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Information from coincidences

arXiv.org Machine Learning

We prove a single algebraic mixed coincidence identity that unifies a broad swath of information-theoretic variational results. For any family of priors $\{ฯ€_i\}$ and real exponents $\{ ฮฑ_i \}$, the log of the mixed count $E_{x\simฮฝ}\!\left[\prod_{i=1}^W ฯ€_i^{ฮฑ_i}(x)\right]$ is simultaneously a Boltzmann coincidence weight, an exponential-family normalizer, a maximum-entropy value, and a KL-barycenter optimum. The identity yields a unified derivation of classical cornerstones of information theory: concentration of empirical distributions (Sanov-type decompositions and Gibbs conditioning), hypothesis-testing error exponents (Chernoff information and its multi-way analogue), change-of-measure inequalities (Donsker-Varadhan and PAC-Bayes), and laws governing rare-pattern coincidences (Erdos-Renyi run-length, iterative guesswork, rate-distortion, and birthday thresholds). Each is recovered as a specialization of the same algebraic equality. It strictly generalizes the classical Renyi entropy and divergence variational formulas (one and two priors respectively) to a $W$-prior simplex, and holds for unnormalized and continuum-indexed priors. Among its consequences are an exact multi-prior PAC-Bayes penalty that subtracts an explicit "coincidence bonus" from the usual single-prior posterior penalty, and the asymptotic MAP error exponent for $W$-ary hypothesis testing as an edge-restricted simplex optimum. We demonstrate the calculus at scale on two large alphabets encoding richly modeled sequential languages: on language-model next-token predictives where we recover contrastive decoding, and on human genomic regulatory sequence where it separates correlated from diverse prior families along a sliding-window trace.


Quantile Reward Policy Optimization: Alignment with Pointwise Regression and Exact Partition Functions

Neural Information Processing Systems

Aligning large language models with pointwise absolute rewards has so far required online, on-policy algorithms such as PPO and GRPO. In contrast, simpler methods that can leverage offline or off-policy data, such as DPO and REBEL, are limited to learning from preference pairs or relative signals. To bridge this gap, we introduce Quantile Reward Policy Optimization (QRPO), which learns from pointwise absolute rewards while preserving the simplicity and offline applicability of DPO-like methods. QRPO uses quantile rewards to enable regression to the closed-form solution of the KL-regularized RL objective. This reward yields an analytically tractable partition function, removing the need for relative signals to cancel this term. Moreover, QRPO scales with increased compute to estimate quantile rewards, opening a new dimension for pre-computation scaling.


AMORLIP: Efficient Language-Image Pretraining via Amortization

Neural Information Processing Systems

Contrastive Language-Image Pretraining (CLIP) has demonstrated strong zero-shot performance across diverse downstream text-image tasks. Existing CLIP methods typically optimize a contrastive objective using negative samples drawn from each minibatch. To achieve robust representation learning, these methods require extremely large batch sizes and escalate computational demands to hundreds or even thousands of GPUs. Prior approaches to mitigate this issue often compromise downstream performance, prolong training duration, or face scalability challenges with very large datasets. To overcome these limitations, we propose AMORLIP, an efficient CLIP pretraining framework that amortizes expensive computations involved in contrastive learning through lightweight neural networks, which substantially improves training efficiency and performance. Leveraging insights from a spectral factorization of energy-based models, we introduce novel amortization objectives along with practical techniques to improve training stability. Extensive experiments across 38 downstream tasks demonstrate the superior zero-shot classification and retrieval capabilities of AMORLIP, consistently outperforming standard CLIP baselines with substantial relative improvements of up to 12.24%.




Approximate inference of marginals using the IBIA framework

Neural Information Processing Systems

Exact inference of marginals in probabilistic graphical models (PGM) is known to be intractable, necessitating the use of approximate methods. Most of the existing variational techniques perform iterative message passing in loopy graphs which is slow to converge for many benchmarks. In this paper, we propose a new algorithm for marginal inference that is based on the incremental build-infer-approximate (IBIA) paradigm. Our algorithm converts the PGM into a sequence of linked clique tree forests (SLCTF) with bounded clique sizes, and then uses a heuristic belief update algorithm to infer the marginals. For the special case of Bayesian networks, we show that if the incremental build step in IBIA uses the topological order of variables then (a) the prior marginals are consistent in all CTFs in the SLCTF and (b) the posterior marginals are consistent once all evidence variables are added to the SLCTF. In our approach, the belief propagation step is non-iterative and the accuracy-complexity trade-off is controlled using user-defined clique size bounds. Results for several benchmark sets from recent UAI competitions show that our method gives either better or comparable accuracy than existing variational and sampling based methods, with smaller runtimes.



Towards understanding retrosynthesis by energy-based models

Neural Information Processing Systems

Retrosynthesis is the process of identifying a set of reactants to synthesize a target molecule. It is critical to material design and drug discovery. Existing machine learning approaches based on language models and graph neural networks have achie rarely ved discussed, encouraging and rigorous results. Ho evaluations wever, the of inner these connections models are of lar these gely in models need.