• As discussed in main text Sec. IV.A, the naïve-ignore function gets stuck repeatedly recommending the same continuous parameters in the absence of a self-avoidance routine. However, for fully discrete/categorical problems, duplicate avoidance is baked into Atlas, and this behavior is no longer possible. In fact, the naïve-ignore function is among the most efficient strategies for the discrete CatSlopeConstr and CatDejongConstr surfaces. • For the CatCamelConstr problem, c(x) is constructed by randomly constraining a set of discrete options. Therefore, we expect its structure not to be learnable by the classifier. Indeed, the % infeas metric for this problem is statistically equivalent across all strategies in Tab. S4. Desai et al. report a flow technology platform applied to discovering novel Abl kinase inhibitors, in which the flow system enables synthesis, purification and analysis via an on-line bioassay. The authors conduct a search for kinase inhibitors by combining 10 templates with 27 hinge binding aromatic alkynes to span a space of 270 molecules joined via a Sonogashira coupling reaction.