Adithya Murali

Zhanna Kaufman, Yuriy Brun, Adithya Murali et al.

Code comprehension and code review are already critically important software engineering tasks, and the rising use of AI code generation tools is only increasing that importance. Generative AI has the possibility of supporting these activities, for example by augmenting code with assertions and natural-language explanations describing code behavior. However, little is known about how effective such support may be. We conduct a controlled experiment with 86 Python programmers and a follow-up think-aloud study to examine developers' ability to assess the correctness and completeness of generated assertions of varying quality, and to investigate how natural-language explanations influence these assessments. While programmers can somewhat accurately judge correct assertions (74% accuracy), they perform poorly when shown incorrect assertions (49% accuracy), despite reporting similar levels of confidence in both judgments. This difference in judgment accuracy is statistically significant (p < 0.001): the odds of a developer accurately judging a correct assertion was nearly three times higher than the odds of accurately judging an incorrect assertion (OR = 2.94). Surprisingly, natural-language explanations of assertions provided no overall benefit. Furthermore, low-quality explanations could impair specification assessment accuracy (p = 0.037, OR = 0.58) while simultaneously increasing developer confidence (p = 0.005, 3.99/5 vs. 4.25/5). Our findings suggest that, contrary to common assumptions, AI assistance may not improve the reliability of code comprehension and review. More broadly, our findings highlight the importance of helping developers evaluate machine-generated reliability artifacts, in addition to generating them.

Kaiyuan Yang, Houjing Huang, Olafs Vandans et al.

A central problem in computational biophysics is protein structure prediction, i.e., finding the optimal folding of a given amino acid sequence. This problem has been studied in a classical abstract model, the HP model, where the protein is modeled as a sequence of H (hydrophobic) and P (polar) amino acids on a lattice. The objective is to find conformations maximizing H-H contacts. It is known that even in this reduced setting, the problem is intractable (NP-hard). In this work, we apply deep reinforcement learning (DRL) to the two-dimensional HP model. We can obtain the conformations of best known energies for benchmark HP sequences with lengths from 20 to 50. Our DRL is based on a deep Q-network (DQN). We find that a DQN based on long short-term memory (LSTM) architecture greatly enhances the RL learning ability and significantly improves the search process. DRL can sample the state space efficiently, without the need of manual heuristics. Experimentally we show that it can find multiple distinct best-known solutions per trial. This study demonstrates the effectiveness of deep reinforcement learning in the HP model for protein folding.

Hongyi Liu, Frederic Sala, Thomas Reps et al.

LLMs and LLM agents should improve when given feedback, but identifying when they are able to do so is difficult: feedback is heterogeneous, domain-specific, and difficult to control. We approach this challenge by asking LLMs to perform regular-expression induction, a classical symbolic learning problem where precise mechanisms for feedback exist in the form of counterexamples. In counterexample-guided learning, a learner (LLM) proposes candidate regular expressions from positive/negative-labeled strings, and the teacher (verifier) returns counterexamples showcasing the difference between the candidate and target languages. We identify novel counterexample-guided refinement strategies that enable effective regex learning, such as regularization and symbolic counterexample clusters. We also explore agentic strategies such as reflection and repair loops. Empirically, we find that verifier feedback substantially improves sample efficiency on challenging regex-induction tasks, reducing the number of labeled examples required and enabling learning of complex target expressions where standard prompting fails. For example, on the hardest task groups, our counterexample-guided framework improves success from 3.2% to 38.1% and from 38.9% to 74.1% on two different regex domains. These results suggest that LLMs can benefit from rich feedback beyond treating it as additional data, opening the door for robust verifier-guided methods for LLM-based program synthesis and formal reasoning.

Adithya Murali, Atharva Sehgal, Paul Krogmeier et al.

We consider the problem of combining machine learning models to perform higher-level cognitive tasks with clear specifications. We propose the novel problem of Visual Discrimination Puzzles (VDP) that requires finding interpretable discriminators that classify images according to a logical specification. Humans can solve these puzzles with ease and they give robust, verifiable, and interpretable discriminators as answers. We propose a compositional neurosymbolic framework that combines a neural network to detect objects and relationships with a symbolic learner that finds interpretable discriminators. We create large classes of VDP datasets involving natural and artificial images and show that our neurosymbolic framework performs favorably compared to several purely neural approaches.