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 Learning Graphical Models


Expectation Backpropagation: Parameter-Free Training of Multilayer Neural Networks with Continuous or Discrete Weights

Neural Information Processing Systems

Multilayer Neural Networks (MNNs) are commonly trained using gradient descent-based methods, such as BackPropagation (BP). Inference in probabilistic graphical models is often done using variational Bayes methods, such as Expectation Propagation (EP). We show how an EP based approach can also be used to train deterministic MNNs. Specifically, we approximate the posterior of the weights given the data using a "mean-field" factorized distribution, in an online setting. Using online EP and the central limit theorem we find an analytical approximation to the Bayes update of this posterior, as well as the resulting Bayes estimates of the weights and outputs. Despite a different origin, the resulting algorithm, Expectation BackPropagation (EBP), is very similar to BP in form and efficiency. However, it has several additional advantages: (1) Training is parameter-free, given initial conditions (prior) and the MNN architecture. This is useful for large-scale problems, where parameter tuning is a major challenge.


Fast Bidirectional Probability Estimation in Markov Models

Neural Information Processing Systems

We develop a new bidirectional algorithm for estimating Markov chain multi-step transition probabilities: given a Markov chain, we want to estimate the probability of hitting a given target state in \ell steps after starting from a given source distribution. Given the target state t, we use a (reverse) local power iteration to construct an expanded target distribution', which has the same mean as the quantity we want to estimate, but a smaller variance -- this can then be sampled efficiently by a Monte Carlo algorithm. Our method extends to any Markov chain on a discrete (finite or countable) state-space, and can be extended to compute functions of multi-step transition probabilities such as PageRank, graph diffusions, hitting/return times, etc. Our main result is that in sparse' Markov Chains -- wherein the number of transitions between states is comparable to the number of states -- the running time of our algorithm for a uniform-random target node is order-wise smaller than Monte Carlo and power iteration based algorithms; in particular, our method can estimate a probability p using only O(1/\sqrt{p}) running time.


CLOOB: Modern Hopfield Networks with InfoLOOB Outperform CLIP

Neural Information Processing Systems

CLIP yielded impressive results on zero-shot transfer learning tasks and is considered as a foundation model like BERT or GPT3. CLIP vision models that have a rich representation are pre-trained using the InfoNCE objective and natural language supervision before they are fine-tuned on particular tasks. Though CLIP excels at zero-shot transfer learning, it suffers from an explaining away problem, that is, it focuses on one or few features, while neglecting other relevant features. This problem is caused by insufficiently extracting the covariance structure in the original multi-modal data. We suggest to use modern Hopfield networks to tackle the problem of explaining away. Their retrieved embeddings have an enriched covariance structure derived from co-occurrences of features in the stored embeddings.


Review for NeurIPS paper: Active Structure Learning of Causal DAGs via Directed Clique Trees

Neural Information Processing Systems

Additional Feedback: - Line 42: "MEC" used before defined - Line 63: Definition of directed cycle looks weird, possibly should be *- instead of *-*? (By this definition, e.g. I.e. is it the actual m(D), or the lower bound provided by Theorem 2? - Appendix, lines 591-593: Please elaborate on the clique intervention lower bound, or provide a reference. The lower bound is indeed kind of nice, but I still disagree with the authors on the clarity of presentation. The claim itself can be presented as a simple combinatorial statement, and the proof does not use any advanced techniques. In particular, I would encourage the authors to make sure that the proofs in the main paper can be followed without reference to the appendix or prior work.


Review for NeurIPS paper: Log-Likelihood Ratio Minimizing Flows: Towards Robust and Quantifiable Neural Distribution Alignment

Neural Information Processing Systems

Weaknesses: - Central parts of the paper are unclear eg. in line 80 \log P_M (X; \theta) should be the negative cross entropy. The only quantitative results are on adaptation from USPS to MNIST in line 268. However, prior work [1] achieves 96.5% accuracy in comparison to the 55% accuracy achieved by the proposed method. It would be desirable to evaluate the proposed approach on the more complex Facades/Maps/Cityscapes using the MSE metric to facilitate comparison with AlignFlow and [1]. It is unclear how the inductive bias from each of the datasets influence the shared space.


Review for NeurIPS paper: Log-Likelihood Ratio Minimizing Flows: Towards Robust and Quantifiable Neural Distribution Alignment

Neural Information Processing Systems

After discussion, all reviewers, and the meta-reviewer, agree that the paper should be accepted. As the authors show, the method in its current form may not scale well to higher dimensions. While a method without this limitation would obviously be preferable, the reviewers agree that this limitation can be addressed in future work, where the connection with GANs that the authors establish may be helpful.


Managing Geological Uncertainty in Critical Mineral Supply Chains: A POMDP Approach with Application to U.S. Lithium Resources

arXiv.org Artificial Intelligence

The world is entering an unprecedented period of critical mineral demand, driven by the global transition to renewable energy technologies and electric vehicles. This transition presents unique challenges in mineral resource development, particularly due to geological uncertainty-a key characteristic that traditional supply chain optimization approaches do not adequately address. To tackle this challenge, we propose a novel application of Partially Observable Markov Decision Processes (POMDPs) that optimizes critical mineral sourcing decisions while explicitly accounting for the dynamic nature of geological uncertainty. Through a case study of the U.S. lithium supply chain, we demonstrate that POMDP-based policies achieve superior outcomes compared to traditional approaches, especially when initial reserve estimates are imperfect. Our framework provides quantitative insights for balancing domestic resource development with international supply diversification, offering policymakers a systematic approach to strategic decision-making in critical mineral supply chains.


Refining Positive and Toxic Samples for Dual Safety Self-Alignment of LLMs with Minimal Human Interventions

arXiv.org Artificial Intelligence

Recent AI agents, such as ChatGPT and LLaMA, primarily rely on instruction tuning and reinforcement learning to calibrate the output of large language models (LLMs) with human intentions, ensuring the outputs are harmless and helpful. Existing methods heavily depend on the manual annotation of high-quality positive samples, while contending with issues such as noisy labels and minimal distinctions between preferred and dispreferred response data. However, readily available toxic samples with clear safety distinctions are often filtered out, removing valuable negative references that could aid LLMs in safety alignment. In response, we propose PT-ALIGN, a novel safety self-alignment approach that minimizes human supervision by automatically refining positive and toxic samples and performing fine-grained dual instruction tuning. Positive samples are harmless responses, while toxic samples deliberately contain extremely harmful content, serving as a new supervisory signals. Specifically, we utilize LLM itself to iteratively generate and refine training instances by only exploring fewer than 50 human annotations. We then employ two losses, i.e., maximum likelihood estimation (MLE) and fine-grained unlikelihood training (UT), to jointly learn to enhance the LLM's safety. The MLE loss encourages an LLM to maximize the generation of harmless content based on positive samples. Conversely, the fine-grained UT loss guides the LLM to minimize the output of harmful words based on negative samples at the token-level, thereby guiding the model to decouple safety from effectiveness, directing it toward safer fine-tuning objectives, and increasing the likelihood of generating helpful and reliable content. Experiments on 9 popular open-source LLMs demonstrate the effectiveness of our PT-ALIGN for safety alignment, while maintaining comparable levels of helpfulness and usefulness.


PIPA: Preference Alignment as Prior-Informed Statistical Estimation

arXiv.org Machine Learning

Offline preference alignment for language models such as Direct Preference Optimization (DPO) is favored for its effectiveness and simplicity, eliminating the need for costly reinforcement learning. Various offline algorithms have been developed for different data settings, yet they lack a unified understanding. In this study, we introduce Pior-Informed Preference Alignment (PIPA), a unified, RL-free probabilistic framework that formulates language model preference alignment as a Maximum Likelihood Estimation (MLE) problem with prior constraints. This method effectively accommodates both paired and unpaired data, as well as answer and step-level annotations. We illustrate that DPO and KTO are special cases with different prior constraints within our framework. By integrating different types of prior information, we developed two variations of PIPA: PIPA-M and PIPA-N. Both algorithms demonstrate a $3\sim10\%$ performance enhancement on the GSM8K and MATH benchmarks across all configurations, achieving these gains without additional training or computational costs compared to existing algorithms.


Enhancing Hallucination Detection through Noise Injection

arXiv.org Artificial Intelligence

Large Language Models (LLMs) are prone to generating plausible yet incorrect responses, known as hallucinations. Effectively detecting hallucinations is therefore crucial for the safe deployment of LLMs. Recent research has linked hallucinations to model uncertainty, suggesting that hallucinations can be detected by measuring dispersion over answer distributions obtained from a set of samples drawn from a model. While drawing from the distribution over tokens defined by the model is a natural way to obtain samples, in this work, we argue that it is sub-optimal for the purpose of detecting hallucinations. We show that detection can be improved significantly by taking into account model uncertainty in the Bayesian sense. To this end, we propose a very simple and efficient approach that perturbs an appropriate subset of model parameters, or equivalently hidden unit activations, during sampling. We demonstrate its effectiveness across a wide range of datasets and model architectures.