We study the greedy (exploitation-only) algorithm in bandit problems with a known reward structure. We allow arbitrary finite reward structures, while prior work focused on a few specific ones. We fully characterize when the greedy algorithm asymptotically succeeds or fails, in the sense of sublinear vs. linear regret as a function of time. Our characterization identifies a partial identifiability property of the problem instance as the necessary and sufficient condition for the asymptotic success. Notably, once this property holds, the problem becomes easy--any algorithm will succeed (in the same sense as above), provided it satisfies a mild non-degeneracy condition. Our characterization extends to contextual bandits and interactive decision-making with arbitrary feedback. Examples demonstrating broad applicability and extensions to infinite reward structures are provided.

Predicting the binding affinity of protein-ligand complexes plays a vital role in drug discovery. Unfortunately, progress has been hindered by the lack of large-scale and high-quality binding affinity labels. The widely used PDBbind dataset has fewer than 20K labeled complexes. Self-supervised learning, especially graph contrastive learning (GCL), provides a unique opportunity to break the barrier by pretraining graph neural network models based on vast unlabeled complexes and fine-tuning the models on much fewer labeled complexes. However, the problem faces unique challenges, including a lack of a comprehensive unlabeled dataset with well-defined positive/negative complex pairs and the need to design GCL algorithms that incorporate the unique characteristics of such data.

Neural Information Processing Systems http://nips.cc/

How is Russia replenishing its military? What is a'coalition of the willing'? How China forgot promises and'debts' to Ukraine How are Europe, the US pulling apart on Ukraine? On Sunday, Russia launched its largest drone and missile attack since the war began, firing a total of 823 projectiles into Ukraine. The attack killed at least four people, wounded 44, and caused damage to a key building in Kyiv's government district, making it the first on the site since the full-fledged war began in February 2022.

Russia fired more than 6,000 drones on Ukraine in July, more than any other month since it launched its full-scale invasion in 2022, the AFP news agency and the Kyiv Independent reported. The drone attacks killed dozens of people and injured many more. They also damaged civilian targets, including many homes, a kindergarten and an ambulance. According to the AFP news agency, data published by Ukraine's air force showed that Russia fired 6,297 long-range drones into Ukraine last month, up by nearly 16 percent compared with June. The Kyiv Independent reported that Russia launched a record 6,129 Shahed-type drones in July, 14 times more than in the same month last year, when Russia launched just 423 drones.

Predicting the binding affinity of protein-ligand complexes plays a vital role in drug discovery. Unfortunately, progress has been hindered by the lack of large-scale and high-quality binding affinity labels. The widely used PDBbind dataset has fewer than 20K labeled complexes. Self-supervised learning, especially graph contrastive learning (GCL), provides a unique opportunity to break the barrier by pre-training graph neural network models based on vast unlabeled complexes and fine-tuning the models on much fewer labeled complexes. However, the problem faces unique challenges, including a lack of a comprehensive unlabeled dataset with well-defined positive/negative complex pairs and the need to design GCL algorithms that incorporate the unique characteristics of such data. To fill the gap, we propose DecoyDB, a large-scale, structure-aware dataset specifically designed for self-supervised GCL on protein-ligand complexes. DecoyDB consists of high-resolution ground truth complexes (less than 2.5 Angstrom) and diverse decoy structures with computationally generated binding poses that range from realistic to suboptimal (negative pairs). Each decoy is annotated with a Root Mean Squared Deviation (RMSD) from the native pose. We further design a customized GCL framework to pre-train graph neural networks based on DecoyDB and fine-tune the models with labels from PDBbind. Extensive experiments confirm that models pre-trained with DecoyDB achieve superior accuracy, label efficiency, and generalizability.

We analyze two open source deep reinforcement learning agents submitted to the CAGE Challenge 2 cyber defense challenge, where each competitor submitted an agent to defend a simulated network against each of several provided rules-based attack agents. We demonstrate that one can gain interpretability of agent successes and failures by simplifying the complex state and action spaces and by tracking important events, shedding light on the fine-grained behavior of both the defense and attack agents in each experimental scenario. By analyzing important events within an evaluation episode, we identify patterns in infiltration and clearing events that tell us how well the attacker and defender played their respective roles; for example, defenders were generally able to clear infiltrations within one or two timesteps of a host being exploited. By examining transitions in the environment's state caused by the various possible actions, we determine which actions tended to be effective and which did not, showing that certain important actions are between 40% and 99% ineffective. We examine how decoy services affect exploit success, concluding for instance that decoys block up to 94% of exploits that would directly grant privileged access to a host. Finally, we discuss the realism of the challenge and ways that the CAGE Challenge 4 has addressed some of our concerns.

We study the greedy (exploitation-only) algorithm in bandit problems with a known reward structure. We allow arbitrary finite reward structures, while prior work focused on a few specific ones. We fully characterize when the greedy algorithm asymptotically succeeds or fails, in the sense of sublinear vs. linear regret as a function of time. Our characterization identifies a partial identifiability property of the problem instance as the necessary and sufficient condition for the asymptotic success. Notably, once this property holds, the problem becomes easy--any algorithm will succeed (in the same sense as above), provided it satisfies a mild non-degeneracy condition. We further extend our characterization to contextual bandits and interactive decision-making with arbitrary feedback, and demonstrate its broad applicability across various examples. Keywords: Multi-armed bandits, contextual bandits, structured bandits, greedy algorithm, regret.

Memorization is a fundamental ability of Transformer-based Large Language Models, achieved through learning. In this paper, we propose a paradigm shift by designing an architecture to memorize text directly, bearing in mind the principle that memorization precedes learning. We introduce MeMo, a novel architecture for language modeling that explicitly memorizes sequences of tokens in layered associative memories. By design, MeMo offers transparency and the possibility of model editing, including forgetting texts. We experimented with the MeMo architecture, showing the memorization power of the one-layer and the multi-layer configurations.

Large language models (LLMs) are increasingly being harnessed to automate cyberattacks, making sophisticated exploits more accessible and scalable. In response, we propose a new defense strategy tailored to counter LLM-driven cyberattacks. We introduce Mantis, a defensive framework that exploits LLMs' susceptibility to adversarial inputs to undermine malicious operations. Upon detecting an automated cyberattack, Mantis plants carefully crafted inputs into system responses, leading the attacker's LLM to disrupt their own operations (passive defense) or even compromise the attacker's machine (active defense). By deploying purposefully vulnerable decoy services to attract the attacker and using dynamic prompt injections for the attacker's LLM, Mantis can autonomously hack back the attacker. In our experiments, Mantis consistently achieved over 95% effectiveness against automated LLM-driven attacks. To foster further research and collaboration, Mantis is available as an open-source tool: https://github.com/pasquini-dario/project_mantis