PrefixMol: Target- and Chemistry-aware Molecule Design via Prefix Embedding

Is there a unified model for generating molecules considering different conditions, such as binding pockets and chemical properties? Although target-aware generative models have made significant advances in drug design, they do not consider chemistry conditions and cannot guarantee the desired chemical properties. Unfortunately, merging the target-aware and chemical-aware models into a unified model to meet customized requirements may lead to the problem of negative transfer. Inspired by the success of multi-task learning in the NLP area, we use prefix embeddings to provide a novel generative model that considers both the targeted pocket's circumstances and a variety of chemical properties. All conditional information is represented as learnable features, which the generative model subsequently employs as a contextual prompt. Experiments show that our model exhibits good controllability in both single and multi-conditional molecular generation. The controllability enables us to outperform previous structure-based drug design methods. More interestingly, we open up the attention mechanism and reveal coupling relationships between conditions, providing guidance for multi-conditional molecule generation

2nd Place Winning Solution for the CVPR2023 Visual Anomaly and Novelty Detection Challenge: Multimodal Prompting for Data-centric Anomaly Detection

This technical report introduces the winning solution of the team Segment Any Anomaly for the CVPR2023 Visual Anomaly and Novelty Detection (VAND) challenge. Going beyond uni-modal prompt, e.g., language prompt, we present a novel framework, i.e., Segment Any Anomaly + (SAA$+$), for zero-shot anomaly segmentation with multi-modal prompts for the regularization of cascaded modern foundation models. Inspired by the great zero-shot generalization ability of foundation models like Segment Anything, we first explore their assembly (SAA) to leverage diverse multi-modal prior knowledge for anomaly localization. Subsequently, we further introduce multimodal prompts (SAA$+$) derived from domain expert knowledge and target image context to enable the non-parameter adaptation of foundation models to anomaly segmentation. The proposed SAA$+$ model achieves state-of-the-art performance on several anomaly segmentation benchmarks, including VisA and MVTec-AD, in the zero-shot setting. We will release the code of our winning solution for the CVPR2023 VAN.Comment: The first two author contribute equally. CVPR workshop challenge report. arXiv admin note: substantial text overlap with arXiv:2305.1072

Effect of Tryptophan Hydroxylase-2 rs7305115 SNP on suicide attempts risk in major depression

<p>Abstract</p> <p>Background</p> <p>Suicide and major depressive disorders (MDD) are strongly associated, and genetic factors are responsible for at least part of the variability in suicide risk. We investigated whether variation at the tryptophan hydroxylase-2 (TPH2) gene rs7305115 SNP may predispose to suicide attempts in MDD.</p> <p>Methods</p> <p>We genotyped TPH2 gene rs7305115 SNP in 215 MDD patients with suicide and matched MDD patients without suicide. Differences in behavioral and personality traits according to genotypic variation were investigated by logistic regression analysis.</p> <p>Results</p> <p>There were no significant differences between MDD patients with suicide and controls in genotypic (AG and GG) frequencies for rs7305115 SNP, but the distribution of AA genotype differed significantly (14.4% vs. 29.3%, <it>p </it>< 0.001). The G-allele frequency was significantly higher in cases than control group (58.1% vs.45.6%, <it>p </it>< 0.001), but the A-allele carrier indicated a decreased trend in MDD with suicide behaviors than control group (41.9% vs.54.4%, <it>p </it>< 0.001). The multivariate logistic regression analysis indicated that TPH2 rs7305115 AA (OR 0.33, 95% CI 0.22-0.99), family history of suicide (OR 2.98, 95% CI 1.17-5.04), negative life events half year ago (OR 6.64, 95% CI 2.48-11.04) and hopelessness (OR 7.68, 95% CI 5.79-13.74) were significantly associated with the suicide behaviors in MDD patients.</p> <p>Conclusions</p> <p>The study suggested that hopelessness, negative life events and family history of suicide were risk factors of attempted suicide in MDD while the TPH2 rs7305115A remained a significant protective predictor of suicide attempts.</p

Analysis of internal flow characteristics and entropy generation of low head bulb tubular pump

To study the internal flow characteristics and energy characteristics of a large bulb perfusion pump. Based on the CFX software of the ANSYS platform, the steady calculation of the three-dimensional model of the pump device is carried out. The numerical simulation results obtained by SST k-ω and RNG k-ε turbulence models are compared with the experimental results. Finally, SST k-ω is selected for subsequent calculation. With the help of the flow line diagram and turbulent kinetic energy table of the whole flow channel of the pump device, the flow components of the pump device under different working conditions are analyzed, and the pressure and velocity distribution at the impeller and guide vane are analyzed by pressure cloud diagram and velocity cloud diagram. It is found that there are three high-pressure areas in the impeller and guide vane section, and the high-pressure regions are mainly distributed in the middle of the impeller channel. As the head decreases, the pressure at the impeller and guide vane positions decreases gradually, and the flow rate increases. Based on the entropy production principle, the wall entropy production and the distribution of mainstream entropy production at the impeller and guide vane parts are analyzed

Impulse Measurement Methods for Space Micro-Propulsion Systems

Space micro-propulsion systems are increasingly considered an attractive option for station-keeping and drag-makeup purposes for the mass- and power-limited satellites due to their critical factors of simple design, small volume, and high specific impulse. These systems typically generate low-range thrust from nN to mN, and their impulses are less than mNs, making it difficult for conventional sensors to detect them directly. Consequently, the design of a special thrust stand is often necessary to measure these micro-propulsion systems. This chapter outlines recommended practices for the operation and calibration of three conventional measurement methods, along with the introduction of an impulse measurement stand developed at the National University of Defense Technology. The chapter presents the fundamentals, calibration method, and experimental results of the stand operation, while also analyzing error sources. Finally, the chapter discusses the demand and direction of micro-impulse measurement development

The Relationship Between Belief In A Just World And Spiritual Faith in the context of cross-cultural

So far, the researches about belief in a just world (BJW) have obtained many achievements in the fields of the behavior of punishing the victim, and the fimctions of building psychological well-being. There are researches indicated that there are links between religion and BJW, especially with Ultimate Justice(Begue, 2002). But to the people who don 1 have a religion, which support his or her sense of BJW? So we use the participants from China, which don't have religion, and the participants from Indonesia, which are all religion believer to find the answer. The result shows that, both participants from the two countries have the same level of general BJW and social belief, while the Immanent and Ultimate BJW, supernatural and pragmatic belief." the Indonesian participants score higher than Chinese participants. To the relationship between BJW and spiritual faith, Chinese participants' BUJ and general BJW are connected with social belief, while the Indonesian part shows the general BJW and Ultimate BJW are corresponded with all belief, and the Immanent BJW is related with Pragmatic Belief and Social Belief The scales we apply are the Just Word scale(Rubin& Peplau,I973) and Belief in Immanent/Ultimate Justice Scale(Maes, 1999), both have good validity and reliability; and the scale of spiritual belief (Song Xingchuan, 2004) to find out the difference between Indonesian and Chinese students, and we also use the classical "trolley problem", which is added the variable of obey or violate the norm, to estimate the extend of one concern about the social norm

Treatment Outcome Prediction for Intracerebral Hemorrhage via Generative Prognostic Model with Imaging and Tabular Data

Intracerebral hemorrhage (ICH) is the second most common and deadliest form of stroke. Despite medical advances, predicting treat ment outcomes for ICH remains a challenge. This paper proposes a novel prognostic model that utilizes both imaging and tabular data to predict treatment outcome for ICH. Our model is trained on observational data collected from non-randomized controlled trials, providing reliable predictions of treatment success. Specifically, we propose to employ a variational autoencoder model to generate a low-dimensional prognostic score, which can effectively address the selection bias resulting from the non-randomized controlled trials. Importantly, we develop a variational distributions combination module that combines the information from imaging data, non-imaging clinical data, and treatment assignment to accurately generate the prognostic score. We conducted extensive experiments on a real-world clinical dataset of intracerebral hemorrhage. Our proposed method demonstrates a substantial improvement in treatment outcome prediction compared to existing state-of-the-art approaches. Code is available at https://github.com/med-air/TOP-GP

Study on failure characteristics and control technology of roadway surrounding rock under repeated mining in close-distance coal seam

In this study, taking the Sheng’an coal mine as an engineering background, the failure characteristics of the surrounding rock of a roadway under repeated mining in a close-distance coal seam is comprehensively illustrated through field measurements (e.g., drilling imaging), theory analysis and numerical simulation (finite difference method (FDM)). The results show that although the return airway 10905 remains intact, the apparent failure of the roadway’s roof and the coal pillar can be observed. In addition, the expression of floor failure depth caused by upper coal seam mining is obtained through elastic-plastic theory. Meanwhile, the deformation of the surrounding rock of the roadway increases with the increase of repeated mining times, especially for the horizontal displacement of the roadway on the coal pillar side. Moreover, the cracks’ evolution of surrounding rock in the roadway can be observed as asymmetric characteristics. Finally, the stability control technology of “asymmetric anchor net cable + I-steel” is proposed to prevent potential mining disasters, and the feasibility of this support scheme is verified by numerical simulation and field practices. It can meet the requirement of safe mining and provide guidelines to effectively solve the failure of a roadway in close-distance coal seam mining

A Conscious Resting State fMRI Study in SLE Patients Without Major Neuropsychiatric Manifestations

Neuropsychiatric systemic lupus erythematosus (NPSLE) is one of the main causes of death in patients with systemic lupus erythematosus (SLE). Signs and symptoms of NPSLE are heterogeneous, and it is hard to diagnose, and treat NPSLE patients in the early stage. We conducted this study to explore the possible brain activity changes using resting state functional magnetic resonance imaging (rs-fMRI) in SLE patients without major neuropsychiatric manifestations (non-NPSLE patients). We also tried to investigate the possible associations among brain activity, disease activity, depression, and anxiety. In our study, 118 non-NPSLE patients and 81 healthy controls (HC) were recruited. Rs-fMRI data were used to calculate the regional homogeneity (ReHo) in all participants. We found decreased ReHo values in the fusiform gyrus and thalamus and increased ReHo values in the parahippocampal gyrus and uncus. The disease activity was positively correlated with ReHo values of the cerebellum and negatively correlated with values in the frontal gyrus. Several brain areas showed correlations with depressive and anxiety statuses. These results suggested that abnormal brain activities might occur before NPSLE and might be the foundation of anxiety and depression symptoms. Early detection and proper treatment of brain dysfunction might prevent the progression to NPSLE. More studies are needed to understand the complicated underlying mechanisms

Correlation analysis of monocyte chemoattractant protein-1 and clinical characteristics and cognitive impairment in type 2 diabetes mellitus comorbid major depressive disorder

IntroductionType 2 diabetes mellitus (T2DM) and major depressive disorder (MDD) are both chronic diseases, and they are often co-morbid. Usually, T2DM and MDD are associated with cognitive impairment, and the comorbidity status of both may increase the risk of cognitive impairment, but the underlying pathogenesis is not clear. Studies have shown that inflammation, especially monocyte chemoattractant protein-1 (MCP-1), could be associated with the pathogenesis of type 2 diabetes mellitus comorbid major depressive disorder.AimsTo investigate the correlations of MCP-1 with clinical characteristics and cognitive impairment in type 2 diabetes mellitus patients combined with major depressive disorder.MethodsA total of 84 participants were recruited in this study, including 24 healthy controls (HC), 21 T2DM patients, 23 MDD patients, and 16 T2DM combined with MDD (TD) patients, to measure the serum MCP-1 levels using Enzyme-linked Immunosorbent Assay (ELISA). And the cognitive function, depression, and anxiety degree were assessed using Repeatable Battery for the Assessment of Neuropsychological Status (RBANS), 17-item Hamilton Depression Scale (HAMD-17), and Hamilton Anxiety Scale (HAMA), respectively.Results(1) Serum MCP-1 expression levels in the TD group were higher than HC, T2DM, and MDD groups, respectively (p &lt; 0.05). And compared with HC and MDD groups, serum MCP-1 levels in the T2DM group were higher (p &lt; 0.05) statistically. Receiver Operating Characteristic (ROC) curve showed that MCP-1 could diagnose T2DM at cut-off values of 503.8 pg./mL (sensitivity 80.95%, specificity 79.17%, AUC = 0.7956) and of 718.1 pg./mL for TD (sensitivity 81.25%, specificity 91.67%, AUC = 0.9271). (2) Group differences in cognitive function were significant. Compared with the HC group, total RBANS scores, attention scores, and language scores in the TD group were lower, respectively (p &lt; 0.05), and total RBANS scores, attention scores, and visuospatial/constructional scores in the MDD group were lower, respectively (p &lt; 0.05). Compared with the T2DM group, immediate memory scores in HC, MDD, and TD groups were lower, respectively, and total RBANS scores in TD were lower (p &lt; 0.05). (3) Correlation analysis showed that hip circumference was negatively correlated with MCP-1 levels in the T2DM group (R = −0.483, p = 0.027), but the correlation disappeared after adjusting age and gender (r = −0.372; p = 0.117), and there were no significant correlations between MCP-1 and other variables.ConclusionMCP-1 may be involved in the pathophysiology of type 2 diabetes mellitus patients combined with major depressive disorder. And MCP-1 may be significant for the early evaluation and diagnosis of TD in the future