Efficient Diffusion Training via Min-SNR Weighting Strategy

Denoising diffusion models have been a mainstream approach for image generation, however, training these models often suffers from slow convergence. In this paper, we discovered that the slow convergence is partly due to conflicting optimization directions between timesteps. To address this issue, we treat the diffusion training as a multi-task learning problem, and introduce a simple yet effective approach referred to as Min-SNR-$\gamma$. This method adapts loss weights of timesteps based on clamped signal-to-noise ratios, which effectively balances the conflicts among timesteps. Our results demonstrate a significant improvement in converging speed, 3.4$\times$ faster than previous weighting strategies. It is also more effective, achieving a new record FID score of 2.06 on the ImageNet $256\times256$ benchmark using smaller architectures than that employed in previous state-of-the-art. The code is available at https://github.com/TiankaiHang/Min-SNR-Diffusion-Training

Spatial Analysis on Resource Utilization, Environmental Consequences and Sustainability of Rice–Crayfish Rotation System in Jianghan Plain, China

The rice–crayfish rotation system (RCR), originating in the Jianghan Plain, is developing rapidly in various regions of China and has been characterized by unbalanced regional development, which has also led to widespread concerns and discussion on its environmental impacts and sustainability. This study selects representative RCR production areas in the Jianghan Plain, including Jianli, Qianjiang, Shishou, Shayang, Gong’an and Honghu, to analyze resource inputs, resource utilization efficiency, environmental impacts and sustainability by employing the emergy analysis method. Our analysis of Jianli, Honghu, Qianjiang, Gong’an, Shishou and Shayang reports total emergy inputs ranging from 6.46 × 1016 to 8.25 × 1016, with renewable rates between 78.38% and 84.34%. Shishou leads in the unit emergy value (5.58 × 10−1) and the emergy yield ratio (5.30). The sustainability evaluation finds that the environmental loading ratio is from 0.19 to 0.28 and the emergy index for sustainable development varies between 1.27 and 3.00. This analysis indicates that the southern regions have higher inputs and efficiency, with southeastern areas showing lower environmental impact and higher sustainability. We also underscore the impact of non-renewable resources on environmental outcomes and sustainability, suggesting tailored development strategies for the rice–crayfish rotation system’s optimization and sustainable growth.This article is published as Shi, H.; Han, G.; Hu, N.; Qu, S.; Zhu, L. Spatial Analysis on Resource Utilization, Environmental Consequences and Sustainability of Rice–Crayfish Rotation System in Jianghan Plain, China. Agronomy 2024, 14, 1071. https://doi.org/10.3390/agronomy14051071. © 2024 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/)

Rethink Baseline of Integrated Gradients from the Perspective of Shapley Value

Numerous approaches have attempted to interpret deep neural networks (DNNs) by attributing the prediction of DNN to its input features. One of the well-studied attribution methods is Integrated Gradients (IG). Specifically, the choice of baselines for IG is a critical consideration for generating meaningful and unbiased explanations for model predictions in different scenarios. However, current practice of exploiting a single baseline fails to fulfill this ambition, thus demanding multiple baselines. Fortunately, the inherent connection between IG and Aumann-Shapley Value forms a unique perspective to rethink the design of baselines. Under certain hypothesis, we theoretically analyse that a set of baseline aligns with the coalitions in Shapley Value. Thus, we propose a novel baseline construction method called Shapley Integrated Gradients (SIG) that searches for a set of baselines by proportional sampling to partly simulate the computation path of Shapley Value. Simulations on GridWorld show that SIG approximates the proportion of Shapley Values. Furthermore, experiments conducted on various image tasks demonstrate that compared to IG using other baseline methods, SIG exhibits an improved estimation of feature's contribution, offers more consistent explanations across diverse applications, and is generic to distinct data types or instances with insignificant computational overhead.Comment: 12 page

Study on evolution characteristics of coal fracture structure and fluid migration law under the action of water-loaded particles

The amorphous particles such as coal rock contained in the coal seam enter the fracture channel with the pressure water during the water injection process, which directly affects the structural characteristics of the fracture channel, and then changes the seepage behavior of the pressure water in the fracture structure. In order to clarify the migration behavior of water-loaded particles in the process of coal seam water injection, clarify the evolution characteristics of fracture structure and the law of fluid migration, the traditional cubic law is used to describe the linear seepage process inside the filling fracture. Combined with the capillary model, a fracture seepage damage model considering filling particles is constructed, and the hydraulic transmission characteristics in the fracture channel filled with particles are revealed by mathematical analysis. Subsequently, the coal seam fracture images were collected by a high-definition camera, and the image processing was used to ensure that the fracture geometry was consistent with the actual coal seam fracture distribution. COMSOL was introduced to construct a two-dimensional numerical solution model. The migration process of water-loaded particles in single fracture and fracture network environment was numerically simulated, and the migration trajectory and deposition position of particles at different flow rates were analyzed to reveal the interaction between particles and fluids. The results show that the flow velocity in the fracture depends not only on the porosity, but also on the particle diameter and hydrodynamic viscosity. In a single fracture, the higher flow velocity prolongs the migration distance of particles, but the particle distribution is more dispersed. The lower flow velocity enhances the vortex effect and promotes the aggregation and deposition of particles. In the fracture network, the migration behavior of particles is more complex, and the migration of particles is affected by the main fracture and the secondary fracture

Synthesis of conjugated polymers via direct C–H/C–Cl coupling reactions using a Pd/Cu binary catalytic system

Direct arylation polycondensation is regarded as an efficient synthetic method for conjugated polymers. This methodology is difficult to apply to dichloroaryl monomers because of the low reactivity of the C–Cl bonds compared to that of the C–Br bonds in dibromoaryl monomers, which have been widely used in direct arylation polycondensation. In this research, direct arylation polycondensation of dichloroaryl monomers was achieved by the use of a Pd/Cu binary catalytic system. Optimisation of the molar ratio of the Pd and Cu catalyst resulted in the formation of high-molecular-weight polymers in good yields. Structural defects of the polymer at the terminal unit were minimised by logical choice of the monomer ratio on the basis of the reaction mechanism. The obtained polymer with relatively low structural defects showed a higher quantum efficiency of photoluminescence and electroluminescence than that of the polymer with irregular terminal structures

Synthesis of new 2′-deoxy-2′-fluoro-4′-azido nucleoside analogues as potent anti-HIV agents

We prepared 1-(4′-azido-2′-deoxy-2′-fluoro-β -D-arabinofuranosyl)cytosine (10) and its hydrochloride salt (11) as potential antiviral agents based on the favorable antiviral profiles of 4′-substituted nucleosides. Compounds 10 and 11 were synthesized from 1,3,5-O-tribenzoyl-2-deoxy-2-fluoro-D-arabinofuranoside in multiple steps, and their structures were unequivocally established by IR, 1H NMR, 13C NMR, and 19F NMR spectroscopy, HRMS, and X-ray crystallography. Compounds 10 and 11 exhibited potent anti-HIV-1 activity (EC50: 0.3 and 0.13 nM, respectively) without significant cytotoxicity in concentrations up to 100 μM. Compound 11 exhibited extremely potent anti-HIV activity against NL4-3 (wild-type), NL4-3 (K101E), and RTMDR viral strains, with EC50 values of 0.086, 0.15, and 0.11 nM, respectively. Due to the high potency of 11, it was also screened against an NIH Reagent Program NRTI-resistant virus panel containing eleven mutated viral strains and for cytotoxicity against six different human cell lines. The results of this screening indicated that 11 is a novel NRTI that could be developed as an anti-AIDS clinical trial candidate to overcome drug-resistance issues

Search for dark matter produced in association with bottom or top quarks in √s = 13 TeV pp collisions with the ATLAS detector

A search for weakly interacting massive particle dark matter produced in association with bottom or top quarks is presented. Final states containing third-generation quarks and miss- ing transverse momentum are considered. The analysis uses 36.1 fb−1 of proton–proton collision data recorded by the ATLAS experiment at √s = 13 TeV in 2015 and 2016. No significant excess of events above the estimated backgrounds is observed. The results are in- terpreted in the framework of simplified models of spin-0 dark-matter mediators. For colour- neutral spin-0 mediators produced in association with top quarks and decaying into a pair of dark-matter particles, mediator masses below 50 GeV are excluded assuming a dark-matter candidate mass of 1 GeV and unitary couplings. For scalar and pseudoscalar mediators produced in association with bottom quarks, the search sets limits on the production cross- section of 300 times the predicted rate for mediators with masses between 10 and 50 GeV and assuming a dark-matter mass of 1 GeV and unitary coupling. Constraints on colour- charged scalar simplified models are also presented. Assuming a dark-matter particle mass of 35 GeV, mediator particles with mass below 1.1 TeV are excluded for couplings yielding a dark-matter relic density consistent with measurements