of training instances per label and the difficulty of selection among many fine-grained labels. Inspired by dense retrieval methods for passage finding in open-domain QA, we propose a reformulation of large-space discriminative NLU tasks as a learning-to-retrieve task, leading to a novel solution named Dense Decision Retrieval (DDR ). Instead of predicting fine-grained decisions as logits, DDR adopts a dual-encoder architecture that learns to predict by retrieving from a decision thesaurus. This approach not only leverages rich indirect supervision signals from easy-to-consume learning resources for dense retrieval, it also leads to enhanced prediction generalizability with a semantically meaningful representation of the large decision space. When evaluated on tasks with decision spaces ranging from hundreds to hundred-thousand scales, DDR outperforms strong baselines greatly by 27.54% in P@1 on two extreme multi-label classification tasks, 1.17% in F1 score ultra-fine entity typing, and 1.26% in accuracy on three few-shot intent classification tasks on average. Code and resources are available at https://github.com/luka-group/DDR, Comment: EMNLP 2023 (Findings)

While recent studies have looked into the abilities of large language models in various benchmark tasks, including question generation, reading comprehension, multilingual and etc, there have been few studies looking into the controllability of large language models on generation tasks. We present an extensive analysis of various benchmarks including a sentence planning benchmark with different granularities. After comparing large language models against state-of-the-start finetuned smaller models, we present a spectrum showing large language models falling behind, are comparable, or exceed the ability of smaller models. We conclude that **large language models struggle at meeting fine-grained hard constraints**., Comment: EMNLP 2023

The aligned Large Language Models (LLMs) are powerful language understanding and decision-making tools that are created through extensive alignment with human feedback. However, these large models remain susceptible to jailbreak attacks, where adversaries manipulate prompts to elicit malicious outputs that should not be given by aligned LLMs. Investigating jailbreak prompts can lead us to delve into the limitations of LLMs and further guide us to secure them. Unfortunately, existing jailbreak techniques suffer from either (1) scalability issues, where attacks heavily rely on manual crafting of prompts, or (2) stealthiness problems, as attacks depend on token-based algorithms to generate prompts that are often semantically meaningless, making them susceptible to detection through basic perplexity testing. In light of these challenges, we intend to answer this question: Can we develop an approach that can automatically generate stealthy jailbreak prompts? In this paper, we introduce AutoDAN, a novel jailbreak attack against aligned LLMs. AutoDAN can automatically generate stealthy jailbreak prompts by the carefully designed hierarchical genetic algorithm. Extensive evaluations demonstrate that AutoDAN not only automates the process while preserving semantic meaningfulness, but also demonstrates superior attack strength in cross-model transferability, and cross-sample universality compared with the baseline. Moreover, we also compare AutoDAN with perplexity-based defense methods and show that AutoDAN can bypass them effectively., Comment: Published as a conference paper at ICLR 2024. Code is available at https://github.com/SheltonLiu-N/AutoDAN

Excitons, which represent a type of quasi-particles consisting of electron-hole pairs bound by the mutual Coulomb interaction, were often observed in lowly-doped semiconductors or insulators. However, realizing excitons in the semiconductors or insulators with high charge carrier densities is a challenging task. Here, we perform infrared spectroscopy, electrical transport, ab initio calculation, and angle-resolved-photoemission spectroscopy studies of a van der Waals degenerate-semiconductor Bi4O4SeCl2. A peak-like feature (i.e., alpha peak) is present around ~ 125 meV in the optical conductivity spectra at low temperature T = 8 K and room temperature. After being excluded from the optical excitations of free carriers, interband transitions, localized states and polarons, the alpha peak is assigned as the exciton absorption. Moreover, assuming the existence of weakly-bound excitons--Wannier-type excitons in this material violates the Lyddane-Sachs-Teller relation. Besides, the exciton binding energy of ~ 375 meV, which is about an order of magnitude larger than those of conventional semiconductors, and the charge-carrier concentration of ~ 1.25 * 10^19 cm^-3, which is higher than the Mott density, further indicate that the excitons in this highly-doped system should be tightly bound. Our results pave the way for developing the optoelectronic devices based on the tightly-bound and room-temperature-stable excitons in highly-doped van der Waals degenerate semiconductors., Comment: Accepted by Communications Materials

Chemical activation of the intrinsically inert basal planes of transition metal dichalcogenides (TMDs) is crucial for developing high-efficiency electrocatalysts for energy technology applications. Here we report the discovery of an efficient TMD-based topological catalyst for hydrogen evolution reaction (HER), containing high-density single-atom reactive centers on a few-layer (7x7)-PtTe2-x superstructure with a Te-vacancy density of x. Compared with pristine Pt(111), PtTe2, and (2x2)-PtTe2-x, (7x7)-PtTe2-x exhibits superior HER performance owing to its substantially increased density of undercoordinated Pt sites, and displays exceptional catalytic stability when operating at high current densities. Our first-principles calculations confirm that multiple types of undercoordinated Pt sites on (7x7)-PtTe2-x exhibit favorable hydrogen adsorption Gibbs free energies, and that the reactive sites can further increase their population upon increasing hydrogen coverage. Both the (2x2)- and (7x7)-PtTe2-x are also shown to possess nontrivial band topology with robust edge states that may further facilitate HER.

With the growing interest in pretrained vision-language models like CLIP, recent research has focused on adapting these models to downstream tasks. Despite achieving promising results, most existing methods require labeled data for all classes, which may not hold in real-world applications due to the long tail and Zipf's law. For example, some classes may lack labeled data entirely, such as emerging concepts. To address this problem, we propose a plug-and-play generative approach called \textbf{S}ynt\textbf{H}es\textbf{I}zed \textbf{P}rompts~(\textbf{SHIP}) to improve existing fine-tuning methods. Specifically, we follow variational autoencoders to introduce a generator that reconstructs the visual features by inputting the synthesized prompts and the corresponding class names to the textual encoder of CLIP. In this manner, we easily obtain the synthesized features for the remaining label-only classes. Thereafter, we fine-tune CLIP with off-the-shelf methods by combining labeled and synthesized features. Extensive experiments on base-to-new generalization, cross-dataset transfer learning, and generalized zero-shot learning demonstrate the superiority of our approach. The code is available at \url{https://github.com/mrflogs/SHIP}., Comment: Accepted by ICCV 2023

Existing event-centric NLP models often only apply to the pre-defined ontology, which significantly restricts their generalization capabilities. This paper presents CEO, a novel Corpus-based Event Ontology induction model to relax the restriction imposed by pre-defined event ontologies. Without direct supervision, CEO leverages distant supervision from available summary datasets to detect corpus-wise salient events and exploits external event knowledge to force events within a short distance to have close embeddings. Experiments on three popular event datasets show that the schema induced by CEO has better coverage and higher accuracy than previous methods. Moreover, CEO is the first event ontology induction model that can induce a hierarchical event ontology with meaningful names on eleven open-domain corpora, making the induced schema more trustworthy and easier to be further curated., Comment: EACL 2024 (Findings)

Given a prefix (context), open-ended generation aims to decode texts that are coherent, which do not abruptly drift from previous topics, and informative, which do not suffer from undesired repetitions. In this paper, we propose Look-back, an improved decoding algorithm that leverages the Kullback-Leibler divergence to track the distribution distance between current and historical decoding steps. Thus Look-back can automatically predict potential repetitive phrase and topic drift, and remove tokens that may cause the failure modes, restricting the next token probability distribution within a plausible distance to the history. We perform decoding experiments on document continuation and story generation, and demonstrate that Look-back is able to generate more fluent and coherent text, outperforming other strong decoding methods significantly in both automatic and human evaluations., Comment: EMNLP 2023

The gamma-ray burst GRB 221009A, known as the ``brightest-of-all-time" (BOAT), is the closest energetic burst detected so far, with an energy of $E_{\gamma,\rm iso} \sim 10^{55}$ ergs. This study aims to assess its compatibility with known GRB energy and luminosity distributions. Our analysis indicates that the energy/luminosity function of GRBs is consistent across various redshift intervals, and that the inclusion of GRB 221009A does not significantly impact the function at low redshifts. Additionally, our evaluation of the best-fitting result of the entire GRB sample suggests that the expected number of GRBs with energy greater than $10^{55}$ ergs at a low redshift is 0.2, so that the emergence of GRB 221009A is consistent with expected energy/luminosity functions within $\sim 2\sigma$ Poisson fluctuation error, still adhering to the principles of small number statistics. Furthermore, we find that GRB 221009A and other energetic bursts, defined as $E_{\gamma,\rm iso} \gtrsim10^{54} {\rm ergs}$, exhibit no significant differences in terms of distributions of $T_{90}$, minimum timescale, Amati relation, $E_{\rm \gamma,iso}$-$E_{\rm X,iso}$ relation, $L_{\gamma,\rm iso}-\Gamma_0$ relation, $E_{\gamma,\rm iso}-\Gamma_0$ relation, $L_{\gamma,\rm iso}-E_{\rm p,i}-\Gamma_0$ relation, and host galaxy properties, compared to normal long GRBs. This suggests that energetic GRBs (including GRB 221009A) and other long GRBs likely have similar progenitor systems and undergo similar energy dissipation and radiation processes. The generation of energetic GRBs may be due to more extreme central engine properties or, more likely, a rarer viewing configuration of a quasi-universal structured jet., Comment: Submitted to AAS journal

A novel method, named Curvature-Augmented Manifold Embedding and Learning (CAMEL), is proposed for high dimensional data classification, dimension reduction, and visualization. CAMEL utilizes a topology metric defined on the Riemannian manifold, and a unique Riemannian metric for both distance and curvature to enhance its expressibility. The method also employs a smooth partition of unity operator on the Riemannian manifold to convert localized orthogonal projection to global embedding, which captures both the overall topological structure and local similarity simultaneously. The local orthogonal vectors provide a physical interpretation of the significant characteristics of clusters. Therefore, CAMEL not only provides a low-dimensional embedding but also interprets the physics behind this embedding. CAMEL has been evaluated on various benchmark datasets and has shown to outperform state-of-the-art methods, especially for high-dimensional datasets. The method's distinct benefits are its high expressibility, interpretability, and scalability. The paper provides a detailed discussion on Riemannian distance and curvature metrics, physical interpretability, hyperparameter effect, manifold stability, and computational efficiency for a holistic understanding of CAMEL. Finally, the paper presents the limitations and future work of CAMEL along with key conclusions., Comment: The original results reported in the original manuscript cannot be reproduced by a valid code from the first author. The first author stated that the original code was lost during a computer crash and cannot be retrieved. The corresponding author decided to withdraw the manuscript for further evaluation before resubmission

Polarizability is closely related to many fundamental characteristics of molecular systems and plays an indispensable role in simulating the Raman spectra. However, the calculations of polarizability for large systems still suffers from the limitations of processing ability of the quantum mechanical (QM) methods. This work assessed and compared the accuracy of the bond polarizability model (BPM) and a ML-based atomic polarizability model (AlphaML) in predicting polarizability of alkanes and then also investigated the ability of simulating Raman spectra. We found that the AlphaML has appreciable advantages over the BPM in learning the polarizability in the training data set and predicting polarizability of molecules that configurational differently from training structures. In addition, the BPM has inherent disadvantages in predicting polarizability anisotropy due to many factors including large uncertainties of estimating bond anisotropy, omitting of off-diagonal parameters in the construction of the model. As a result, the BPM has larger errors than the AlphaML in the simulation of anisotropic Raman scattering. Finally, we demonstrated that both the BPM and AlphaML suffer from transference to alkanes larger than those used in the training data sets, but the problem for the AlphaML can be circumvented by exploring more proper training structures., Comment: 37 pages, 10 figures

Entity typing aims at predicting one or more words that describe the type(s) of a specific mention in a sentence. Due to shortcuts from surface patterns to annotated entity labels and biased training, existing entity typing models are subject to the problem of spurious correlations. To comprehensively investigate the faithfulness and reliability of entity typing methods, we first systematically define distinct kinds of model biases that are reflected mainly from spurious correlations. Particularly, we identify six types of existing model biases, including mention-context bias, lexical overlapping bias, named entity bias, pronoun bias, dependency bias, and overgeneralization bias. To mitigate model biases, we then introduce a counterfactual data augmentation method. By augmenting the original training set with their debiased counterparts, models are forced to fully comprehend sentences and discover the fundamental cues for entity typing, rather than relying on spurious correlations for shortcuts. Experimental results on the UFET dataset show our counterfactual data augmentation approach helps improve generalization of different entity typing models with consistently better performance on both the original and debiased test sets., Comment: EMNLP 2022

A variety of novel quantum phases have been achieved in twist bilayer graphene (tBLG) and other moire superlattices recently, including correlated insulators, superconductivity, magnetism, and topological states. These phenomena are very sensitive to the moire superlattices, which can hardly be changed rapidly or intensely. Here, we report the experimental realization of a high-order moire pattern (a high-order interference pattern) in graphene-monolayer xenon heterostructure (G/mXe), with moire period in-situ tuned from few nanometers to infinity by changing the lattice constant of Xe through different annealing temperatures and pressures. We use angle-resolved photoemission spectroscopy to directly observe that replicas of graphene Dirac cone emerge and move close to each other in momentum-space as moire pattern continuously expands in real-space. When the moire period approaches infinity, the replicas finally overlap with each other and an energy gap is observed at the Dirac point induced by intervalley coupling, which is a manifestation of Kekule distortion. We construct a continuum moire Hamiltonian, which can explain the experimental results well. The form of moire Hamiltonian in G/mXe is similar to that in tBLG, and moire band with narrow bandwidth is predicted in G/mXe. However, the moire Hamiltonian couples Dirac fermions from different valleys in G/mXe, instead of ones from different layers in tBLG. Our work demonstrates a novel platform to study the continuous evolution of moire pattern and its modulation effect on electronic structure, and provides an unprecedented approach for tailoring Dirac fermions with tunable intervalley coupling., Comment: 17 pages, 4 figures, supplementary materials available from the authors, submitted Feb. 2022

The laboratories and research institutes are the major places for cutting-edge scientific exploration. Hundreds of millions of research papers were formed from front-line labs. Behind this glorious achievement were unsustainable facts. More and more human investment is required in innovative experimental design and analysis of results. However, the laboratory operating environment has not been subversively transformed for centuries. This abstract proposed a smart tracking system, consisting of IoT and Data Visualization technologies, to track the chemicals in an automatic and timely approach. Positive feedback has been collected from pilot tests in several labs. The system benefits various lab users in their daily work and improves their working efficiency. In the long run, it will play an essential role in promoting the efficient use of lab resources and achieving the goal of sustainable labs., Comment: This abstract contains 2 pages and 5 figures. It has been submitted and accepted by IEEE SUSTECH 2022 Student Poster Competition

Resting-state functional magnetic resonance imaging (rs-fMRI), which measures the spontaneous fluctuations in the blood oxygen level-dependent (BOLD) signal, is increasingly utilized for the investigation of the brain's physiological and pathological functional activity. Rodents, as a typical animal model in neuroscience, play an important role in the studies that examine the neuronal processes that underpin the spontaneous fluctuations in the BOLD signal and the functional connectivity that results. Translating this knowledge from rodents to humans requires a basic knowledge of the similarities and differences across species in terms of both the BOLD signal fluctuations and the resulting functional connectivity. This review begins by examining similarities and differences in anatomical features, acquisition parameters, and preprocessing techniques, as factors that contribute to functional connectivity. Homologous functional networks are compared across species, and aspects of the BOLD fluctuations such as the topography of the global signal and the relationship between structural and functional connectivity are examined. Time-varying features of functional connectivity, obtained by sliding windowed approaches, quasi-periodic patterns, and coactivation patterns, are compared across species. Applications demonstrating the use of rs-fMRI as a translational tool for cross-species analysis are discussed, with an emphasis on neurological and psychiatric disorders. Finally, open questions are presented to encapsulate the future direction of the field., Comment: 58 pages, 2 tables, 4 figures; 10 pages supplementary materials attached at the back