Materials
Robotically assembled building blocks could make construction more efficient and sustainable
Robotically assembled building blocks could be a more environmentally friendly method for erecting large-scale structures than some existing construction techniques, according to a new study by MIT researchers. The team conducted a feasibility study to evaluate the efficiency of constructing a simple building using "voxels," which are modular 3D subunits that assemble into complex, durable structures. After studying the performance of multiple voxels, the researchers developed three new designs intended to streamline building construction. They also produced a robotic assembler and a user-friendly interface for generating voxel-based building layouts and feeding instructions to the robots. Their results indicate this voxel-based robotic assembly system could reduce embodied carbon -- all of the carbon emitted during the lifecycle of building materials -- by as much as 82 percent, compared with popular techniques like 3D concrete printing, precast modular concrete, and steel framing.
Nine coal miners die in gas explosion in Colombia
Nine people have died in an explosion at a coal mine in Colombia in the latest fatal accident to hit the country's mining sector. Emergency workers said they had rescued six miners from the shafts in Sutatausa, north of the capital, Bogotá. Colombia's national mining agency said a build-up of gases was thought to have caused the explosion at 16:00 (21:00 GMT) on Monday. It also published a list of recommendations it said it had made to the mine's operators after an inspection less than a month ago, in which it had warned of a potentially dangerous gas build-up. Many mines in Colombia are operated informally and without proper safety standards.
An Efficient Spatial Branch-and-Bound Algorithm for Global Optimization of Gaussian Process Posterior Mean Functions
Tang, Wei-Ting, Kudva, Akshay, Tsay, Calvin, Paulson, Joel A.
We study the deterministic global optimization of trained Gaussian process posterior mean functions over hyperrectangular domains. Although the posterior mean function has a compact closed-form representation, its global optimization is challenging because it remains nonlinear and nonconvex. Existing exact deterministic approaches become increasingly difficult to scale as the number of training data points grows, leading to approximation-based methods that improve tractability by optimizing a modified (inexact) objective. In this work, we propose PALM-Mean, a piecewise-analytic lower-bounding framework embedded in reduced-space spatial branch-and-bound. At each node, kernel terms that are locally important are replaced by a sign-aware piecewise-linear relaxation in an appropriate scalar distance variable, while the remaining terms are bounded analytically in closed form. We show this hybrid approach yields a valid lower bound for the posterior mean, while limiting the size of the branch-and-bound subproblems. We establish validity of the node lower bounds and $\varepsilon$-global convergence of the resulting algorithm. Computational results on synthetic benchmarks and real-world application problems show that PALM-Mean improves scalability relative to representative general-purpose deterministic global solvers, particularly as the number of training data points increases.
Callaway's new golf driver face combines titanium, carbon fiber, and a military-grade polymer found in an unlikely way
Gear Fitness Gear Callaway's new golf driver face combines titanium, carbon fiber, and a military-grade polymer found in an unlikely way Callaway's new Quantum drivers use the Tri-Force Face, a three-layer design bonding titanium and carbon fiber with a polymer the R&D team found in military research. More information Adding us as a Preferred Source in Google by using this link indicates that you would like to see more of our content in Google News results. The three-layered construction allows both carbon and titanium to shine. We may earn revenue from the products available on this page and participate in affiliate programs. Golf driver faces have been almost exclusively titanium for more than three decades, with some detours into carbon fiber .
Do not open until July 4, 2276: U.S. buries a 'zombie-proof' time capsule
Do not open until July 4, 2276: U.S. buries a'zombie-proof' time capsule The durable stainless steel container will be buried in Philadelphia for the country's 250th birthday. More information Adding us as a Preferred Source in Google by using this link indicates that you would like to see more of our content in Google News results. The time capsule will include items from all 50 states and six territories. Breakthroughs, discoveries, and DIY tips sent six days a week. It's been 250 years since the United States decided it was no longer interested in being part of Great Britain.
Learning List-Level Domain-Invariant Representations for Ranking
Domain adaptation aims to transfer the knowledge learned on (data-rich) source domains to (low-resource) target domains, and a popular method is invariant representation learning, which matches and aligns the data distributions on the feature space. Although this method is studied extensively and applied on classification and regression problems, its adoption on ranking problems is sporadic, and the few existing implementations lack theoretical justifications. This paper revisits invariant representation learning for ranking. Upon reviewing prior work, we found that they implement what we call item-level alignment, which aligns the distributions of the items being ranked from all lists in aggregate but ignores their list structure. However, the list structure should be leveraged, because it is intrinsic to ranking problems where the data and the metrics are defined and computed on lists, not the items by themselves. To close this discrepancy, we propose list-level alignment--learning domain-invariant representations at the higher level of lists. The benefits are twofold: it leads to the first domain adaptation generalization bound for ranking, in turn providing theoretical support for the proposed method, and it achieves better empirical transfer performance for unsupervised domain adaptation on ranking tasks, including passage reranking.
TensorNet: Cartesian Tensor Representations for Efficient Learning of Molecular Potentials
The development of efficient machine learning models for molecular systems representation is becoming crucial in scientific research. We introduce TensorNet, an innovative O(3)-equivariant message-passing neural network architecture that leverages Cartesian tensor representations. By using Cartesian tensor atomic embeddings, feature mixing is simplified through matrix product operations. Furthermore, the cost-effective decomposition of these tensors into rotation group irreducible representations allows for the separate processing of scalars, vectors, and tensors when necessary. Compared to higher-rank spherical tensor models, TensorNet demonstrates state-of-the-art performance with significantly fewer parameters. For small molecule potential energies, this can be achieved even with a single interaction layer. As a result of all these properties, the model's computational cost is substantially decreased. Moreover, the accurate prediction of vector and tensor molecular quantities on top of potential energies and forces is possible. In summary, TensorNet's framework opens up a new space for the design of state-of-the-art equivariant models.
Enhancing molecular dynamics with equivariant machine-learned densities
Bogojeski, Mihail, Hasyim, Muhammad R., Vogt-Maranto, Leslie, Müller, Klaus-Robert, Burke, Kieron, Tuckerman, Mark E.
Machine-learning interatomic potentials (MLIPs) have enabled molecular dynamics at near ab initio accuracy, yet remain limited to energies and forces by construction, leaving electronic observables such as dipole moments and polarizabilities inaccessible. We introduce DenSNet, a density-first approach to machine-learned electronic structure that learns the Hohenberg--Kohn map from nuclear configurations to the ground-state electron density. Our approach employs an SE(3)-equivariant neural network to predict density coefficients of a flexible atom-centered Gaussian basis, combined with a $Δ$-learning strategy that uses superposed atomic densities as a prior to accelerate training. A second equivariant network then maps the predicted density to the total energy, providing a unified framework for molecular dynamics and electronic structure. We validate DenSNet on ethanol, ethanethiol, and resorcinol, where infrared spectra from machine-learned trajectories show excellent agreement with experimental gas-phase measurements. To test scalability, we train on polythiophene oligomers with 1--6 monomers and extrapolate to chains of up to 12 monomers, generating stable long-time trajectories whose infrared spectra agree with reference density functional theory calculations. Here, we show that reinstating the electron density as the central learned quantity opens a practical route to transferable prediction of spectroscopic and electronic observables in large-scale molecular simulations.
GemNet: Universal Directional Graph Neural Networks for Molecules
Effectively predicting molecular interactions has the potential to accelerate molecular dynamics by multiple orders of magnitude and thus revolutionize chemical simulations. Graph neural networks (GNNs) have recently shown great successes for this task, overtaking classical methods based on fixed molecular kernels. However, they still appear very limited from a theoretical perspective, since regular GNNs cannot distinguish certain types of graphs. In this work we close this gap between theory and practice. We show that GNNs with directed edge embeddings and two-hop message passing are indeed universal approximators for predictions that are invariant to translation, and equivariant to permutation and rotation. We then leverage these insights and multiple structural improvements to propose the geometric message passing neural network (GemNet). We demonstrate the benefits of the proposed changes in multiple ablation studies. GemNet outperforms previous models on the COLL, MD17, and OC20 datasets by 34 %, 41 %, and 20 %, respectively, and performs especially well on the most challenging molecules. Our implementation is available online. 1