Benchmarks increasingly guide deployment, procurement and scientific screening, yet a score supports only the response it records, not necessarily the deployment action. We introduce deployment-complete benchmarking, which tests whether benchmark evidence determines a deployment action. A benchmark is complete for a claim exactly when the action is constant on each evidence fiber; mixed fibers expose missing deployment information, and completion curves quantify the evidence required to resolve ambiguity. In controlled response spaces, benchmark-channel conformal coverage of 94.98% transferred poorly to an unmeasured deployment channel (10.07%), whereas response-rank intervals achieved 94.91% coverage; even zero benchmark error certified only 45.4% of candidates at the largest residual size. Public audits revealed incompleteness, including 97.9% mixed Tox21 fibers and zero median certifiable fraction in main Matbench and JARVIS audits. In held-out replays, certify-then-acquire reduced false decisions from 1.19% to 0.027% in Tox21 and from 20.3% to 0.128% in JARVIS, while changing model choice and identifying deployment-relevant probes. Deployment-ready benchmarks should report evidence, supported actions, ambiguity and completion cost rather than scores alone.

Science Biology Your next sunscreen could be made from E. coli A chemical compound inside the bacterium may offer an eco-friendly way to block harmful UV rays. 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. Scientists are turning to nature for eco-friendly sunscreens. Breakthroughs, discoveries, and DIY tips sent six days a week. Let's face it, sunscreen is important to our health, but can really be a drag.

We propose PathBoost, a gradient tree boosting method for graph-level classification and regression that learns discriminative path-based features directly from the input graph structure. Building on a previous work, which was tailored to a specific chemistry application, PathBoost introduces three key extensions: (i) adaptation to binary classification through gradient boosting with a logistic loss, (ii) incorporation of multiple node and edge attributes into the path feature space via a prefix-based decomposition, and (iii) automatic anchor node selection based on categorical attribute diversity, eliminating the need for the user to specify the starting point of the considered path features. We compared PathBoost to graph neural networks and graph kernel approaches on several benchmark datasets, obtaining better results in half of them, and comparable results in the rest. PathBoost shows better performances on graphs with larger average node counts. Overall, the results demonstrate that path-based boosting methods can be competitive with more complex black-box approaches.

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. There are 26 different bitter receptors in the human body. Breakthroughs, discoveries, and DIY tips sent six days a week. Regular coffee drinkers know there is a big difference between a brew's aroma and its taste. A cup may smell warm and full-bodied only to leave you with a lingering bitterness behind the first sip.

The bioluminescent plants are a potential alternative to electrical light and batteries. 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. Acidic (top) and basic (bottom) environments trigger different bioluminescent behaviors in algae. Breakthroughs, discoveries, and DIY tips sent six days a week. Bioluminescence is everywhere in nature, but it puts on its biggest light shows underwater .

The compositionality of the model improves the capacity of generalization tovarious andevenout-of-distribution tasks.

A.1 Additional experimental results We further introduce our additional experiments in this section. In our main article, we compared our model FREED with baseline models REINVENT and MORLD. For fairer comparison of quality scores, we also performed multi-objective optimization of REINVENT and MORLD on both quality score (pharmacochemical filter score) and docking score as follows. Table 1 in the main text shows that such an implicit method is not enough to achieve nearly perfect filter scores as our model did. Also, as shown in Table 1 REINVENT showed deteriorated performance when jointly trained with filter scores, in terms of hit ratio and top 5% scores, implying that multiobjective optimization is more difficult than explicitly constrained optimization. Such a result was consistent for all three targets. The two baseline models REINVENT and MORLD that are jointly trained to maximize filter scores are noted as REINVENT w/ filter and MORLD w/ filter.

Plus: Spy firms tap into a global telecom weakness to track targets, 500,000 UK health records go up for sale on Alibaba, Apple patches a revealing notification bug, and more. As researchers and practitioners debate the impact that new AI models will have on cybersecurity, Mozilla said on Tuesday it used early access to Anthropic's Mythos Preview to find and fix 271 vulnerabilities in its new Firefox 150 browser release. Meanwhile, researchers identified a group of moderately successful North Korean hackers using AI for everything from vibe coding malware to creating fake company websites--stealing up to $12 million in three months. Researchers have finally cracked disruptive malware known as Fast16 that predates Stuxnet and may have been used to target Iran's nuclear program. It was created in 2005 and was likely deployed by the US or an ally.

Navigating the vast chemical space of druggable compounds is a formidable challenge in drug discovery, where generative models are increasingly employed to identify viable candidates. Conditional 3D structure-based drug design (3D-SBDD) models, which take into account complex three-dimensional interactions and molecular geometries, are particularly promising. Scaffold hopping is an efficient strategy that facilitates the identification of similar active compounds by strategically modifying the core structure of molecules, effectively narrowing the wide chemical space and enhancing the discovery of drug-like products. However, the practical application of 3D-SBDD generative models is hampered by their slow processing speeds. To address this bottleneck, we introduce TurboHopp, an accelerated pocket-conditioned 3D scaffold hopping model that merges the strategic effectiveness of traditional scaffold hopping with rapid generation capabilities of consistency models. This synergy not only enhances efficiency but also significantly boosts generation speeds, achieving up to 30 times faster inference speed as well as superior generation quality compared to existing diffusion-based models, establishing TurboHopp as a powerful tool in drug discovery.