chemical manufacturing engineers

Abstract: General purpose multimodal language models (LMs) are increasingly capable of directly controlling robotic arms (e.g., by commanding end effector poses) to manipulate their environment. Tracking the development of these capabilities is important for understanding their potential benefits, such as improving industrial automation, and risks, such as enabling malicious users to produce dangerous chemical or biological agents. To this end, we investigate the ability of frontier multimodal LMs to directly control physical robotic arms. We evaluate seven models at multiple reasoning-effort settings on six manipulation tasks taken from the RoboDojo benchmark. To our knowledge, this is the first systematic comparison of a broad range of frontier LMs across a common suite of manipulation tasks on physical hardware. We find that current frontier models can directly control real robotic arms to perform a variety of manipulation tasks but are not yet precise or efficient enough to complete them within a practical action budget. However, these capabilities are improving rapidly: performance increases on our benchmark between July and September 2026 (inclusive) correspond to a performance doubling time of 44.5 days, while the best recorded execution rate increased by a factor of 4.4 and the lowest recorded execution cost fell by a factor of 6.2. These trends raise the possibility that the Bitter Lesson is coming to robotics; the capabilities of embodied general purpose LMs may one day be comparable to those of more specialized models.

Abstract: Molecular generation designs novel molecules with desired structures and properties. Global count constraints specify molecular size, elemental composition, and ring content without prescribing detailed structure. Property-conditioned generators steer generation toward such targets but do not guarantee exact satisfaction. We introduce TopoCompile, which combines an autoregressive component-tree generator with a dynamic-programming compiler for supported component-additive integer counts. TopoCompile represents molecules as trees of intact ring systems and individual atoms, making each supported count additive over components. At each step, an autoregressive Transformer scores component and attachment actions, while the compiler masks actions with no target-satisfying completion. Within the fixed component vocabulary and typed attachment rules, constrained decoding guarantees exact equality for supported non-negative, component-additive integer counts. Applied at inference time, these checks let the same trained generator support different targets and count combinations without retraining. Across four benchmarks, TopoCompile achieves 100% Exact-valid yield for Common and Rare four-count target groups; the strongest baseline within each dataset reaches 44.9% or less on Rare targets. In unconditional generation, it achieves the highest validity or valid-unique-novel (V.U.N.) among the compared methods across all four benchmark datasets.

Abstract: Determining crystal structures from powder X-ray diffraction (PXRD) would enable routine characterization of newly synthesized materials, including those absent from reference databases. Generative models offer a promising approach, but existing evaluations remain fragmented and largely assume single-phase samples with known composition. To fill this gap, we introduce PXRD-Bench, a unified benchmark that extends evaluation to unknown per-element atom counts and recovery of both structures in two-phase mixtures. It provides approximately 4.1 million training structures with simulated PXRD, tests generalization to unseen compositions and structural prototypes, and evaluates recovery from experimental PXRD after excluding structurally matching training entries. To provide a strong reference baseline, we also introduce Bragglite, a PXRD-to-structure model developed through a systematic study of PXRD modeling choices. It achieves a 44.2\% Top-1 match rate on experimental RRUFF patterns with known composition, 24.6\% above the strongest prior baseline. Further analysis yields several key findings: some models fail to benefit from experimental PXRD, while generalization to unseen structural prototypes and recovery from two-phase mixtures remain challenging. Together, our benchmark, systematic studies, and Bragglite clarify the capabilities and limitations of current PXRD-to-structure models.

Abstract: Machine learning can accelerate molecular discovery by designing molecules and planning experiments. However, many scientific challenges demand molecules with very rare properties, and in this sparse setting, existing algorithms offer little gain over random guessing. We propose a method to efficiently search large regions of molecular space using algorithmically controlled stochastic synthesis. Rather than design, make and test individual molecules, we design and make complex mixtures, test them as a pool, then deconvolute the molecule-activity map. We optimize synthesis to encode maximal information. Theoretically, this approach can reduce the number of experiments required to find the optimal molecule among $d$ candidates from $\mathcal{O}(d)$ to $\mathcal{O}(\log d)$ or $\mathcal{O}(1)$. In simulation, on estimated protein fitness landscapes, it finds active molecules with an order of magnitude fewer experiments than existing Bayesian optimization methods.